NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
516246 |
1lud   |
5396 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lud
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 1985
_Distance_constraint_stats_list.Viol_count 463
_Distance_constraint_stats_list.Viol_total 105.025
_Distance_constraint_stats_list.Viol_max 0.440
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0095
_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 THR 0.010 0.010 1 0 "[ . 1 . 2 ]"
1 2 ALA 0.014 0.010 1 0 "[ . 1 . 2 ]"
1 3 PHE 0.067 0.011 14 0 "[ . 1 . 2 ]"
1 4 LEU 0.032 0.009 2 0 "[ . 1 . 2 ]"
1 5 TRP 0.179 0.024 1 0 "[ . 1 . 2 ]"
1 6 ALA 0.004 0.004 18 0 "[ . 1 . 2 ]"
1 7 GLN 0.015 0.008 23 0 "[ . 1 . 2 ]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 ARG 0.039 0.017 5 0 "[ . 1 . 2 ]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 GLY 0.041 0.017 5 0 "[ . 1 . 2 ]"
1 12 LEU 0.271 0.033 3 0 "[ . 1 . 2 ]"
1 13 ILE 0.156 0.024 1 0 "[ . 1 . 2 ]"
1 14 GLY 0.258 0.033 3 0 "[ . 1 . 2 ]"
1 15 LYS 0.180 0.027 5 0 "[ . 1 . 2 ]"
1 16 ASP 0.009 0.003 10 0 "[ . 1 . 2 ]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 HIS 0.169 0.027 5 0 "[ . 1 . 2 ]"
1 19 LEU 0.037 0.008 24 0 "[ . 1 . 2 ]"
1 20 PRO 0.020 0.016 7 0 "[ . 1 . 2 ]"
1 21 TRP 0.161 0.017 11 0 "[ . 1 . 2 ]"
1 22 HIS 0.000 0.000 21 0 "[ . 1 . 2 ]"
1 23 LEU 0.081 0.017 11 0 "[ . 1 . 2 ]"
1 24 PRO 0.000 0.000 21 0 "[ . 1 . 2 ]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 LEU 0.001 0.001 4 0 "[ . 1 . 2 ]"
1 28 HIS 0.003 0.002 5 0 "[ . 1 . 2 ]"
1 29 TYR 0.009 0.002 22 0 "[ . 1 . 2 ]"
1 30 PHE 0.006 0.006 7 0 "[ . 1 . 2 ]"
1 31 ARG 0.008 0.006 12 0 "[ . 1 . 2 ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 GLN 0.026 0.020 23 0 "[ . 1 . 2 ]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 VAL 0.046 0.016 10 0 "[ . 1 . 2 ]"
1 36 GLY 0.013 0.007 15 0 "[ . 1 . 2 ]"
1 37 LYS 0.050 0.010 1 0 "[ . 1 . 2 ]"
1 38 ILE 0.185 0.021 17 0 "[ . 1 . 2 ]"
1 39 MET 0.012 0.008 9 0 "[ . 1 . 2 ]"
1 40 VAL 0.009 0.005 5 0 "[ . 1 . 2 ]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 GLY 0.115 0.030 16 0 "[ . 1 . 2 ]"
1 43 ARG 0.014 0.010 21 0 "[ . 1 . 2 ]"
1 44 ARG 0.197 0.056 23 0 "[ . 1 . 2 ]"
1 45 THR 0.017 0.006 24 0 "[ . 1 . 2 ]"
1 46 TYR 0.049 0.025 13 0 "[ . 1 . 2 ]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 PHE 0.259 0.020 16 0 "[ . 1 . 2 ]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 LYS 0.069 0.012 13 0 "[ . 1 . 2 ]"
1 52 ARG 0.113 0.025 13 0 "[ . 1 . 2 ]"
1 53 PRO 0.011 0.005 13 0 "[ . 1 . 2 ]"
1 54 LEU 0.281 0.020 16 0 "[ . 1 . 2 ]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ARG 0.387 0.030 18 0 "[ . 1 . 2 ]"
1 58 THR 0.047 0.012 3 0 "[ . 1 . 2 ]"
1 59 ASN 0.053 0.008 18 0 "[ . 1 . 2 ]"
1 60 VAL 0.004 0.004 4 0 "[ . 1 . 2 ]"
1 61 VAL 0.010 0.010 10 0 "[ . 1 . 2 ]"
1 62 LEU 0.045 0.012 15 0 "[ . 1 . 2 ]"
1 63 THR 0.011 0.005 10 0 "[ . 1 . 2 ]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 GLN 0.063 0.010 21 0 "[ . 1 . 2 ]"
1 66 GLU 0.002 0.002 21 0 "[ . 1 . 2 ]"
1 67 ASP 0.004 0.002 12 0 "[ . 1 . 2 ]"
1 68 TYR 0.051 0.008 11 0 "[ . 1 . 2 ]"
1 69 GLN 0.004 0.002 12 0 "[ . 1 . 2 ]"
1 70 ALA 0.007 0.007 13 0 "[ . 1 . 2 ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 GLY 0.009 0.005 13 0 "[ . 1 . 2 ]"
1 73 ALA 0.010 0.010 10 0 "[ . 1 . 2 ]"
1 74 VAL 0.025 0.009 14 0 "[ . 1 . 2 ]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 VAL 0.016 0.007 19 0 "[ . 1 . 2 ]"
1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 ASP 0.046 0.012 15 0 "[ . 1 . 2 ]"
1 79 VAL 0.037 0.026 22 0 "[ . 1 . 2 ]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 ALA 0.017 0.007 19 0 "[ . 1 . 2 ]"
1 82 VAL 0.048 0.039 8 0 "[ . 1 . 2 ]"
1 83 PHE 0.082 0.039 8 0 "[ . 1 . 2 ]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 TYR 0.068 0.012 4 0 "[ . 1 . 2 ]"
1 86 ALA 0.005 0.005 3 0 "[ . 1 . 2 ]"
1 87 LYS 0.014 0.010 13 0 "[ . 1 . 2 ]"
1 88 GLN 0.014 0.010 13 0 "[ . 1 . 2 ]"
1 89 HIS 0.123 0.021 17 0 "[ . 1 . 2 ]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 92 GLN 0.016 0.008 3 0 "[ . 1 . 2 ]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 VAL 0.005 0.005 5 0 "[ . 1 . 2 ]"
1 96 ILE 0.010 0.010 7 0 "[ . 1 . 2 ]"
1 97 ALA 0.033 0.009 2 0 "[ . 1 . 2 ]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 GLY 0.195 0.056 23 0 "[ . 1 . 2 ]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 GLN 0.061 0.057 5 0 "[ . 1 . 2 ]"
1 102 ILE 0.101 0.030 16 0 "[ . 1 . 2 ]"
1 103 PHE 0.090 0.019 14 0 "[ . 1 . 2 ]"
1 104 THR 0.014 0.014 11 0 "[ . 1 . 2 ]"
1 105 ALA 0.014 0.014 11 0 "[ . 1 . 2 ]"
1 106 PHE 0.004 0.002 3 0 "[ . 1 . 2 ]"
1 107 LYS 0.000 0.000 14 0 "[ . 1 . 2 ]"
1 108 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 109 ASP 0.011 0.009 16 0 "[ . 1 . 2 ]"
1 110 VAL 0.004 0.004 18 0 "[ . 1 . 2 ]"
1 111 ASP 0.015 0.011 21 0 "[ . 1 . 2 ]"
1 112 THR 0.023 0.008 6 0 "[ . 1 . 2 ]"
1 113 LEU 0.994 0.440 14 0 "[ . 1 . 2 ]"
1 114 LEU 0.006 0.003 18 0 "[ . 1 . 2 ]"
1 115 VAL 0.006 0.004 20 0 "[ . 1 . 2 ]"
1 116 THR 0.006 0.002 22 0 "[ . 1 . 2 ]"
1 117 ARG 0.012 0.006 19 0 "[ . 1 . 2 ]"
1 118 LEU 0.121 0.022 20 0 "[ . 1 . 2 ]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 121 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 122 PHE 0.072 0.015 3 0 "[ . 1 . 2 ]"
1 123 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 125 ASP 0.018 0.007 6 0 "[ . 1 . 2 ]"
1 126 THR 0.027 0.009 16 0 "[ . 1 . 2 ]"
1 127 LYS 0.018 0.014 18 0 "[ . 1 . 2 ]"
1 128 MET 0.072 0.019 14 0 "[ . 1 . 2 ]"
1 129 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 130 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 131 LEU 0.040 0.011 14 0 "[ . 1 . 2 ]"
1 132 ASN 0.002 0.002 13 0 "[ . 1 . 2 ]"
1 133 TRP 0.005 0.003 21 0 "[ . 1 . 2 ]"
1 134 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 136 PHE 0.058 0.014 10 0 "[ . 1 . 2 ]"
1 137 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 138 LYS 0.017 0.007 22 0 "[ . 1 . 2 ]"
1 139 VAL 0.011 0.007 11 0 "[ . 1 . 2 ]"
1 140 SER 0.031 0.031 23 0 "[ . 1 . 2 ]"
1 141 SER 0.162 0.043 3 0 "[ . 1 . 2 ]"
1 142 ARG 0.006 0.006 18 0 "[ . 1 . 2 ]"
1 143 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 144 VAL 0.079 0.016 10 0 "[ . 1 . 2 ]"
1 145 GLU 0.047 0.026 5 0 "[ . 1 . 2 ]"
1 146 ASP 0.060 0.026 5 0 "[ . 1 . 2 ]"
1 147 THR 0.000 0.000 12 0 "[ . 1 . 2 ]"
1 148 ASN 0.014 0.007 15 0 "[ . 1 . 2 ]"
1 149 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 150 ALA 0.013 0.007 15 0 "[ . 1 . 2 ]"
1 151 LEU 0.177 0.022 20 0 "[ . 1 . 2 ]"
1 152 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 153 HIS 0.067 0.013 9 0 "[ . 1 . 2 ]"
1 154 THR 0.011 0.004 18 0 "[ . 1 . 2 ]"
1 155 TYR 0.009 0.006 18 0 "[ . 1 . 2 ]"
1 156 GLU 0.051 0.012 6 0 "[ . 1 . 2 ]"
1 157 VAL 0.022 0.010 21 0 "[ . 1 . 2 ]"
1 158 TRP 0.026 0.007 22 0 "[ . 1 . 2 ]"
1 159 GLN 0.020 0.007 11 0 "[ . 1 . 2 ]"
1 160 LYS 0.933 0.440 14 0 "[ . 1 . 2 ]"
1 161 LYS 0.042 0.014 10 0 "[ . 1 . 2 ]"
1 162 ALA 0.000 0.000 . 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 2 ALA H 1 96 ILE H 4.500 . 4.500 2.976 2.747 3.345 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 PHE H 1 112 THR H 4.500 . 4.500 3.801 3.612 4.054 . 0 0 "[ . 1 . 2 ]" 1
3 1 3 PHE H 1 114 LEU H 5.500 . 5.500 3.420 3.210 3.592 . 0 0 "[ . 1 . 2 ]" 1
4 1 5 TRP H 1 116 THR H 5.500 . 5.500 4.436 4.250 4.567 . 0 0 "[ . 1 . 2 ]" 1
5 1 7 GLN H 1 116 THR H 4.500 . 4.500 2.926 2.734 3.171 . 0 0 "[ . 1 . 2 ]" 1
6 1 9 ARG H 1 122 PHE H 5.500 . 5.500 4.342 3.909 4.808 . 0 0 "[ . 1 . 2 ]" 1
7 1 16 ASP H 1 125 ASP H 5.500 . 5.500 4.720 4.046 5.350 . 0 0 "[ . 1 . 2 ]" 1
8 1 36 GLY H 1 57 ARG H 6.000 . 6.000 5.345 5.114 5.599 . 0 0 "[ . 1 . 2 ]" 1
9 1 38 ILE H 1 95 VAL H 5.500 . 5.500 3.617 3.310 4.128 . 0 0 "[ . 1 . 2 ]" 1
10 1 39 MET H 1 58 THR H 5.500 . 5.500 4.939 4.444 5.356 . 0 0 "[ . 1 . 2 ]" 1
11 1 39 MET H 1 60 VAL H 5.500 . 5.500 3.282 3.009 3.761 . 0 0 "[ . 1 . 2 ]" 1
12 1 40 VAL H 1 95 VAL H 4.500 . 4.500 3.948 3.650 4.505 0.005 5 0 "[ . 1 . 2 ]" 1
13 1 41 VAL H 1 62 LEU H 5.000 . 5.000 4.089 3.824 4.397 . 0 0 "[ . 1 . 2 ]" 1
14 1 42 GLY H 1 99 GLY H 5.500 . 5.500 2.686 2.226 3.154 . 0 0 "[ . 1 . 2 ]" 1
15 1 44 ARG H 1 99 GLY H 5.500 . 5.500 5.175 4.775 5.556 0.056 23 0 "[ . 1 . 2 ]" 1
16 1 45 THR H 1 99 GLY H 5.500 . 5.500 3.874 3.473 4.472 . 0 0 "[ . 1 . 2 ]" 1
17 1 61 VAL H 1 74 VAL H 5.500 . 5.500 4.407 3.393 4.879 . 0 0 "[ . 1 . 2 ]" 1
18 1 63 THR H 1 76 VAL H 5.500 . 5.500 4.099 3.939 4.297 . 0 0 "[ . 1 . 2 ]" 1
19 1 113 LEU H 1 158 TRP H 4.500 . 4.500 2.658 2.260 3.148 . 0 0 "[ . 1 . 2 ]" 1
20 1 113 LEU H 1 160 LYS H 5.500 . 5.500 5.353 4.849 5.940 0.440 14 0 "[ . 1 . 2 ]" 1
21 1 115 VAL H 1 156 GLU H 4.500 . 4.500 3.277 2.794 3.697 . 0 0 "[ . 1 . 2 ]" 1
22 1 117 ARG H 1 154 THR H 4.500 . 4.500 2.841 2.682 3.039 . 0 0 "[ . 1 . 2 ]" 1
23 1 137 THR H 1 159 GLN H 3.500 . 3.500 2.499 2.261 2.710 . 0 0 "[ . 1 . 2 ]" 1
24 1 137 THR H 1 161 LYS H 5.500 . 5.500 4.489 4.167 4.928 . 0 0 "[ . 1 . 2 ]" 1
25 1 139 VAL H 1 157 VAL H 5.500 . 5.500 4.352 4.096 4.502 . 0 0 "[ . 1 . 2 ]" 1
26 1 139 VAL H 1 159 GLN H 5.500 . 5.500 4.064 3.849 4.337 . 0 0 "[ . 1 . 2 ]" 1
27 1 140 SER H 1 157 VAL H 4.500 . 4.500 3.291 3.064 3.456 . 0 0 "[ . 1 . 2 ]" 1
28 1 142 ARG H 1 155 TYR H 5.500 . 5.500 2.789 2.575 2.951 . 0 0 "[ . 1 . 2 ]" 1
29 1 144 VAL H 1 153 HIS H 5.500 . 5.500 3.813 3.402 4.085 . 0 0 "[ . 1 . 2 ]" 1
30 1 146 ASP H 1 152 THR H 5.500 . 5.500 4.686 4.180 4.846 . 0 0 "[ . 1 . 2 ]" 1
31 1 1 THR HA 1 94 LEU H 4.500 . 4.500 3.520 3.149 3.892 . 0 0 "[ . 1 . 2 ]" 1
32 1 2 ALA H 1 95 VAL HA 3.500 . 3.500 2.365 2.190 2.607 . 0 0 "[ . 1 . 2 ]" 1
33 1 2 ALA HA 1 111 ASP H 5.500 . 5.500 2.890 2.738 3.062 . 0 0 "[ . 1 . 2 ]" 1
34 1 2 ALA HA 1 112 THR H 3.500 . 3.500 2.137 2.001 2.295 . 0 0 "[ . 1 . 2 ]" 1
35 1 3 PHE HA 1 96 ILE H 3.500 . 3.500 3.172 2.937 3.306 . 0 0 "[ . 1 . 2 ]" 1
36 1 3 PHE H 1 113 LEU HA 3.500 . 3.500 2.314 2.177 2.481 . 0 0 "[ . 1 . 2 ]" 1
37 1 4 LEU H 1 97 ALA HA 4.500 . 4.500 3.559 3.319 3.921 . 0 0 "[ . 1 . 2 ]" 1
38 1 4 LEU HA 1 114 LEU H 4.000 . 4.000 3.105 3.001 3.278 . 0 0 "[ . 1 . 2 ]" 1
39 1 5 TRP H 1 115 VAL HA 3.500 . 3.500 2.974 2.783 3.167 . 0 0 "[ . 1 . 2 ]" 1
40 1 6 ALA HA 1 116 THR H 3.500 . 3.500 1.976 1.890 2.138 . 0 0 "[ . 1 . 2 ]" 1
41 1 7 GLN H 1 117 ARG HA 4.500 . 4.500 3.548 3.324 4.037 . 0 0 "[ . 1 . 2 ]" 1
42 1 8 ASP H 1 13 ILE HA 5.500 . 5.500 4.727 4.419 4.894 . 0 0 "[ . 1 . 2 ]" 1
43 1 9 ARG H 1 119 ALA HA 5.500 . 5.500 4.836 4.413 5.165 . 0 0 "[ . 1 . 2 ]" 1
44 1 9 ARG H 1 121 SER HA 4.500 . 4.500 3.186 2.923 3.728 . 0 0 "[ . 1 . 2 ]" 1
45 1 11 GLY QA 1 128 MET H 5.500 . 5.500 4.314 3.879 4.464 . 0 0 "[ . 1 . 2 ]" 1
46 1 12 LEU HA 1 128 MET H 4.500 . 4.500 3.672 3.321 3.917 . 0 0 "[ . 1 . 2 ]" 1
47 1 12 LEU H 1 127 LYS HA 5.500 . 5.500 5.303 5.052 5.514 0.014 18 0 "[ . 1 . 2 ]" 1
48 1 12 LEU HA 1 127 LYS H 5.500 . 5.500 5.197 4.827 5.433 . 0 0 "[ . 1 . 2 ]" 1
49 1 13 ILE H 1 127 LYS HA 3.500 . 3.500 2.642 2.256 2.887 . 0 0 "[ . 1 . 2 ]" 1
50 1 14 GLY H 1 127 LYS HA 5.500 . 5.500 4.043 3.459 4.421 . 0 0 "[ . 1 . 2 ]" 1
51 1 15 LYS HA 1 125 ASP H 4.000 . 4.000 3.460 3.021 3.986 . 0 0 "[ . 1 . 2 ]" 1
52 1 15 LYS HA 1 126 THR H 4.500 . 4.500 3.657 3.070 4.486 . 0 0 "[ . 1 . 2 ]" 1
53 1 36 GLY H 1 57 ARG HA 3.500 . 3.500 2.522 2.295 2.713 . 0 0 "[ . 1 . 2 ]" 1
54 1 37 LYS H 1 57 ARG HA 4.500 . 4.500 4.153 3.887 4.425 . 0 0 "[ . 1 . 2 ]" 1
55 1 37 LYS HA 1 93 GLU H 4.500 . 4.500 3.434 3.179 3.661 . 0 0 "[ . 1 . 2 ]" 1
56 1 38 ILE H 1 94 LEU HA 4.500 . 4.500 3.825 3.521 4.050 . 0 0 "[ . 1 . 2 ]" 1
57 1 35 VAL HA 1 57 ARG H 6.500 . 6.500 6.118 5.796 6.397 . 0 0 "[ . 1 . 2 ]" 1
58 1 35 VAL HA 1 57 ARG QB 4.500 . 4.500 3.932 3.590 4.150 . 0 0 "[ . 1 . 2 ]" 1
59 1 38 ILE HA 1 58 THR H 5.500 . 5.500 4.571 4.154 5.186 . 0 0 "[ . 1 . 2 ]" 1
60 1 39 MET HA 1 95 VAL H 4.500 . 4.500 3.785 3.472 4.193 . 0 0 "[ . 1 . 2 ]" 1
61 1 40 VAL HA 1 60 VAL H 3.500 . 3.500 3.228 2.955 3.504 0.004 4 0 "[ . 1 . 2 ]" 1
62 1 40 VAL H 1 96 ILE HA 3.500 . 3.500 2.683 2.425 2.883 . 0 0 "[ . 1 . 2 ]" 1
63 1 41 VAL H 1 61 VAL HA 4.000 . 4.000 3.034 2.799 3.474 . 0 0 "[ . 1 . 2 ]" 1
64 1 41 VAL HA 1 97 ALA H 5.500 . 5.500 3.701 3.201 4.092 . 0 0 "[ . 1 . 2 ]" 1
65 1 41 VAL HA 1 98 GLY H 5.500 . 5.500 3.700 3.224 3.943 . 0 0 "[ . 1 . 2 ]" 1
66 1 41 VAL HA 1 99 GLY H 5.500 . 5.500 4.144 3.848 4.470 . 0 0 "[ . 1 . 2 ]" 1
67 1 42 GLY QA 1 62 LEU H 3.500 . 3.500 2.801 2.455 3.369 . 0 0 "[ . 1 . 2 ]" 1
68 1 42 GLY QA 1 102 ILE H 5.500 . 5.500 4.486 4.177 4.790 . 0 0 "[ . 1 . 2 ]" 1
69 1 43 ARG H 1 63 THR HA 5.500 . 5.500 3.665 3.470 3.948 . 0 0 "[ . 1 . 2 ]" 1
70 1 61 VAL H 1 75 VAL HA 4.000 . 4.000 2.796 2.400 3.168 . 0 0 "[ . 1 . 2 ]" 1
71 1 63 THR H 1 77 HIS HA 3.500 . 3.500 2.737 2.501 2.963 . 0 0 "[ . 1 . 2 ]" 1
72 1 60 VAL HA 1 75 VAL H 6.000 . 6.000 4.817 4.428 5.316 . 0 0 "[ . 1 . 2 ]" 1
73 1 98 GLY QA 1 103 PHE H 5.500 . 5.500 3.232 3.070 3.520 . 0 0 "[ . 1 . 2 ]" 1
74 1 111 ASP HA 1 160 LYS H 4.500 . 4.500 3.464 3.153 3.699 . 0 0 "[ . 1 . 2 ]" 1
75 1 112 THR HA 1 158 TRP H 5.500 . 5.500 4.423 4.071 4.843 . 0 0 "[ . 1 . 2 ]" 1
76 1 113 LEU H 1 157 VAL HA 5.500 . 5.500 4.529 3.959 5.130 . 0 0 "[ . 1 . 2 ]" 1
77 1 114 LEU HA 1 158 TRP H 5.500 . 5.500 3.687 3.316 4.018 . 0 0 "[ . 1 . 2 ]" 1
78 1 115 VAL H 1 157 VAL HA 5.500 . 5.500 3.796 3.369 4.106 . 0 0 "[ . 1 . 2 ]" 1
79 1 116 THR HA 1 156 GLU H 4.500 . 4.500 3.307 2.785 3.793 . 0 0 "[ . 1 . 2 ]" 1
80 1 117 ARG H 1 155 TYR HA 5.500 . 5.500 3.903 3.601 4.053 . 0 0 "[ . 1 . 2 ]" 1
81 1 118 LEU HA 1 154 THR H 4.500 . 4.500 3.775 3.517 3.963 . 0 0 "[ . 1 . 2 ]" 1
82 1 119 ALA H 1 153 HIS HA 4.500 . 4.500 3.248 2.850 3.466 . 0 0 "[ . 1 . 2 ]" 1
83 1 120 GLY H 1 150 ALA HA 4.500 . 4.500 2.504 2.177 2.943 . 0 0 "[ . 1 . 2 ]" 1
84 1 121 SER H 1 150 ALA HA 5.500 . 5.500 4.774 4.475 5.078 . 0 0 "[ . 1 . 2 ]" 1
85 1 136 PHE HA 1 161 LYS H 3.500 . 3.500 3.120 2.770 3.453 . 0 0 "[ . 1 . 2 ]" 1
86 1 137 THR H 1 158 TRP HA 5.500 . 5.500 4.088 3.899 4.255 . 0 0 "[ . 1 . 2 ]" 1
87 1 137 THR H 1 160 LYS HA 4.500 . 4.500 4.042 3.919 4.183 . 0 0 "[ . 1 . 2 ]" 1
88 1 138 LYS HA 1 159 GLN H 4.500 . 4.500 3.861 3.715 4.024 . 0 0 "[ . 1 . 2 ]" 1
89 1 138 LYS H 1 158 TRP HA 5.500 . 5.500 4.241 4.194 4.334 . 0 0 "[ . 1 . 2 ]" 1
90 1 139 VAL H 1 158 TRP HA 4.000 . 4.000 2.526 2.259 2.776 . 0 0 "[ . 1 . 2 ]" 1
91 1 140 SER H 1 156 GLU HA 5.500 . 5.500 5.096 4.844 5.248 . 0 0 "[ . 1 . 2 ]" 1
92 1 140 SER H 1 158 TRP HA 5.500 . 5.500 4.344 4.068 4.539 . 0 0 "[ . 1 . 2 ]" 1
93 1 142 ARG H 1 154 THR HA 6.000 . 6.000 4.824 4.551 5.011 . 0 0 "[ . 1 . 2 ]" 1
94 1 143 THR H 1 154 THR HA 6.500 . 6.500 4.934 4.764 5.087 . 0 0 "[ . 1 . 2 ]" 1
95 1 144 VAL H 1 154 THR HA 4.500 . 4.500 2.810 2.610 3.068 . 0 0 "[ . 1 . 2 ]" 1
96 1 146 ASP H 1 152 THR HA 3.500 . 3.500 3.103 2.207 3.355 . 0 0 "[ . 1 . 2 ]" 1
97 1 145 GLU HA 1 153 HIS H 4.500 . 4.500 3.644 3.441 3.975 . 0 0 "[ . 1 . 2 ]" 1
98 1 143 THR HA 1 155 TYR H 5.000 . 5.000 3.358 3.126 3.605 . 0 0 "[ . 1 . 2 ]" 1
99 1 2 ALA HA 1 112 THR HA 5.500 . 5.500 4.490 4.389 4.596 . 0 0 "[ . 1 . 2 ]" 1
100 1 4 LEU HA 1 114 LEU HA 5.500 . 5.500 4.560 4.473 4.636 . 0 0 "[ . 1 . 2 ]" 1
101 1 6 ALA HA 1 115 VAL HA 5.500 . 5.500 3.666 3.520 3.869 . 0 0 "[ . 1 . 2 ]" 1
102 1 6 ALA HA 1 116 THR HA 5.500 . 5.500 4.272 4.043 4.439 . 0 0 "[ . 1 . 2 ]" 1
103 1 7 GLN HA 1 13 ILE HA 3.500 . 3.500 3.171 2.901 3.502 0.002 19 0 "[ . 1 . 2 ]" 1
104 1 12 LEU HA 1 127 LYS HA 3.000 . 3.000 2.553 2.296 2.832 . 0 0 "[ . 1 . 2 ]" 1
105 1 41 VAL HA 1 96 ILE HA 6.000 . 6.000 5.469 4.937 5.896 . 0 0 "[ . 1 . 2 ]" 1
106 1 62 LEU HA 1 77 HIS HA 4.500 . 4.500 3.826 3.517 4.170 . 0 0 "[ . 1 . 2 ]" 1
107 1 118 LEU HA 1 153 HIS HA 3.500 . 3.500 2.230 1.936 2.474 . 0 0 "[ . 1 . 2 ]" 1
108 1 119 ALA HA 1 153 HIS HA 6.500 . 6.500 4.963 4.712 5.422 . 0 0 "[ . 1 . 2 ]" 1
109 1 136 PHE HA 1 160 LYS HA 3.000 . 3.000 2.762 2.593 2.946 . 0 0 "[ . 1 . 2 ]" 1
110 1 138 LYS HA 1 158 TRP HA 2.500 . 2.500 1.939 1.871 2.023 . 0 0 "[ . 1 . 2 ]" 1
111 1 1 THR MG 1 83 PHE QE 4.500 . 4.500 3.325 2.126 3.976 . 0 0 "[ . 1 . 2 ]" 1
112 1 1 THR MG 1 96 ILE H 5.500 . 5.500 3.733 3.292 4.508 . 0 0 "[ . 1 . 2 ]" 1
113 1 1 THR MG 1 83 PHE QD 5.500 . 5.500 4.670 3.752 5.136 . 0 0 "[ . 1 . 2 ]" 1
114 1 1 THR MG 1 96 ILE MD 3.500 . 3.500 2.045 1.827 2.455 . 0 0 "[ . 1 . 2 ]" 1
115 1 1 THR MG 1 106 PHE QD 4.500 . 4.500 1.982 1.798 2.281 . 0 0 "[ . 1 . 2 ]" 1
116 1 1 THR HB 1 110 VAL HA 3.500 . 3.500 2.635 2.276 2.952 . 0 0 "[ . 1 . 2 ]" 1
117 1 1 THR HB 1 111 ASP H 4.500 . 4.500 3.425 2.900 3.794 . 0 0 "[ . 1 . 2 ]" 1
118 1 1 THR MG 1 111 ASP H 5.500 . 5.500 4.291 4.097 4.564 . 0 0 "[ . 1 . 2 ]" 1
119 1 2 ALA H 1 93 GLU HB3 6.000 . 6.000 5.416 5.030 5.738 . 0 0 "[ . 1 . 2 ]" 1
120 1 2 ALA H 1 94 LEU HG 5.500 . 5.500 4.928 4.478 5.428 . 0 0 "[ . 1 . 2 ]" 1
121 1 2 ALA H 1 95 VAL QG 4.500 . 4.500 3.461 3.325 3.654 . 0 0 "[ . 1 . 2 ]" 1
122 1 2 ALA HA 1 110 VAL MG1 4.500 . 4.500 2.901 2.483 3.281 . 0 0 "[ . 1 . 2 ]" 1
123 1 2 ALA MB 1 112 THR HA 5.500 . 5.500 4.099 3.921 4.314 . 0 0 "[ . 1 . 2 ]" 1
124 1 2 ALA HA 1 112 THR MG 5.500 . 5.500 4.506 4.257 4.728 . 0 0 "[ . 1 . 2 ]" 1
125 1 2 ALA MB 1 112 THR H 4.500 . 4.500 2.983 2.760 3.236 . 0 0 "[ . 1 . 2 ]" 1
126 1 2 ALA HA 1 112 THR HB 3.500 . 3.500 3.212 2.765 3.504 0.004 15 0 "[ . 1 . 2 ]" 1
127 1 2 ALA HA 1 113 LEU HG 6.500 . 6.500 4.679 4.532 5.002 . 0 0 "[ . 1 . 2 ]" 1
128 1 2 ALA HA 1 113 LEU MD2 5.500 . 5.500 4.158 3.609 4.678 . 0 0 "[ . 1 . 2 ]" 1
129 1 2 ALA HA 1 114 LEU MD1 5.500 . 5.500 4.824 4.577 5.127 . 0 0 "[ . 1 . 2 ]" 1
130 1 3 PHE QD 1 96 ILE HB 4.500 . 4.500 2.633 1.524 3.535 . 0 0 "[ . 1 . 2 ]" 1
131 1 3 PHE HA 1 96 ILE HB 3.500 . 3.500 1.950 1.782 2.341 . 0 0 "[ . 1 . 2 ]" 1
132 1 3 PHE HA 1 96 ILE QG 4.000 . 4.000 3.117 2.806 3.585 . 0 0 "[ . 1 . 2 ]" 1
133 1 3 PHE HA 1 96 ILE MG 4.500 . 4.500 3.525 3.352 3.826 . 0 0 "[ . 1 . 2 ]" 1
134 1 3 PHE HA 1 96 ILE MD 6.500 . 6.500 4.565 4.376 4.904 . 0 0 "[ . 1 . 2 ]" 1
135 1 3 PHE QD 1 96 ILE QG 4.500 . 4.500 2.335 1.924 2.722 . 0 0 "[ . 1 . 2 ]" 1
136 1 3 PHE QD 1 96 ILE MG 4.500 . 4.500 3.452 2.390 3.996 . 0 0 "[ . 1 . 2 ]" 1
137 1 3 PHE QD 1 96 ILE H 4.500 . 4.500 3.774 3.476 4.238 . 0 0 "[ . 1 . 2 ]" 1
138 1 3 PHE QD 1 96 ILE MD 5.500 . 5.500 3.977 3.604 4.348 . 0 0 "[ . 1 . 2 ]" 1
139 1 3 PHE QE 1 96 ILE MD 5.500 . 5.500 3.375 2.957 3.767 . 0 0 "[ . 1 . 2 ]" 1
140 1 3 PHE HB3 1 103 PHE QE 4.000 . 4.000 3.626 2.965 4.007 0.007 17 0 "[ . 1 . 2 ]" 1
141 1 3 PHE HZ 1 104 THR HA 5.500 . 5.500 4.747 4.432 5.050 . 0 0 "[ . 1 . 2 ]" 1
142 1 3 PHE HZ 1 106 PHE HB3 4.500 . 4.500 3.142 2.654 3.946 . 0 0 "[ . 1 . 2 ]" 1
143 1 3 PHE QE 1 106 PHE H 5.500 . 5.500 4.249 3.895 4.561 . 0 0 "[ . 1 . 2 ]" 1
144 1 3 PHE HZ 1 106 PHE HB2 3.500 . 3.500 2.599 2.156 3.028 . 0 0 "[ . 1 . 2 ]" 1
145 1 3 PHE HZ 1 107 LYS HA 3.500 . 3.500 2.348 1.965 2.769 . 0 0 "[ . 1 . 2 ]" 1
146 1 3 PHE QE 1 107 LYS H 5.500 . 5.500 3.948 3.641 4.149 . 0 0 "[ . 1 . 2 ]" 1
147 1 3 PHE QE 1 107 LYS HA 4.500 . 4.500 2.926 2.144 3.337 . 0 0 "[ . 1 . 2 ]" 1
148 1 3 PHE H 1 110 VAL MG1 3.500 . 3.500 3.235 3.035 3.452 . 0 0 "[ . 1 . 2 ]" 1
149 1 3 PHE QB 1 110 VAL MG1 4.500 . 4.500 3.241 3.031 3.584 . 0 0 "[ . 1 . 2 ]" 1
150 1 3 PHE QD 1 110 VAL HB 6.000 . 6.000 5.615 5.142 6.004 0.004 18 0 "[ . 1 . 2 ]" 1
151 1 3 PHE HZ 1 110 VAL MG2 4.500 . 4.500 3.296 2.909 3.539 . 0 0 "[ . 1 . 2 ]" 1
152 1 3 PHE H 1 112 THR HB 4.500 . 4.500 4.136 3.582 4.508 0.008 6 0 "[ . 1 . 2 ]" 1
153 1 3 PHE H 1 112 THR MG 5.500 . 5.500 4.589 4.247 4.896 . 0 0 "[ . 1 . 2 ]" 1
154 1 3 PHE HA 1 113 LEU MD2 5.500 . 5.500 4.280 4.120 4.596 . 0 0 "[ . 1 . 2 ]" 1
155 1 3 PHE HB3 1 113 LEU MD2 4.500 . 4.500 3.020 2.687 3.358 . 0 0 "[ . 1 . 2 ]" 1
156 1 3 PHE HB2 1 113 LEU MD2 3.000 . 3.000 1.866 1.798 2.188 . 0 0 "[ . 1 . 2 ]" 1
157 1 3 PHE HB2 1 113 LEU HA 5.500 . 5.500 2.445 2.262 2.672 . 0 0 "[ . 1 . 2 ]" 1
158 1 3 PHE H 1 113 LEU HG 6.000 . 6.000 3.961 3.690 4.281 . 0 0 "[ . 1 . 2 ]" 1
159 1 3 PHE H 1 113 LEU MD2 3.500 . 3.500 2.951 2.500 3.372 . 0 0 "[ . 1 . 2 ]" 1
160 1 3 PHE HB3 1 114 LEU H 5.500 . 5.500 3.726 3.474 3.939 . 0 0 "[ . 1 . 2 ]" 1
161 1 3 PHE HB2 1 114 LEU H 3.500 . 3.500 3.305 3.075 3.453 . 0 0 "[ . 1 . 2 ]" 1
162 1 3 PHE HA 1 128 MET ME 6.500 . 6.500 4.762 4.279 5.004 . 0 0 "[ . 1 . 2 ]" 1
163 1 3 PHE HB3 1 128 MET ME 5.500 . 5.500 2.931 2.449 3.185 . 0 0 "[ . 1 . 2 ]" 1
164 1 3 PHE HB2 1 128 MET ME 5.500 . 5.500 3.837 3.466 4.134 . 0 0 "[ . 1 . 2 ]" 1
165 1 3 PHE QE 1 128 MET ME 3.500 . 3.500 2.672 2.257 3.233 . 0 0 "[ . 1 . 2 ]" 1
166 1 3 PHE QD 1 128 MET ME 3.500 . 3.500 1.927 1.737 2.875 . 0 0 "[ . 1 . 2 ]" 1
167 1 3 PHE QD 1 129 ILE MD 4.500 . 4.500 3.941 3.600 4.409 . 0 0 "[ . 1 . 2 ]" 1
168 1 3 PHE QD 1 131 LEU QB 5.500 . 5.500 5.060 4.465 5.511 0.011 14 0 "[ . 1 . 2 ]" 1
169 1 3 PHE QD 1 131 LEU MD1 4.500 . 4.500 2.321 1.852 2.815 . 0 0 "[ . 1 . 2 ]" 1
170 1 3 PHE QE 1 131 LEU MD1 5.500 . 5.500 3.573 3.058 4.007 . 0 0 "[ . 1 . 2 ]" 1
171 1 4 LEU MD1 1 29 TYR QD 4.500 . 4.500 2.868 2.511 3.239 . 0 0 "[ . 1 . 2 ]" 1
172 1 4 LEU MD1 1 29 TYR QE 3.500 . 3.500 2.629 2.137 3.107 . 0 0 "[ . 1 . 2 ]" 1
173 1 4 LEU HG 1 30 PHE QD 3.500 . 3.500 2.149 1.937 2.343 . 0 0 "[ . 1 . 2 ]" 1
174 1 4 LEU MD2 1 30 PHE QD 3.500 . 3.500 1.974 1.850 2.101 . 0 0 "[ . 1 . 2 ]" 1
175 1 4 LEU HG 1 30 PHE QE 3.500 . 3.500 3.054 2.646 3.433 . 0 0 "[ . 1 . 2 ]" 1
176 1 4 LEU MD1 1 30 PHE QE 5.000 . 5.000 4.493 4.217 4.744 . 0 0 "[ . 1 . 2 ]" 1
177 1 4 LEU MD1 1 30 PHE QD 4.000 . 4.000 3.272 2.977 3.580 . 0 0 "[ . 1 . 2 ]" 1
178 1 4 LEU MD1 1 33 GLN HB3 5.500 . 5.500 2.925 2.361 3.502 . 0 0 "[ . 1 . 2 ]" 1
179 1 4 LEU MD2 1 34 THR H 5.500 . 5.500 3.775 3.595 4.025 . 0 0 "[ . 1 . 2 ]" 1
180 1 4 LEU H 1 95 VAL QG 5.500 . 5.500 3.958 3.706 4.149 . 0 0 "[ . 1 . 2 ]" 1
181 1 4 LEU H 1 96 ILE HB 4.500 . 4.500 3.007 2.592 3.657 . 0 0 "[ . 1 . 2 ]" 1
182 1 4 LEU HB2 1 97 ALA HA 5.500 . 5.500 4.935 4.689 5.260 . 0 0 "[ . 1 . 2 ]" 1
183 1 4 LEU MD2 1 97 ALA HA 4.500 . 4.500 4.271 4.071 4.503 0.003 11 0 "[ . 1 . 2 ]" 1
184 1 4 LEU HB3 1 97 ALA HA 3.500 . 3.500 3.205 2.936 3.504 0.004 16 0 "[ . 1 . 2 ]" 1
185 1 4 LEU HG 1 97 ALA HA 4.500 . 4.500 4.328 3.685 4.509 0.009 2 0 "[ . 1 . 2 ]" 1
186 1 4 LEU H 1 103 PHE HZ 4.500 . 4.500 3.629 2.898 4.135 . 0 0 "[ . 1 . 2 ]" 1
187 1 4 LEU H 1 103 PHE QE 3.500 . 3.500 2.595 2.250 2.994 . 0 0 "[ . 1 . 2 ]" 1
188 1 4 LEU HA 1 114 LEU HG 5.000 . 5.000 4.333 3.849 4.635 . 0 0 "[ . 1 . 2 ]" 1
189 1 4 LEU HA 1 114 LEU HB2 3.500 . 3.500 2.045 1.834 2.265 . 0 0 "[ . 1 . 2 ]" 1
190 1 4 LEU HA 1 114 LEU MD1 3.500 . 3.500 3.211 2.888 3.503 0.003 12 0 "[ . 1 . 2 ]" 1
191 1 4 LEU HA 1 114 LEU HB3 4.000 . 4.000 3.577 3.184 3.779 . 0 0 "[ . 1 . 2 ]" 1
192 1 5 TRP HA 1 13 ILE MD 6.500 . 6.500 6.366 5.702 6.524 0.024 1 0 "[ . 1 . 2 ]" 1
193 1 5 TRP HE1 1 13 ILE MG 4.500 . 4.500 3.524 3.263 3.749 . 0 0 "[ . 1 . 2 ]" 1
194 1 5 TRP HD1 1 13 ILE MG 3.000 . 3.000 1.964 1.735 2.186 . 0 0 "[ . 1 . 2 ]" 1
195 1 5 TRP HZ3 1 113 LEU MD1 5.500 . 5.500 4.482 4.222 4.859 . 0 0 "[ . 1 . 2 ]" 1
196 1 5 TRP HA 1 103 PHE HZ 5.500 . 5.500 3.603 3.360 3.844 . 0 0 "[ . 1 . 2 ]" 1
197 1 5 TRP HB3 1 103 PHE HZ 3.500 . 3.500 2.191 1.998 2.371 . 0 0 "[ . 1 . 2 ]" 1
198 1 5 TRP HH2 1 113 LEU MD1 4.000 . 4.000 3.599 3.350 3.827 . 0 0 "[ . 1 . 2 ]" 1
199 1 5 TRP HE3 1 113 LEU HA 5.500 . 5.500 4.937 4.766 5.151 . 0 0 "[ . 1 . 2 ]" 1
200 1 5 TRP HZ3 1 113 LEU HB2 5.000 . 5.000 4.467 4.279 4.704 . 0 0 "[ . 1 . 2 ]" 1
201 1 5 TRP HZ3 1 113 LEU HB3 3.500 . 3.500 2.796 2.559 3.027 . 0 0 "[ . 1 . 2 ]" 1
202 1 5 TRP HZ3 1 113 LEU HA 3.500 . 3.500 3.012 2.741 3.236 . 0 0 "[ . 1 . 2 ]" 1
203 1 5 TRP HZ2 1 113 LEU MD1 5.500 . 5.500 5.415 4.984 5.512 0.012 17 0 "[ . 1 . 2 ]" 1
204 1 5 TRP HZ3 1 114 LEU H 4.500 . 4.500 2.712 2.063 3.103 . 0 0 "[ . 1 . 2 ]" 1
205 1 5 TRP H 1 114 LEU QB 5.500 . 5.500 3.715 3.355 4.027 . 0 0 "[ . 1 . 2 ]" 1
206 1 5 TRP HE3 1 114 LEU H 5.500 . 5.500 3.766 3.491 4.013 . 0 0 "[ . 1 . 2 ]" 1
207 1 5 TRP HE3 1 115 VAL HA 4.500 . 4.500 4.229 4.011 4.438 . 0 0 "[ . 1 . 2 ]" 1
208 1 5 TRP HZ2 1 115 VAL MG2 3.500 . 3.500 2.632 2.372 2.866 . 0 0 "[ . 1 . 2 ]" 1
209 1 5 TRP HD1 1 115 VAL MG2 5.500 . 5.500 3.520 3.289 3.914 . 0 0 "[ . 1 . 2 ]" 1
210 1 5 TRP HZ2 1 115 VAL MG1 5.500 . 5.500 3.553 3.337 3.731 . 0 0 "[ . 1 . 2 ]" 1
211 1 5 TRP HH2 1 115 VAL HB 3.500 . 3.500 2.980 2.722 3.225 . 0 0 "[ . 1 . 2 ]" 1
212 1 5 TRP HH2 1 115 VAL MG2 4.500 . 4.500 4.068 3.762 4.256 . 0 0 "[ . 1 . 2 ]" 1
213 1 5 TRP HZ3 1 115 VAL MG2 5.500 . 5.500 4.902 4.596 5.166 . 0 0 "[ . 1 . 2 ]" 1
214 1 5 TRP HE1 1 115 VAL MG2 3.500 . 3.500 2.411 2.137 2.718 . 0 0 "[ . 1 . 2 ]" 1
215 1 5 TRP HZ3 1 128 MET ME 4.500 . 4.500 3.208 2.860 3.618 . 0 0 "[ . 1 . 2 ]" 1
216 1 5 TRP HD1 1 128 MET HB2 4.000 . 4.000 3.287 2.760 3.786 . 0 0 "[ . 1 . 2 ]" 1
217 1 5 TRP HD1 1 128 MET HG3 4.500 . 4.500 2.961 2.649 3.222 . 0 0 "[ . 1 . 2 ]" 1
218 1 5 TRP QB 1 128 MET ME 5.500 . 5.500 3.540 2.961 3.901 . 0 0 "[ . 1 . 2 ]" 1
219 1 5 TRP HH2 1 128 MET ME 4.500 . 4.500 3.382 2.930 3.867 . 0 0 "[ . 1 . 2 ]" 1
220 1 5 TRP HZ2 1 128 MET ME 4.500 . 4.500 3.556 3.151 4.025 . 0 0 "[ . 1 . 2 ]" 1
221 1 5 TRP HZ2 1 128 MET HG3 5.000 . 5.000 3.915 3.416 4.464 . 0 0 "[ . 1 . 2 ]" 1
222 1 5 TRP HE1 1 128 MET HB2 3.500 . 3.500 2.988 2.777 3.211 . 0 0 "[ . 1 . 2 ]" 1
223 1 5 TRP HE1 1 128 MET HB3 4.500 . 4.500 3.498 3.093 3.810 . 0 0 "[ . 1 . 2 ]" 1
224 1 5 TRP HE1 1 128 MET HG3 3.500 . 3.500 2.661 1.990 2.923 . 0 0 "[ . 1 . 2 ]" 1
225 1 5 TRP HE3 1 128 MET ME 4.500 . 4.500 3.165 2.903 3.613 . 0 0 "[ . 1 . 2 ]" 1
226 1 5 TRP HZ2 1 128 MET HB2 6.000 . 6.000 5.044 4.873 5.409 . 0 0 "[ . 1 . 2 ]" 1
227 1 5 TRP HE1 1 128 MET ME 4.500 . 4.500 4.133 3.700 4.507 0.007 7 0 "[ . 1 . 2 ]" 1
228 1 5 TRP HZ2 1 131 LEU HB2 5.500 . 5.500 4.430 4.090 4.989 . 0 0 "[ . 1 . 2 ]" 1
229 1 5 TRP HE1 1 133 TRP HZ2 5.500 . 5.500 4.359 3.938 4.795 . 0 0 "[ . 1 . 2 ]" 1
230 1 6 ALA H 1 13 ILE MG 5.500 . 5.500 3.740 2.767 4.593 . 0 0 "[ . 1 . 2 ]" 1
231 1 6 ALA MB 1 13 ILE HA 6.500 . 6.500 4.863 4.422 5.309 . 0 0 "[ . 1 . 2 ]" 1
232 1 6 ALA MB 1 21 TRP HH2 4.500 . 4.500 4.220 3.769 4.504 0.004 18 0 "[ . 1 . 2 ]" 1
233 1 6 ALA MB 1 21 TRP HE1 4.500 . 4.500 3.400 2.946 4.064 . 0 0 "[ . 1 . 2 ]" 1
234 1 6 ALA MB 1 21 TRP HZ2 3.500 . 3.500 2.561 2.109 2.857 . 0 0 "[ . 1 . 2 ]" 1
235 1 6 ALA HA 1 115 VAL MG2 4.500 . 4.500 3.345 3.031 3.613 . 0 0 "[ . 1 . 2 ]" 1
236 1 6 ALA HA 1 116 THR MG 4.500 . 4.500 4.012 3.755 4.266 . 0 0 "[ . 1 . 2 ]" 1
237 1 6 ALA HA 1 116 THR HB 3.000 . 3.000 2.366 2.063 2.721 . 0 0 "[ . 1 . 2 ]" 1
238 1 6 ALA MB 1 116 THR H 5.500 . 5.500 3.502 3.334 3.659 . 0 0 "[ . 1 . 2 ]" 1
239 1 6 ALA MB 1 116 THR MG 4.500 . 4.500 3.147 2.889 3.328 . 0 0 "[ . 1 . 2 ]" 1
240 1 6 ALA MB 1 118 LEU MD1 4.500 . 4.500 2.660 2.374 2.905 . 0 0 "[ . 1 . 2 ]" 1
241 1 6 ALA HA 1 118 LEU MD1 5.500 . 5.500 3.983 3.740 4.258 . 0 0 "[ . 1 . 2 ]" 1
242 1 7 GLN H 1 13 ILE MG 5.500 . 5.500 4.560 4.000 4.888 . 0 0 "[ . 1 . 2 ]" 1
243 1 7 GLN HA 1 13 ILE MG 3.500 . 3.500 3.169 2.567 3.475 . 0 0 "[ . 1 . 2 ]" 1
244 1 7 GLN HA 1 21 TRP HH2 3.500 . 3.500 2.214 1.772 2.676 . 0 0 "[ . 1 . 2 ]" 1
245 1 7 GLN H 1 115 VAL MG1 6.000 . 6.000 5.154 4.808 5.514 . 0 0 "[ . 1 . 2 ]" 1
246 1 7 GLN H 1 115 VAL MG2 4.500 . 4.500 2.963 2.477 3.305 . 0 0 "[ . 1 . 2 ]" 1
247 1 7 GLN H 1 116 THR HB 4.500 . 4.500 3.244 2.943 3.890 . 0 0 "[ . 1 . 2 ]" 1
248 1 7 GLN HA 1 118 LEU MD1 4.500 . 4.500 3.733 3.395 4.183 . 0 0 "[ . 1 . 2 ]" 1
249 1 7 GLN H 1 118 LEU MD1 4.500 . 4.500 3.275 2.843 4.075 . 0 0 "[ . 1 . 2 ]" 1
250 1 7 GLN QG 1 118 LEU H 5.500 . 5.500 4.089 3.708 4.355 . 0 0 "[ . 1 . 2 ]" 1
251 1 7 GLN QB 1 118 LEU H 5.500 . 5.500 5.180 4.997 5.333 . 0 0 "[ . 1 . 2 ]" 1
252 1 8 ASP H 1 13 ILE MG 5.500 . 5.500 4.750 4.198 5.089 . 0 0 "[ . 1 . 2 ]" 1
253 1 8 ASP H 1 21 TRP HZ3 5.000 . 5.000 3.249 2.746 3.609 . 0 0 "[ . 1 . 2 ]" 1
254 1 8 ASP H 1 21 TRP HH2 4.500 . 4.500 3.186 2.709 3.674 . 0 0 "[ . 1 . 2 ]" 1
255 1 8 ASP HB3 1 122 PHE H 5.500 . 5.500 3.230 3.003 3.498 . 0 0 "[ . 1 . 2 ]" 1
256 1 8 ASP HB3 1 122 PHE QD 3.500 . 3.500 1.959 1.770 2.200 . 0 0 "[ . 1 . 2 ]" 1
257 1 8 ASP HB2 1 122 PHE QE 4.000 . 4.000 3.528 3.215 3.854 . 0 0 "[ . 1 . 2 ]" 1
258 1 9 ARG H 1 117 ARG QB 6.500 . 6.500 5.432 5.029 5.882 . 0 0 "[ . 1 . 2 ]" 1
259 1 9 ARG H 1 118 LEU HB3 5.500 . 5.500 4.783 4.378 5.210 . 0 0 "[ . 1 . 2 ]" 1
260 1 9 ARG HG3 1 121 SER HA 4.500 . 4.500 2.412 2.179 2.803 . 0 0 "[ . 1 . 2 ]" 1
261 1 12 LEU MD2 1 21 TRP HE3 4.500 . 4.500 3.686 3.270 4.387 . 0 0 "[ . 1 . 2 ]" 1
262 1 12 LEU QB 1 21 TRP HZ3 4.500 . 4.500 2.294 1.809 3.064 . 0 0 "[ . 1 . 2 ]" 1
263 1 12 LEU MD1 1 21 TRP HZ3 5.500 . 5.500 4.690 4.193 5.309 . 0 0 "[ . 1 . 2 ]" 1
264 1 12 LEU MD2 1 122 PHE H 5.000 . 5.000 4.263 3.824 4.779 . 0 0 "[ . 1 . 2 ]" 1
265 1 12 LEU MD2 1 123 GLU H 4.500 . 4.500 3.597 3.275 3.895 . 0 0 "[ . 1 . 2 ]" 1
266 1 12 LEU MD2 1 124 GLY H 3.500 . 3.500 3.301 2.944 3.497 . 0 0 "[ . 1 . 2 ]" 1
267 1 12 LEU QB 1 124 GLY H 5.500 . 5.500 4.776 4.322 5.152 . 0 0 "[ . 1 . 2 ]" 1
268 1 12 LEU MD1 1 124 GLY H 3.500 . 3.500 3.052 2.662 3.471 . 0 0 "[ . 1 . 2 ]" 1
269 1 12 LEU MD1 1 125 ASP H 3.500 . 3.500 3.083 2.490 3.499 . 0 0 "[ . 1 . 2 ]" 1
270 1 12 LEU QB 1 125 ASP H 6.500 . 6.500 6.015 5.250 6.506 0.006 12 0 "[ . 1 . 2 ]" 1
271 1 12 LEU MD2 1 125 ASP H 4.500 . 4.500 4.073 3.444 4.507 0.007 6 0 "[ . 1 . 2 ]" 1
272 1 12 LEU HG 1 126 THR H 5.500 . 5.500 4.762 3.921 5.424 . 0 0 "[ . 1 . 2 ]" 1
273 1 12 LEU MD1 1 126 THR H 4.500 . 4.500 2.816 2.142 3.219 . 0 0 "[ . 1 . 2 ]" 1
274 1 12 LEU MD2 1 126 THR H 5.500 . 5.500 4.411 3.705 4.877 . 0 0 "[ . 1 . 2 ]" 1
275 1 12 LEU MD1 1 128 MET H 5.500 . 5.500 4.746 4.280 5.225 . 0 0 "[ . 1 . 2 ]" 1
276 1 13 ILE HA 1 21 TRP HH2 3.500 . 3.500 2.485 2.007 3.070 . 0 0 "[ . 1 . 2 ]" 1
277 1 13 ILE HA 1 21 TRP HZ3 4.500 . 4.500 4.366 4.060 4.513 0.013 9 0 "[ . 1 . 2 ]" 1
278 1 13 ILE MG 1 21 TRP HH2 4.500 . 4.500 3.706 3.078 4.184 . 0 0 "[ . 1 . 2 ]" 1
279 1 13 ILE HB 1 21 TRP HH2 5.500 . 5.500 4.990 4.532 5.447 . 0 0 "[ . 1 . 2 ]" 1
280 1 13 ILE MD 1 100 ALA H 4.500 . 4.500 2.910 2.410 3.549 . 0 0 "[ . 1 . 2 ]" 1
281 1 13 ILE MD 1 103 PHE QD 5.500 . 5.500 3.547 3.081 4.166 . 0 0 "[ . 1 . 2 ]" 1
282 1 13 ILE H 1 126 THR HB 5.500 . 5.500 4.250 3.749 4.740 . 0 0 "[ . 1 . 2 ]" 1
283 1 13 ILE QG 1 126 THR HB 4.500 . 4.500 3.192 2.523 3.752 . 0 0 "[ . 1 . 2 ]" 1
284 1 13 ILE MG 1 127 LYS HA 4.000 . 4.000 3.414 2.924 3.980 . 0 0 "[ . 1 . 2 ]" 1
285 1 13 ILE MD 1 128 MET HA 4.500 . 4.500 3.133 2.344 4.009 . 0 0 "[ . 1 . 2 ]" 1
286 1 13 ILE MD 1 128 MET H 5.500 . 5.500 3.976 3.598 4.718 . 0 0 "[ . 1 . 2 ]" 1
287 1 13 ILE QG 1 128 MET H 5.500 . 5.500 2.522 2.230 3.070 . 0 0 "[ . 1 . 2 ]" 1
288 1 14 GLY H 1 126 THR HB 3.500 . 3.500 3.122 2.441 3.509 0.009 16 0 "[ . 1 . 2 ]" 1
289 1 15 LYS H 1 20 PRO HD3 5.500 . 5.500 3.196 2.630 4.017 . 0 0 "[ . 1 . 2 ]" 1
290 1 15 LYS H 1 20 PRO HG3 4.500 . 4.500 3.553 2.471 4.516 0.016 7 0 "[ . 1 . 2 ]" 1
291 1 15 LYS QG 1 124 GLY H 5.500 . 5.500 4.801 4.374 5.455 . 0 0 "[ . 1 . 2 ]" 1
292 1 15 LYS QG 1 124 GLY HA3 4.500 . 4.500 2.843 2.310 3.343 . 0 0 "[ . 1 . 2 ]" 1
293 1 15 LYS QG 1 124 GLY HA2 4.500 . 4.500 2.495 1.749 3.289 . 0 0 "[ . 1 . 2 ]" 1
294 1 15 LYS QG 1 125 ASP H 4.500 . 4.500 2.732 1.845 4.409 . 0 0 "[ . 1 . 2 ]" 1
295 1 15 LYS H 1 126 THR HB 6.000 . 6.000 5.115 4.614 5.475 . 0 0 "[ . 1 . 2 ]" 1
296 1 18 HIS HA 1 48 SER QB 6.500 . 6.500 4.698 3.616 5.634 . 0 0 "[ . 1 . 2 ]" 1
297 1 20 PRO QB 1 122 PHE QD 4.500 . 4.500 3.128 2.507 3.542 . 0 0 "[ . 1 . 2 ]" 1
298 1 20 PRO QB 1 122 PHE HB3 3.500 . 3.500 2.189 1.938 2.419 . 0 0 "[ . 1 . 2 ]" 1
299 1 20 PRO HB3 1 123 GLU H 5.500 . 5.500 4.272 3.944 4.487 . 0 0 "[ . 1 . 2 ]" 1
300 1 20 PRO HB2 1 123 GLU H 5.500 . 5.500 4.388 3.907 4.894 . 0 0 "[ . 1 . 2 ]" 1
301 1 21 TRP HD1 1 26 ASP QB 5.500 . 5.500 4.443 4.118 4.923 . 0 0 "[ . 1 . 2 ]" 1
302 1 21 TRP HB3 1 118 LEU MD2 5.500 . 5.500 3.420 2.867 3.748 . 0 0 "[ . 1 . 2 ]" 1
303 1 21 TRP HD1 1 118 LEU MD2 4.500 . 4.500 3.162 2.795 3.723 . 0 0 "[ . 1 . 2 ]" 1
304 1 21 TRP HD1 1 118 LEU MD1 6.000 . 6.000 4.796 4.281 5.406 . 0 0 "[ . 1 . 2 ]" 1
305 1 21 TRP HE1 1 118 LEU MD2 4.500 . 4.500 3.208 2.917 3.653 . 0 0 "[ . 1 . 2 ]" 1
306 1 21 TRP HE3 1 118 LEU MD2 4.500 . 4.500 3.738 3.476 3.940 . 0 0 "[ . 1 . 2 ]" 1
307 1 21 TRP HE1 1 118 LEU MD1 4.500 . 4.500 3.707 3.234 4.280 . 0 0 "[ . 1 . 2 ]" 1
308 1 21 TRP HE3 1 118 LEU MD1 6.500 . 6.500 4.888 4.440 5.430 . 0 0 "[ . 1 . 2 ]" 1
309 1 21 TRP HZ2 1 118 LEU MD2 4.500 . 4.500 3.976 3.768 4.174 . 0 0 "[ . 1 . 2 ]" 1
310 1 21 TRP HE3 1 122 PHE HB2 4.500 . 4.500 2.669 2.342 2.996 . 0 0 "[ . 1 . 2 ]" 1
311 1 21 TRP HE3 1 122 PHE QD 3.500 . 3.500 2.697 2.513 2.877 . 0 0 "[ . 1 . 2 ]" 1
312 1 21 TRP HE3 1 122 PHE QE 4.500 . 4.500 3.665 3.412 4.035 . 0 0 "[ . 1 . 2 ]" 1
313 1 21 TRP HE3 1 122 PHE QB 3.500 . 3.500 2.574 2.291 2.857 . 0 0 "[ . 1 . 2 ]" 1
314 1 21 TRP HB3 1 122 PHE HZ 3.500 . 3.500 2.945 2.643 3.259 . 0 0 "[ . 1 . 2 ]" 1
315 1 21 TRP HZ3 1 122 PHE HB2 5.500 . 5.500 3.037 2.664 3.423 . 0 0 "[ . 1 . 2 ]" 1
316 1 21 TRP HB2 1 151 LEU MD2 3.500 . 3.500 2.968 2.443 3.349 . 0 0 "[ . 1 . 2 ]" 1
317 1 21 TRP HD1 1 151 LEU MD1 6.500 . 6.500 5.874 5.479 6.380 . 0 0 "[ . 1 . 2 ]" 1
318 1 21 TRP HD1 1 151 LEU MD2 4.500 . 4.500 3.706 3.256 4.196 . 0 0 "[ . 1 . 2 ]" 1
319 1 22 HIS H 1 151 LEU MD2 4.500 . 4.500 3.214 2.475 3.618 . 0 0 "[ . 1 . 2 ]" 1
320 1 23 LEU MD2 1 118 LEU MD2 3.500 . 3.500 2.499 2.056 2.897 . 0 0 "[ . 1 . 2 ]" 1
321 1 23 LEU MD1 1 153 HIS HD2 6.000 . 6.000 5.376 4.949 5.589 . 0 0 "[ . 1 . 2 ]" 1
322 1 23 LEU MD1 1 153 HIS HE1 3.500 . 3.500 2.815 2.483 3.230 . 0 0 "[ . 1 . 2 ]" 1
323 1 23 LEU MD2 1 153 HIS HE1 4.500 . 4.500 2.880 2.596 3.235 . 0 0 "[ . 1 . 2 ]" 1
324 1 23 LEU MD2 1 153 HIS HD2 4.500 . 4.500 3.397 3.008 3.899 . 0 0 "[ . 1 . 2 ]" 1
325 1 23 LEU MD2 1 153 HIS HA 5.500 . 5.500 5.004 4.521 5.234 . 0 0 "[ . 1 . 2 ]" 1
326 1 23 LEU MD2 1 153 HIS QB 3.500 . 3.500 2.943 2.557 3.220 . 0 0 "[ . 1 . 2 ]" 1
327 1 25 ASP QB 1 153 HIS HE1 3.500 . 3.500 2.565 2.194 2.979 . 0 0 "[ . 1 . 2 ]" 1
328 1 26 ASP HA 1 116 THR MG 4.500 . 4.500 3.850 3.586 4.306 . 0 0 "[ . 1 . 2 ]" 1
329 1 26 ASP HA 1 155 TYR QE 4.000 . 4.000 3.064 2.757 3.403 . 0 0 "[ . 1 . 2 ]" 1
330 1 26 ASP HB2 1 153 HIS HD2 5.500 . 5.500 4.334 3.819 5.122 . 0 0 "[ . 1 . 2 ]" 1
331 1 26 ASP HB2 1 155 TYR QE 5.500 . 5.500 4.326 4.061 4.619 . 0 0 "[ . 1 . 2 ]" 1
332 1 29 TYR QE 1 114 LEU HB2 5.000 . 5.000 4.179 3.696 4.561 . 0 0 "[ . 1 . 2 ]" 1
333 1 29 TYR QE 1 114 LEU MD2 4.500 . 4.500 3.702 2.838 4.110 . 0 0 "[ . 1 . 2 ]" 1
334 1 29 TYR QD 1 116 THR HB 5.500 . 5.500 5.360 4.921 5.502 0.002 22 0 "[ . 1 . 2 ]" 1
335 1 29 TYR QE 1 155 TYR HA 5.500 . 5.500 4.415 4.038 4.613 . 0 0 "[ . 1 . 2 ]" 1
336 1 29 TYR QE 1 155 TYR HB2 4.500 . 4.500 3.917 3.395 4.430 . 0 0 "[ . 1 . 2 ]" 1
337 1 29 TYR QE 1 155 TYR HB3 3.500 . 3.500 3.151 2.833 3.502 0.002 11 0 "[ . 1 . 2 ]" 1
338 1 30 PHE HZ 1 41 VAL QG 5.500 . 5.500 3.138 2.776 3.565 . 0 0 "[ . 1 . 2 ]" 1
339 1 30 PHE HZ 1 49 PHE HZ 4.500 . 4.500 2.833 2.419 3.650 . 0 0 "[ . 1 . 2 ]" 1
340 1 30 PHE QE 1 54 LEU MD1 4.500 . 4.500 2.863 2.154 3.527 . 0 0 "[ . 1 . 2 ]" 1
341 1 30 PHE QE 1 54 LEU MD2 4.500 . 4.500 3.978 3.064 4.506 0.006 7 0 "[ . 1 . 2 ]" 1
342 1 30 PHE HZ 1 54 LEU MD1 5.000 . 5.000 4.181 3.312 4.882 . 0 0 "[ . 1 . 2 ]" 1
343 1 30 PHE HZ 1 97 ALA MB 3.500 . 3.500 1.919 1.793 2.362 . 0 0 "[ . 1 . 2 ]" 1
344 1 30 PHE QE 1 97 ALA HA 4.500 . 4.500 2.743 2.483 3.305 . 0 0 "[ . 1 . 2 ]" 1
345 1 30 PHE QE 1 97 ALA MB 3.500 . 3.500 2.327 1.917 2.752 . 0 0 "[ . 1 . 2 ]" 1
346 1 34 THR HB 1 39 MET HB2 5.500 . 5.500 2.815 2.227 3.154 . 0 0 "[ . 1 . 2 ]" 1
347 1 34 THR HB 1 54 LEU MD1 5.500 . 5.500 4.256 3.723 4.748 . 0 0 "[ . 1 . 2 ]" 1
348 1 34 THR HG1 1 54 LEU MD1 5.500 . 5.500 4.017 3.552 4.788 . 0 0 "[ . 1 . 2 ]" 1
349 1 35 VAL QG 1 57 ARG HE 5.500 . 5.500 2.918 1.966 4.645 . 0 0 "[ . 1 . 2 ]" 1
350 1 35 VAL HA 1 57 ARG HE 5.500 . 5.500 3.365 2.310 5.484 . 0 0 "[ . 1 . 2 ]" 1
351 1 35 VAL QG 1 57 ARG H 6.500 . 6.500 6.295 5.910 6.516 0.016 10 0 "[ . 1 . 2 ]" 1
352 1 36 GLY H 1 57 ARG HB2 5.000 . 5.000 4.856 4.549 5.007 0.007 15 0 "[ . 1 . 2 ]" 1
353 1 37 LYS H 1 57 ARG HB2 6.500 . 6.500 6.219 5.809 6.416 . 0 0 "[ . 1 . 2 ]" 1
354 1 37 LYS H 1 57 ARG HB3 5.000 . 5.000 4.823 4.118 5.010 0.010 1 0 "[ . 1 . 2 ]" 1
355 1 37 LYS HB3 1 93 GLU H 4.500 . 4.500 3.992 3.607 4.424 . 0 0 "[ . 1 . 2 ]" 1
356 1 37 LYS HB2 1 93 GLU H 6.000 . 6.000 5.382 5.179 5.685 . 0 0 "[ . 1 . 2 ]" 1
357 1 37 LYS QG 1 93 GLU H 3.500 . 3.500 3.062 2.798 3.418 . 0 0 "[ . 1 . 2 ]" 1
358 1 38 ILE H 1 58 THR HB 4.500 . 4.500 4.292 3.803 4.512 0.012 3 0 "[ . 1 . 2 ]" 1
359 1 38 ILE HA 1 60 VAL MG2 4.500 . 4.500 3.427 2.931 3.839 . 0 0 "[ . 1 . 2 ]" 1
360 1 38 ILE MG 1 85 TYR QD 3.500 . 3.500 3.211 2.646 3.482 . 0 0 "[ . 1 . 2 ]" 1
361 1 38 ILE MD 1 85 TYR QE 3.500 . 3.500 3.317 2.635 3.512 0.012 4 0 "[ . 1 . 2 ]" 1
362 1 38 ILE QG 1 85 TYR QE 3.500 . 3.500 3.273 2.598 3.507 0.007 2 0 "[ . 1 . 2 ]" 1
363 1 38 ILE MD 1 85 TYR QD 3.500 . 3.500 1.788 1.534 1.879 . 0 0 "[ . 1 . 2 ]" 1
364 1 38 ILE MD 1 89 HIS H 4.500 . 4.500 4.417 4.195 4.521 0.021 17 0 "[ . 1 . 2 ]" 1
365 1 38 ILE MD 1 86 ALA HA 4.500 . 4.500 2.376 2.100 2.638 . 0 0 "[ . 1 . 2 ]" 1
366 1 38 ILE MD 1 89 HIS HB2 3.500 . 3.500 3.108 2.734 3.366 . 0 0 "[ . 1 . 2 ]" 1
367 1 38 ILE HA 1 92 GLN QE 5.500 . 5.500 4.429 3.753 5.150 . 0 0 "[ . 1 . 2 ]" 1
368 1 38 ILE MD 1 92 GLN QE 5.500 . 5.500 3.871 2.374 5.024 . 0 0 "[ . 1 . 2 ]" 1
369 1 38 ILE MD 1 92 GLN H 5.500 . 5.500 4.997 4.362 5.408 . 0 0 "[ . 1 . 2 ]" 1
370 1 38 ILE H 1 95 VAL QG 4.500 . 4.500 2.947 2.653 3.259 . 0 0 "[ . 1 . 2 ]" 1
371 1 38 ILE H 1 94 LEU QD 5.500 . 5.500 4.775 4.430 5.252 . 0 0 "[ . 1 . 2 ]" 1
372 1 38 ILE HB 1 94 LEU HA 3.500 . 3.500 2.071 1.927 2.352 . 0 0 "[ . 1 . 2 ]" 1
373 1 39 MET ME 1 54 LEU H 5.000 . 5.000 4.370 3.259 5.008 0.008 9 0 "[ . 1 . 2 ]" 1
374 1 39 MET H 1 58 THR MG 5.500 . 5.500 3.897 3.257 4.522 . 0 0 "[ . 1 . 2 ]" 1
375 1 39 MET ME 1 59 ASN QD 4.500 . 4.500 3.137 2.165 4.035 . 0 0 "[ . 1 . 2 ]" 1
376 1 39 MET H 1 60 VAL HB 6.000 . 6.000 4.651 4.236 4.982 . 0 0 "[ . 1 . 2 ]" 1
377 1 39 MET H 1 60 VAL MG2 5.500 . 5.500 3.256 2.779 3.692 . 0 0 "[ . 1 . 2 ]" 1
378 1 39 MET QB 1 97 ALA H 6.000 . 6.000 5.858 5.069 6.003 0.003 10 0 "[ . 1 . 2 ]" 1
379 1 40 VAL HA 1 60 VAL MG2 4.500 . 4.500 4.020 3.763 4.433 . 0 0 "[ . 1 . 2 ]" 1
380 1 40 VAL H 1 94 LEU QD 5.500 . 5.500 4.972 4.692 5.336 . 0 0 "[ . 1 . 2 ]" 1
381 1 40 VAL H 1 95 VAL HB 5.500 . 5.500 3.980 3.609 4.392 . 0 0 "[ . 1 . 2 ]" 1
382 1 40 VAL HA 1 60 VAL HB 3.500 . 3.500 2.623 2.412 2.907 . 0 0 "[ . 1 . 2 ]" 1
383 1 40 VAL H 1 96 ILE MD 4.500 . 4.500 3.615 3.344 3.923 . 0 0 "[ . 1 . 2 ]" 1
384 1 40 VAL HB 1 96 ILE MD 3.500 . 3.500 2.201 1.874 2.660 . 0 0 "[ . 1 . 2 ]" 1
385 1 40 VAL H 1 97 ALA MB 4.500 . 4.500 3.416 2.908 3.683 . 0 0 "[ . 1 . 2 ]" 1
386 1 41 VAL QG 1 46 TYR H 4.500 . 4.500 3.391 3.019 3.747 . 0 0 "[ . 1 . 2 ]" 1
387 1 41 VAL HB 1 46 TYR H 4.500 . 4.500 3.023 2.694 3.466 . 0 0 "[ . 1 . 2 ]" 1
388 1 41 VAL QG 1 49 PHE QE 3.500 . 3.500 2.077 1.772 2.607 . 0 0 "[ . 1 . 2 ]" 1
389 1 41 VAL QG 1 49 PHE HZ 3.500 . 3.500 2.985 2.699 3.450 . 0 0 "[ . 1 . 2 ]" 1
390 1 41 VAL QG 1 61 VAL MG2 5.500 . 5.500 2.726 2.381 2.930 . 0 0 "[ . 1 . 2 ]" 1
391 1 41 VAL QG 1 62 LEU H 4.500 . 4.500 3.627 3.035 3.966 . 0 0 "[ . 1 . 2 ]" 1
392 1 41 VAL HA 1 62 LEU MD2 6.500 . 6.500 5.792 5.438 6.120 . 0 0 "[ . 1 . 2 ]" 1
393 1 41 VAL HA 1 97 ALA MB 4.500 . 4.500 3.068 2.730 3.320 . 0 0 "[ . 1 . 2 ]" 1
394 1 41 VAL QG 1 98 GLY H 5.500 . 5.500 3.978 3.700 4.304 . 0 0 "[ . 1 . 2 ]" 1
395 1 41 VAL HA 1 102 ILE MD 5.500 . 5.500 4.473 4.174 4.883 . 0 0 "[ . 1 . 2 ]" 1
396 1 41 VAL HA 1 102 ILE QG 4.500 . 4.500 3.062 2.768 3.388 . 0 0 "[ . 1 . 2 ]" 1
397 1 41 VAL HA 1 102 ILE MG 4.500 . 4.500 3.786 3.231 4.280 . 0 0 "[ . 1 . 2 ]" 1
398 1 42 GLY QA 1 102 ILE MD 3.500 . 3.500 2.298 2.093 2.591 . 0 0 "[ . 1 . 2 ]" 1
399 1 42 GLY H 1 102 ILE MD 4.500 . 4.500 3.561 3.175 4.072 . 0 0 "[ . 1 . 2 ]" 1
400 1 42 GLY H 1 102 ILE MG 4.500 . 4.500 4.190 3.730 4.530 0.030 16 0 "[ . 1 . 2 ]" 1
401 1 43 ARG H 1 61 VAL MG1 5.500 . 5.500 3.306 3.009 3.523 . 0 0 "[ . 1 . 2 ]" 1
402 1 43 ARG H 1 62 LEU QB 4.500 . 4.500 3.415 3.097 3.903 . 0 0 "[ . 1 . 2 ]" 1
403 1 43 ARG H 1 63 THR HB 4.500 . 4.500 3.994 3.684 4.295 . 0 0 "[ . 1 . 2 ]" 1
404 1 43 ARG HA 1 63 THR HB 5.000 . 5.000 4.073 3.673 4.358 . 0 0 "[ . 1 . 2 ]" 1
405 1 43 ARG QB 1 63 THR HA 3.500 . 3.500 2.732 2.443 3.162 . 0 0 "[ . 1 . 2 ]" 1
406 1 43 ARG QB 1 63 THR HG1 4.500 . 4.500 2.881 2.420 3.603 . 0 0 "[ . 1 . 2 ]" 1
407 1 43 ARG QG 1 63 THR HG1 4.500 . 4.500 2.950 1.982 3.929 . 0 0 "[ . 1 . 2 ]" 1
408 1 43 ARG QG 1 63 THR HA 5.500 . 5.500 4.160 3.698 4.728 . 0 0 "[ . 1 . 2 ]" 1
409 1 43 ARG QD 1 63 THR HG1 5.500 . 5.500 4.249 3.156 4.910 . 0 0 "[ . 1 . 2 ]" 1
410 1 43 ARG HE 1 63 THR HG1 3.500 . 3.500 2.559 1.965 3.502 0.002 21 0 "[ . 1 . 2 ]" 1
411 1 43 ARG HE 1 65 GLN QE 3.500 . 3.500 2.337 1.910 3.510 0.010 21 0 "[ . 1 . 2 ]" 1
412 1 43 ARG QD 1 65 GLN QE 5.000 . 5.000 3.701 2.734 4.842 . 0 0 "[ . 1 . 2 ]" 1
413 1 43 ARG QG 1 68 TYR QD 4.500 . 4.500 3.557 3.254 3.866 . 0 0 "[ . 1 . 2 ]" 1
414 1 43 ARG QD 1 68 TYR QE 3.500 . 3.500 3.142 2.456 3.499 . 0 0 "[ . 1 . 2 ]" 1
415 1 43 ARG QB 1 68 TYR QD 5.500 . 5.500 4.839 4.564 5.077 . 0 0 "[ . 1 . 2 ]" 1
416 1 43 ARG HE 1 68 TYR QE 5.500 . 5.500 4.353 3.824 4.976 . 0 0 "[ . 1 . 2 ]" 1
417 1 43 ARG H 1 102 ILE MD 4.500 . 4.500 4.085 3.755 4.499 . 0 0 "[ . 1 . 2 ]" 1
418 1 43 ARG H 1 102 ILE QG 5.500 . 5.500 4.777 4.408 5.178 . 0 0 "[ . 1 . 2 ]" 1
419 1 45 THR HG1 1 99 GLY H 4.500 . 4.500 3.161 2.349 4.017 . 0 0 "[ . 1 . 2 ]" 1
420 1 46 TYR QD 1 52 ARG HE 4.500 . 4.500 3.673 2.969 4.525 0.025 13 0 "[ . 1 . 2 ]" 1
421 1 46 TYR HB2 1 61 VAL MG1 3.500 . 3.500 2.560 1.900 2.840 . 0 0 "[ . 1 . 2 ]" 1
422 1 46 TYR HB2 1 61 VAL MG2 3.500 . 3.500 3.136 2.860 3.471 . 0 0 "[ . 1 . 2 ]" 1
423 1 46 TYR HB3 1 61 VAL MG2 4.500 . 4.500 3.511 3.133 3.779 . 0 0 "[ . 1 . 2 ]" 1
424 1 46 TYR H 1 61 VAL MG1 4.500 . 4.500 4.038 3.578 4.316 . 0 0 "[ . 1 . 2 ]" 1
425 1 46 TYR H 1 61 VAL MG2 6.000 . 6.000 5.172 4.917 5.558 . 0 0 "[ . 1 . 2 ]" 1
426 1 46 TYR HB3 1 61 VAL MG1 3.500 . 3.500 2.546 2.298 2.788 . 0 0 "[ . 1 . 2 ]" 1
427 1 46 TYR QD 1 61 VAL MG2 3.500 . 3.500 2.704 2.270 2.977 . 0 0 "[ . 1 . 2 ]" 1
428 1 47 GLU HA 1 52 ARG HE 5.500 . 5.500 3.840 2.791 4.486 . 0 0 "[ . 1 . 2 ]" 1
429 1 49 PHE QE 1 54 LEU MD1 3.500 . 3.500 3.288 2.509 3.515 0.015 20 0 "[ . 1 . 2 ]" 1
430 1 49 PHE QE 1 54 LEU MD2 4.500 . 4.500 3.547 2.759 4.473 . 0 0 "[ . 1 . 2 ]" 1
431 1 49 PHE QE 1 54 LEU HG 5.500 . 5.500 4.367 3.125 4.802 . 0 0 "[ . 1 . 2 ]" 1
432 1 53 PRO QB 1 59 ASN HB2 5.500 . 5.500 3.107 2.259 4.060 . 0 0 "[ . 1 . 2 ]" 1
433 1 53 PRO HG3 1 72 GLY HA3 4.000 . 4.000 3.406 2.474 4.005 0.005 13 0 "[ . 1 . 2 ]" 1
434 1 53 PRO QB 1 73 ALA H 5.500 . 5.500 4.772 4.018 5.500 0.000 14 0 "[ . 1 . 2 ]" 1
435 1 53 PRO QG 1 73 ALA H 5.500 . 5.500 3.851 3.131 4.770 . 0 0 "[ . 1 . 2 ]" 1
436 1 49 PHE QE 1 54 LEU H 6.500 . 6.500 6.340 5.129 6.520 0.020 16 0 "[ . 1 . 2 ]" 1
437 1 54 LEU H 1 59 ASN QD 3.500 . 3.500 2.862 2.028 3.503 0.003 11 0 "[ . 1 . 2 ]" 1
438 1 35 VAL HA 1 57 ARG HA 4.500 . 4.500 3.757 3.385 4.159 . 0 0 "[ . 1 . 2 ]" 1
439 1 36 GLY HA2 1 57 ARG HA 4.500 . 4.500 3.587 3.154 3.809 . 0 0 "[ . 1 . 2 ]" 1
440 1 35 VAL HA 1 57 ARG HB3 4.500 . 4.500 4.184 3.717 4.501 0.001 2 0 "[ . 1 . 2 ]" 1
441 1 35 VAL HA 1 57 ARG HB2 5.500 . 5.500 4.805 4.604 4.990 . 0 0 "[ . 1 . 2 ]" 1
442 1 35 VAL HA 1 57 ARG HG3 4.500 . 4.500 2.436 1.946 3.502 . 0 0 "[ . 1 . 2 ]" 1
443 1 35 VAL HA 1 57 ARG HG2 3.500 . 3.500 2.289 1.894 2.653 . 0 0 "[ . 1 . 2 ]" 1
444 1 58 THR MG 1 85 TYR QE 3.500 . 3.500 2.998 2.419 3.374 . 0 0 "[ . 1 . 2 ]" 1
445 1 58 THR MG 1 85 TYR QD 4.500 . 4.500 4.166 3.680 4.500 0.000 11 0 "[ . 1 . 2 ]" 1
446 1 58 THR H 1 92 GLN QE 5.500 . 5.500 4.671 3.746 5.093 . 0 0 "[ . 1 . 2 ]" 1
447 1 59 ASN HB3 1 74 VAL H 6.000 . 6.000 5.283 4.460 5.865 . 0 0 "[ . 1 . 2 ]" 1
448 1 59 ASN H 1 74 VAL MG2 5.500 . 5.500 3.505 3.035 4.018 . 0 0 "[ . 1 . 2 ]" 1
449 1 60 VAL MG2 1 74 VAL H 4.500 . 4.500 3.657 3.212 4.101 . 0 0 "[ . 1 . 2 ]" 1
450 1 60 VAL MG2 1 85 TYR QE 5.500 . 5.500 4.558 4.109 5.033 . 0 0 "[ . 1 . 2 ]" 1
451 1 61 VAL MG2 1 68 TYR QE 4.500 . 4.500 2.858 2.371 3.430 . 0 0 "[ . 1 . 2 ]" 1
452 1 61 VAL MG1 1 68 TYR QE 3.500 . 3.500 2.852 2.386 3.237 . 0 0 "[ . 1 . 2 ]" 1
453 1 61 VAL MG2 1 68 TYR QD 5.500 . 5.500 4.279 3.971 4.493 . 0 0 "[ . 1 . 2 ]" 1
454 1 61 VAL MG2 1 73 ALA H 5.500 . 5.500 5.226 4.668 5.510 0.010 10 0 "[ . 1 . 2 ]" 1
455 1 61 VAL H 1 73 ALA MB 4.500 . 4.500 3.976 3.691 4.369 . 0 0 "[ . 1 . 2 ]" 1
456 1 61 VAL MG2 1 73 ALA MB 3.500 . 3.500 2.518 2.147 2.760 . 0 0 "[ . 1 . 2 ]" 1
457 1 61 VAL H 1 74 VAL HB 5.500 . 5.500 3.563 3.292 3.933 . 0 0 "[ . 1 . 2 ]" 1
458 1 61 VAL H 1 75 VAL MG2 5.500 . 5.500 3.750 3.261 4.305 . 0 0 "[ . 1 . 2 ]" 1
459 1 61 VAL MG2 1 75 VAL MG2 4.500 . 4.500 3.157 2.815 3.497 . 0 0 "[ . 1 . 2 ]" 1
460 1 61 VAL MG1 1 75 VAL HA 5.500 . 5.500 4.490 4.256 4.717 . 0 0 "[ . 1 . 2 ]" 1
461 1 61 VAL MG2 1 75 VAL HA 5.500 . 5.500 3.716 3.298 4.028 . 0 0 "[ . 1 . 2 ]" 1
462 1 61 VAL MG1 1 76 VAL H 5.500 . 5.500 4.731 4.507 4.890 . 0 0 "[ . 1 . 2 ]" 1
463 1 61 VAL H 1 76 VAL MG1 6.000 . 6.000 4.650 4.269 5.011 . 0 0 "[ . 1 . 2 ]" 1
464 1 61 VAL HB 1 76 VAL H 4.500 . 4.500 3.872 3.519 4.084 . 0 0 "[ . 1 . 2 ]" 1
465 1 62 LEU MD1 1 77 HIS HA 5.500 . 5.500 4.520 2.843 5.245 . 0 0 "[ . 1 . 2 ]" 1
466 1 62 LEU MD2 1 77 HIS HA 5.500 . 5.500 4.822 4.358 5.193 . 0 0 "[ . 1 . 2 ]" 1
467 1 62 LEU MD2 1 78 ASP HA 5.500 . 5.500 4.790 4.286 5.308 . 0 0 "[ . 1 . 2 ]" 1
468 1 62 LEU MD1 1 78 ASP H 4.500 . 4.500 4.040 2.921 4.512 0.012 15 0 "[ . 1 . 2 ]" 1
469 1 62 LEU MD2 1 78 ASP H 5.500 . 5.500 4.507 4.027 4.904 . 0 0 "[ . 1 . 2 ]" 1
470 1 62 LEU MD1 1 79 VAL HA 5.500 . 5.500 3.863 3.109 4.292 . 0 0 "[ . 1 . 2 ]" 1
471 1 62 LEU MD2 1 79 VAL HA 4.500 . 4.500 3.495 3.133 3.872 . 0 0 "[ . 1 . 2 ]" 1
472 1 62 LEU MD1 1 79 VAL H 6.500 . 6.500 4.904 3.834 5.436 . 0 0 "[ . 1 . 2 ]" 1
473 1 62 LEU MD2 1 79 VAL H 5.500 . 5.500 3.741 3.394 4.142 . 0 0 "[ . 1 . 2 ]" 1
474 1 62 LEU MD1 1 82 VAL MG2 3.500 . 3.500 2.049 1.821 2.310 . 0 0 "[ . 1 . 2 ]" 1
475 1 62 LEU MD2 1 82 VAL MG2 4.500 . 4.500 3.165 2.619 3.584 . 0 0 "[ . 1 . 2 ]" 1
476 1 62 LEU MD1 1 82 VAL H 5.500 . 5.500 4.688 4.369 5.012 . 0 0 "[ . 1 . 2 ]" 1
477 1 62 LEU MD2 1 102 ILE HA 5.500 . 5.500 3.664 3.283 4.112 . 0 0 "[ . 1 . 2 ]" 1
478 1 62 LEU MD2 1 102 ILE QG 4.500 . 4.500 3.606 3.080 3.972 . 0 0 "[ . 1 . 2 ]" 1
479 1 62 LEU H 1 102 ILE MD 5.500 . 5.500 4.189 3.839 4.580 . 0 0 "[ . 1 . 2 ]" 1
480 1 62 LEU MD1 1 102 ILE QG 5.500 . 5.500 4.489 4.045 5.404 . 0 0 "[ . 1 . 2 ]" 1
481 1 62 LEU MD2 1 106 PHE QE 4.500 . 4.500 2.242 1.905 2.575 . 0 0 "[ . 1 . 2 ]" 1
482 1 62 LEU MD2 1 106 PHE HZ 5.500 . 5.500 3.178 2.781 4.051 . 0 0 "[ . 1 . 2 ]" 1
483 1 63 THR HG1 1 68 TYR QB 5.500 . 5.500 4.909 4.379 5.492 . 0 0 "[ . 1 . 2 ]" 1
484 1 63 THR MG 1 68 TYR H 4.500 . 4.500 4.017 3.729 4.267 . 0 0 "[ . 1 . 2 ]" 1
485 1 63 THR MG 1 68 TYR QD 3.500 . 3.500 2.761 2.403 3.120 . 0 0 "[ . 1 . 2 ]" 1
486 1 63 THR MG 1 68 TYR HB2 4.500 . 4.500 2.269 1.903 2.614 . 0 0 "[ . 1 . 2 ]" 1
487 1 63 THR H 1 75 VAL MG1 5.500 . 5.500 4.455 4.170 4.650 . 0 0 "[ . 1 . 2 ]" 1
488 1 63 THR MG 1 77 HIS HA 4.500 . 4.500 3.607 3.381 3.852 . 0 0 "[ . 1 . 2 ]" 1
489 1 63 THR HB 1 68 TYR HD1 5.500 . 5.500 3.952 3.510 4.762 . 0 0 "[ . 1 . 2 ]" 1
490 1 43 ARG HD3 1 68 TYR QE 4.500 . 4.500 3.216 2.525 3.609 . 0 0 "[ . 1 . 2 ]" 1
491 1 63 THR HB 1 68 TYR QE 6.000 . 6.000 3.844 3.352 4.359 . 0 0 "[ . 1 . 2 ]" 1
492 1 68 TYR H 1 75 VAL MG1 5.000 . 5.000 4.076 3.744 4.483 . 0 0 "[ . 1 . 2 ]" 1
493 1 68 TYR QE 1 75 VAL MG1 4.500 . 4.500 3.726 3.483 4.087 . 0 0 "[ . 1 . 2 ]" 1
494 1 68 TYR QE 1 75 VAL MG2 4.500 . 4.500 3.360 2.604 3.904 . 0 0 "[ . 1 . 2 ]" 1
495 1 68 TYR QD 1 75 VAL MG1 3.500 . 3.500 2.029 1.882 2.507 . 0 0 "[ . 1 . 2 ]" 1
496 1 68 TYR QD 1 75 VAL MG2 3.500 . 3.500 2.283 1.912 2.669 . 0 0 "[ . 1 . 2 ]" 1
497 1 68 TYR H 1 75 VAL HB 7.500 . 7.500 6.517 5.888 6.920 . 0 0 "[ . 1 . 2 ]" 1
498 1 68 TYR H 1 77 HIS HE1 5.500 . 5.500 3.502 2.878 4.121 . 0 0 "[ . 1 . 2 ]" 1
499 1 70 ALA H 1 75 VAL MG2 3.500 . 3.500 2.758 2.561 3.095 . 0 0 "[ . 1 . 2 ]" 1
500 1 74 VAL MG1 1 85 TYR QE 6.500 . 6.500 4.334 3.813 4.740 . 0 0 "[ . 1 . 2 ]" 1
501 1 74 VAL MG2 1 85 TYR QE 4.500 . 4.500 3.842 3.279 4.424 . 0 0 "[ . 1 . 2 ]" 1
502 1 74 VAL MG1 1 85 TYR QD 4.500 . 4.500 4.301 3.893 4.509 0.009 14 0 "[ . 1 . 2 ]" 1
503 1 76 VAL MG2 1 81 ALA H 5.500 . 5.500 5.363 5.041 5.507 0.007 19 0 "[ . 1 . 2 ]" 1
504 1 76 VAL MG2 1 82 VAL H 4.500 . 4.500 3.806 3.563 3.939 . 0 0 "[ . 1 . 2 ]" 1
505 1 79 VAL MG1 1 106 PHE QD 4.500 . 4.500 3.410 3.200 3.547 . 0 0 "[ . 1 . 2 ]" 1
506 1 79 VAL MG2 1 106 PHE QD 5.500 . 5.500 3.537 3.192 3.793 . 0 0 "[ . 1 . 2 ]" 1
507 1 82 VAL MG1 1 96 ILE MD 4.500 . 4.500 3.906 3.553 4.270 . 0 0 "[ . 1 . 2 ]" 1
508 1 82 VAL MG2 1 106 PHE HZ 3.500 . 3.500 2.743 2.365 3.203 . 0 0 "[ . 1 . 2 ]" 1
509 1 82 VAL HB 1 106 PHE HZ 3.500 . 3.500 2.800 2.220 3.298 . 0 0 "[ . 1 . 2 ]" 1
510 1 83 PHE QE 1 94 LEU QD 4.500 . 4.500 3.097 2.550 3.562 . 0 0 "[ . 1 . 2 ]" 1
511 1 83 PHE QD 1 94 LEU QD 4.500 . 4.500 3.028 2.484 3.516 . 0 0 "[ . 1 . 2 ]" 1
512 1 83 PHE QE 1 106 PHE HA 4.500 . 4.500 4.024 3.314 4.502 0.002 3 0 "[ . 1 . 2 ]" 1
513 1 83 PHE QE 1 106 PHE QB 5.500 . 5.500 4.807 4.367 5.118 . 0 0 "[ . 1 . 2 ]" 1
514 1 83 PHE QE 1 109 ASP HB2 . . 3.500 3.292 2.917 3.509 0.009 16 0 "[ . 1 . 2 ]" 1
515 1 83 PHE QE 1 109 ASP HB3 3.500 . 3.500 2.751 2.098 3.138 . 0 0 "[ . 1 . 2 ]" 1
516 1 83 PHE QD 1 109 ASP HB3 5.500 . 5.500 4.798 4.041 5.075 . 0 0 "[ . 1 . 2 ]" 1
517 1 86 ALA H 1 94 LEU QD 4.500 . 4.500 2.709 2.422 2.967 . 0 0 "[ . 1 . 2 ]" 1
518 1 94 LEU QD 1 106 PHE QD 5.500 . 5.500 2.904 2.542 3.226 . 0 0 "[ . 1 . 2 ]" 1
519 1 96 ILE QG 1 103 PHE QD 4.000 . 4.000 3.653 3.225 4.010 0.010 7 0 "[ . 1 . 2 ]" 1
520 1 96 ILE MD 1 106 PHE QE 3.500 . 3.500 3.168 2.842 3.361 . 0 0 "[ . 1 . 2 ]" 1
521 1 96 ILE MD 1 106 PHE QD 3.500 . 3.500 2.648 2.343 2.892 . 0 0 "[ . 1 . 2 ]" 1
522 1 96 ILE MD 1 106 PHE HZ 5.500 . 5.500 3.924 3.660 4.135 . 0 0 "[ . 1 . 2 ]" 1
523 1 96 ILE MD 1 106 PHE QB 5.500 . 5.500 2.692 2.277 3.113 . 0 0 "[ . 1 . 2 ]" 1
524 1 96 ILE MG 1 106 PHE QB 4.500 . 4.500 3.008 2.601 3.212 . 0 0 "[ . 1 . 2 ]" 1
525 1 96 ILE QG 1 106 PHE QD 4.500 . 4.500 3.691 3.146 3.931 . 0 0 "[ . 1 . 2 ]" 1
526 1 97 ALA HA 1 103 PHE HZ 4.000 . 4.000 3.408 3.120 3.684 . 0 0 "[ . 1 . 2 ]" 1
527 1 98 GLY H 1 103 PHE HZ 5.500 . 5.500 3.693 3.482 3.880 . 0 0 "[ . 1 . 2 ]" 1
528 1 98 GLY H 1 103 PHE QE 4.500 . 4.500 3.171 2.752 3.502 . 0 0 "[ . 1 . 2 ]" 1
529 1 98 GLY QA 1 103 PHE QE 4.500 . 4.500 2.747 2.393 2.967 . 0 0 "[ . 1 . 2 ]" 1
530 1 98 GLY QA 1 103 PHE HZ 3.500 . 3.500 2.934 2.582 3.238 . 0 0 "[ . 1 . 2 ]" 1
531 1 100 ALA H 1 126 THR MG 4.000 . 4.000 3.395 2.897 3.711 . 0 0 "[ . 1 . 2 ]" 1
532 1 100 ALA MB 1 129 ILE H 5.500 . 5.500 4.060 3.585 4.619 . 0 0 "[ . 1 . 2 ]" 1
533 1 103 PHE HA 1 128 MET ME 5.500 . 5.500 3.941 3.638 4.245 . 0 0 "[ . 1 . 2 ]" 1
534 1 103 PHE HZ 1 128 MET ME 5.500 . 5.500 4.374 3.918 4.919 . 0 0 "[ . 1 . 2 ]" 1
535 1 103 PHE QD 1 128 MET ME 3.000 . 3.000 2.872 2.608 3.019 0.019 14 0 "[ . 1 . 2 ]" 1
536 1 103 PHE QE 1 128 MET ME 4.500 . 4.500 3.584 3.242 3.946 . 0 0 "[ . 1 . 2 ]" 1
537 1 103 PHE HB3 1 128 MET ME 4.500 . 4.500 2.241 1.910 2.601 . 0 0 "[ . 1 . 2 ]" 1
538 1 103 PHE HB2 1 128 MET ME 3.500 . 3.500 3.327 3.043 3.510 0.010 3 0 "[ . 1 . 2 ]" 1
539 1 103 PHE QD 1 129 ILE QG 5.500 . 5.500 3.750 3.603 4.257 . 0 0 "[ . 1 . 2 ]" 1
540 1 103 PHE QD 1 129 ILE MG 4.500 . 4.500 3.824 3.508 4.321 . 0 0 "[ . 1 . 2 ]" 1
541 1 103 PHE QD 1 129 ILE MD 5.500 . 5.500 4.492 4.158 4.739 . 0 0 "[ . 1 . 2 ]" 1
542 1 104 THR H 1 129 ILE MD 4.500 . 4.500 4.073 3.702 4.488 . 0 0 "[ . 1 . 2 ]" 1
543 1 104 THR H 1 129 ILE MG 5.000 . 5.000 3.185 2.656 3.707 . 0 0 "[ . 1 . 2 ]" 1
544 1 107 LYS H 1 129 ILE MD 6.000 . 6.000 3.676 3.417 3.918 . 0 0 "[ . 1 . 2 ]" 1
545 1 110 VAL MG1 1 136 PHE QE 4.500 . 4.500 2.795 2.191 3.468 . 0 0 "[ . 1 . 2 ]" 1
546 1 111 ASP HA 1 136 PHE QE 4.500 . 4.500 3.445 3.180 3.982 . 0 0 "[ . 1 . 2 ]" 1
547 1 111 ASP HA 1 136 PHE QD 5.500 . 5.500 5.165 4.934 5.511 0.011 21 0 "[ . 1 . 2 ]" 1
548 1 111 ASP HB3 1 160 LYS H 6.000 . 6.000 4.959 4.373 5.563 . 0 0 "[ . 1 . 2 ]" 1
549 1 111 ASP HB2 1 160 LYS H 6.000 . 6.000 5.881 5.489 6.001 0.001 24 0 "[ . 1 . 2 ]" 1
550 1 111 ASP HA 1 160 LYS QB 3.500 . 3.500 2.654 2.388 2.865 . 0 0 "[ . 1 . 2 ]" 1
551 1 112 THR HA 1 136 PHE QE 5.500 . 5.500 4.404 3.991 4.915 . 0 0 "[ . 1 . 2 ]" 1
552 1 112 THR HA 1 136 PHE QD 4.500 . 4.500 4.143 3.707 4.502 0.002 3 0 "[ . 1 . 2 ]" 1
553 1 112 THR MG 1 159 GLN HA 3.500 . 3.500 3.247 2.923 3.504 0.004 1 0 "[ . 1 . 2 ]" 1
554 1 112 THR MG 1 159 GLN QE 5.500 . 5.500 3.907 3.013 4.991 . 0 0 "[ . 1 . 2 ]" 1
555 1 112 THR HA 1 159 GLN QG 5.500 . 5.500 3.361 3.053 3.844 . 0 0 "[ . 1 . 2 ]" 1
556 1 112 THR HA 1 159 GLN HB2 6.000 . 6.000 5.342 5.044 5.607 . 0 0 "[ . 1 . 2 ]" 1
557 1 112 THR HA 1 159 GLN HB3 5.500 . 5.500 4.872 4.399 5.098 . 0 0 "[ . 1 . 2 ]" 1
558 1 112 THR HA 1 160 LYS HB2 5.500 . 5.500 5.055 4.656 5.487 . 0 0 "[ . 1 . 2 ]" 1
559 1 113 LEU MD2 1 128 MET ME 5.500 . 5.500 3.423 3.124 3.839 . 0 0 "[ . 1 . 2 ]" 1
560 1 113 LEU MD1 1 131 LEU HG 6.000 . 6.000 4.876 4.504 5.148 . 0 0 "[ . 1 . 2 ]" 1
561 1 113 LEU MD1 1 131 LEU MD2 4.500 . 4.500 2.723 2.070 3.116 . 0 0 "[ . 1 . 2 ]" 1
562 1 113 LEU MD1 1 131 LEU MD1 3.500 . 3.500 2.708 2.317 3.250 . 0 0 "[ . 1 . 2 ]" 1
563 1 113 LEU MD1 1 133 TRP HA 4.500 . 4.500 3.697 3.479 3.977 . 0 0 "[ . 1 . 2 ]" 1
564 1 113 LEU MD1 1 133 TRP HE3 4.000 . 4.000 3.585 3.319 3.948 . 0 0 "[ . 1 . 2 ]" 1
565 1 113 LEU MD1 1 133 TRP HZ2 5.500 . 5.500 5.073 4.825 5.330 . 0 0 "[ . 1 . 2 ]" 1
566 1 113 LEU MD1 1 133 TRP HH2 4.500 . 4.500 4.324 4.074 4.503 0.003 21 0 "[ . 1 . 2 ]" 1
567 1 113 LEU HG 1 136 PHE QE 4.500 . 4.500 3.726 3.113 4.238 . 0 0 "[ . 1 . 2 ]" 1
568 1 113 LEU MD1 1 136 PHE QE 4.500 . 4.500 3.128 2.762 3.332 . 0 0 "[ . 1 . 2 ]" 1
569 1 113 LEU MD2 1 136 PHE QE 4.500 . 4.500 4.158 3.745 4.441 . 0 0 "[ . 1 . 2 ]" 1
570 1 113 LEU MD1 1 136 PHE QD 3.500 . 3.500 2.646 2.272 2.893 . 0 0 "[ . 1 . 2 ]" 1
571 1 113 LEU MD1 1 136 PHE HB2 4.500 . 4.500 2.845 2.675 3.058 . 0 0 "[ . 1 . 2 ]" 1
572 1 113 LEU MD1 1 136 PHE HB3 4.500 . 4.500 2.797 2.390 3.070 . 0 0 "[ . 1 . 2 ]" 1
573 1 113 LEU MD1 1 158 TRP HE3 4.500 . 4.500 4.278 3.761 4.506 0.006 15 0 "[ . 1 . 2 ]" 1
574 1 113 LEU H 1 158 TRP HB3 5.000 . 5.000 4.059 3.732 4.462 . 0 0 "[ . 1 . 2 ]" 1
575 1 113 LEU H 1 158 TRP HB2 5.000 . 5.000 2.691 2.384 2.976 . 0 0 "[ . 1 . 2 ]" 1
576 1 113 LEU MD1 1 158 TRP HD1 4.500 . 4.500 4.206 3.892 4.488 . 0 0 "[ . 1 . 2 ]" 1
577 1 113 LEU HB3 1 158 TRP HD1 4.500 . 4.500 3.817 3.442 4.188 . 0 0 "[ . 1 . 2 ]" 1
578 1 113 LEU HB2 1 158 TRP HD1 4.500 . 4.500 2.923 2.505 3.322 . 0 0 "[ . 1 . 2 ]" 1
579 1 113 LEU MD1 1 158 TRP HB2 4.500 . 4.500 2.362 2.029 2.836 . 0 0 "[ . 1 . 2 ]" 1
580 1 113 LEU MD1 1 158 TRP HB3 3.500 . 3.500 3.044 2.692 3.358 . 0 0 "[ . 1 . 2 ]" 1
581 1 113 LEU HB3 1 158 TRP H 5.500 . 5.500 4.302 4.131 4.659 . 0 0 "[ . 1 . 2 ]" 1
582 1 113 LEU HB2 1 158 TRP HB2 3.500 . 3.500 1.843 1.759 1.957 . 0 0 "[ . 1 . 2 ]" 1
583 1 113 LEU HG 1 159 GLN HA 5.500 . 5.500 5.172 4.851 5.500 . 0 0 "[ . 1 . 2 ]" 1
584 1 114 LEU HA 1 157 VAL QG 3.500 . 3.500 3.010 2.800 3.144 . 0 0 "[ . 1 . 2 ]" 1
585 1 114 LEU MD2 1 157 VAL H 5.500 . 5.500 4.415 4.115 4.739 . 0 0 "[ . 1 . 2 ]" 1
586 1 114 LEU HA 1 158 TRP HD1 5.500 . 5.500 3.794 3.587 4.158 . 0 0 "[ . 1 . 2 ]" 1
587 1 114 LEU MD2 1 158 TRP H 4.500 . 4.500 3.663 3.044 4.344 . 0 0 "[ . 1 . 2 ]" 1
588 1 115 VAL MG2 1 128 MET QB 6.500 . 6.500 4.514 4.398 4.707 . 0 0 "[ . 1 . 2 ]" 1
589 1 115 VAL MG1 1 133 TRP HZ2 5.500 . 5.500 3.816 3.445 4.183 . 0 0 "[ . 1 . 2 ]" 1
590 1 115 VAL MG2 1 133 TRP HH2 3.500 . 3.500 3.068 2.556 3.393 . 0 0 "[ . 1 . 2 ]" 1
591 1 115 VAL MG1 1 133 TRP HH2 3.500 . 3.500 2.174 1.940 2.528 . 0 0 "[ . 1 . 2 ]" 1
592 1 115 VAL MG1 1 156 GLU H 4.000 . 4.000 3.072 2.721 3.330 . 0 0 "[ . 1 . 2 ]" 1
593 1 115 VAL H 1 157 VAL QG 5.500 . 5.500 4.160 3.908 4.442 . 0 0 "[ . 1 . 2 ]" 1
594 1 115 VAL MG1 1 157 VAL H 5.500 . 5.500 5.088 4.638 5.375 . 0 0 "[ . 1 . 2 ]" 1
595 1 115 VAL H 1 158 TRP HD1 6.000 . 6.000 3.718 3.337 4.180 . 0 0 "[ . 1 . 2 ]" 1
596 1 115 VAL HB 1 158 TRP HD1 5.500 . 5.500 5.140 4.826 5.379 . 0 0 "[ . 1 . 2 ]" 1
597 1 115 VAL QG 1 158 TRP HE1 4.500 . 4.500 2.746 2.403 3.026 . 0 0 "[ . 1 . 2 ]" 1
598 1 115 VAL HB 1 158 TRP HE1 5.500 . 5.500 5.114 4.646 5.502 0.002 11 0 "[ . 1 . 2 ]" 1
599 1 116 THR MG 1 153 HIS QB 3.500 . 3.500 2.094 1.772 2.450 . 0 0 "[ . 1 . 2 ]" 1
600 1 116 THR MG 1 153 HIS HD2 3.500 . 3.500 2.190 1.922 2.800 . 0 0 "[ . 1 . 2 ]" 1
601 1 116 THR MG 1 154 THR H 4.500 . 4.500 3.039 2.501 3.301 . 0 0 "[ . 1 . 2 ]" 1
602 1 116 THR MG 1 155 TYR HA 4.500 . 4.500 2.873 2.103 3.453 . 0 0 "[ . 1 . 2 ]" 1
603 1 117 ARG HB3 1 153 HIS HA 5.500 . 5.500 5.142 4.683 5.492 . 0 0 "[ . 1 . 2 ]" 1
604 1 117 ARG H 1 154 THR HB 4.500 . 4.500 3.500 3.104 3.791 . 0 0 "[ . 1 . 2 ]" 1
605 1 118 LEU MD2 1 150 ALA MB 5.500 . 5.500 4.097 3.793 4.523 . 0 0 "[ . 1 . 2 ]" 1
606 1 118 LEU MD2 1 151 LEU MD2 4.500 . 4.500 3.225 2.966 3.469 . 0 0 "[ . 1 . 2 ]" 1
607 1 118 LEU MD2 1 151 LEU MD1 5.500 . 5.500 5.383 5.180 5.522 0.022 20 0 "[ . 1 . 2 ]" 1
608 1 118 LEU MD2 1 151 LEU HA 3.500 . 3.500 3.086 2.650 3.474 . 0 0 "[ . 1 . 2 ]" 1
609 1 118 LEU HG 1 153 HIS HA 4.500 . 4.500 3.827 3.221 4.141 . 0 0 "[ . 1 . 2 ]" 1
610 1 118 LEU MD2 1 151 LEU QB 6.500 . 6.500 4.596 4.284 4.804 . 0 0 "[ . 1 . 2 ]" 1
611 1 118 LEU MD2 1 151 LEU HG 6.500 . 6.500 5.279 4.848 5.668 . 0 0 "[ . 1 . 2 ]" 1
612 1 118 LEU MD1 1 153 HIS HD2 6.500 . 6.500 4.740 4.045 5.684 . 0 0 "[ . 1 . 2 ]" 1
613 1 118 LEU MD1 1 153 HIS HA 4.500 . 4.500 4.254 3.741 4.502 0.002 14 0 "[ . 1 . 2 ]" 1
614 1 118 LEU HB2 1 153 HIS HA 5.500 . 5.500 5.236 4.945 5.483 . 0 0 "[ . 1 . 2 ]" 1
615 1 118 LEU MD2 1 153 HIS HA 5.500 . 5.500 5.155 4.566 5.453 . 0 0 "[ . 1 . 2 ]" 1
616 1 118 LEU MD1 1 153 HIS QB 4.500 . 4.500 2.743 2.197 3.132 . 0 0 "[ . 1 . 2 ]" 1
617 1 118 LEU MD2 1 153 HIS QB . . 4.500 3.390 2.959 3.590 . 0 0 "[ . 1 . 2 ]" 1
618 1 118 LEU HG 1 154 THR H 5.500 . 5.500 4.972 4.451 5.286 . 0 0 "[ . 1 . 2 ]" 1
619 1 119 ALA MB 1 152 THR H 4.500 . 4.500 3.462 3.194 3.706 . 0 0 "[ . 1 . 2 ]" 1
620 1 119 ALA H 1 152 THR HB 4.500 . 4.500 3.156 2.676 3.500 . 0 0 "[ . 1 . 2 ]" 1
621 1 119 ALA MB 1 152 THR MG 3.500 . 3.500 2.755 2.405 2.967 . 0 0 "[ . 1 . 2 ]" 1
622 1 119 ALA H 1 153 HIS QB 5.500 . 5.500 3.672 3.359 4.227 . 0 0 "[ . 1 . 2 ]" 1
623 1 120 GLY H 1 152 THR HB 5.000 . 5.000 4.434 3.942 4.794 . 0 0 "[ . 1 . 2 ]" 1
624 1 121 SER H 1 150 ALA MB 4.500 . 4.500 3.706 3.284 4.071 . 0 0 "[ . 1 . 2 ]" 1
625 1 122 PHE QE 1 150 ALA MB 4.500 . 4.500 3.000 2.703 3.392 . 0 0 "[ . 1 . 2 ]" 1
626 1 122 PHE QE 1 150 ALA HA 5.500 . 5.500 4.590 4.134 4.943 . 0 0 "[ . 1 . 2 ]" 1
627 1 122 PHE HZ 1 151 LEU HA 4.500 . 4.500 4.255 3.726 4.515 0.015 3 0 "[ . 1 . 2 ]" 1
628 1 131 LEU MD2 1 136 PHE QE 4.500 . 4.500 3.969 3.490 4.258 . 0 0 "[ . 1 . 2 ]" 1
629 1 131 LEU MD2 1 136 PHE QD 5.500 . 5.500 4.591 4.077 4.933 . 0 0 "[ . 1 . 2 ]" 1
630 1 133 TRP HE3 1 158 TRP HH2 5.500 . 5.500 4.085 3.507 4.420 . 0 0 "[ . 1 . 2 ]" 1
631 1 133 TRP HE3 1 158 TRP HE3 4.500 . 4.500 3.767 3.607 4.097 . 0 0 "[ . 1 . 2 ]" 1
632 1 133 TRP HZ3 1 158 TRP HE1 4.500 . 4.500 2.669 2.418 3.150 . 0 0 "[ . 1 . 2 ]" 1
633 1 133 TRP HZ3 1 158 TRP HD1 4.500 . 4.500 2.914 2.675 3.378 . 0 0 "[ . 1 . 2 ]" 1
634 1 133 TRP HE3 1 158 TRP HZ3 4.500 . 4.500 4.118 3.683 4.499 . 0 0 "[ . 1 . 2 ]" 1
635 1 136 PHE H 1 158 TRP HE3 5.500 . 5.500 4.375 4.182 4.702 . 0 0 "[ . 1 . 2 ]" 1
636 1 136 PHE HB2 1 158 TRP HE3 3.500 . 3.500 2.994 2.749 3.388 . 0 0 "[ . 1 . 2 ]" 1
637 1 136 PHE HB3 1 158 TRP HE3 3.500 . 3.500 2.758 2.418 3.264 . 0 0 "[ . 1 . 2 ]" 1
638 1 136 PHE HA 1 158 TRP HE3 5.500 . 5.500 4.187 4.029 4.590 . 0 0 "[ . 1 . 2 ]" 1
639 1 136 PHE QD 1 159 GLN H 5.500 . 5.500 3.636 3.388 3.912 . 0 0 "[ . 1 . 2 ]" 1
640 1 136 PHE QE 1 160 LYS H 4.500 . 4.500 3.439 2.976 3.814 . 0 0 "[ . 1 . 2 ]" 1
641 1 136 PHE QD 1 160 LYS H 3.500 . 3.500 3.267 2.947 3.500 . 0 0 "[ . 1 . 2 ]" 1
642 1 136 PHE QE 1 160 LYS QG 3.500 . 3.500 2.901 2.211 3.366 . 0 0 "[ . 1 . 2 ]" 1
643 1 136 PHE QE 1 160 LYS HB3 4.500 . 4.500 3.788 3.571 4.179 . 0 0 "[ . 1 . 2 ]" 1
644 1 136 PHE HA 1 160 LYS HB3 6.000 . 6.000 5.758 5.601 5.944 . 0 0 "[ . 1 . 2 ]" 1
645 1 136 PHE QD 1 160 LYS HA 3.500 . 3.500 2.715 2.035 3.120 . 0 0 "[ . 1 . 2 ]" 1
646 1 136 PHE HA 1 161 LYS QG 4.500 . 4.500 3.408 3.021 3.732 . 0 0 "[ . 1 . 2 ]" 1
647 1 136 PHE HA 1 161 LYS QD 5.500 . 5.500 5.282 4.638 5.514 0.014 10 0 "[ . 1 . 2 ]" 1
648 1 136 PHE H 1 161 LYS QG 5.500 . 5.500 5.411 4.888 5.504 0.004 18 0 "[ . 1 . 2 ]" 1
649 1 136 PHE HA 1 161 LYS HB2 5.500 . 5.500 4.658 3.940 5.366 . 0 0 "[ . 1 . 2 ]" 1
650 1 137 THR H 1 158 TRP HE3 4.500 . 4.500 2.885 2.750 3.248 . 0 0 "[ . 1 . 2 ]" 1
651 1 137 THR H 1 158 TRP HB2 5.500 . 5.500 4.650 4.416 4.988 . 0 0 "[ . 1 . 2 ]" 1
652 1 137 THR MG 1 158 TRP HA 5.500 . 5.500 5.194 5.008 5.321 . 0 0 "[ . 1 . 2 ]" 1
653 1 137 THR HA 1 158 TRP HZ3 3.500 . 3.500 2.566 2.270 3.093 . 0 0 "[ . 1 . 2 ]" 1
654 1 137 THR HA 1 158 TRP HE3 3.500 . 3.500 2.452 2.272 2.600 . 0 0 "[ . 1 . 2 ]" 1
655 1 137 THR MG 1 159 GLN H 5.500 . 5.500 4.977 4.832 5.063 . 0 0 "[ . 1 . 2 ]" 1
656 1 137 THR H 1 159 GLN HB3 6.000 . 6.000 5.271 5.072 5.491 . 0 0 "[ . 1 . 2 ]" 1
657 1 137 THR HB 1 159 GLN H 5.500 . 5.500 3.990 3.869 4.181 . 0 0 "[ . 1 . 2 ]" 1
658 1 137 THR H 1 159 GLN HB2 6.000 . 6.000 4.295 4.025 4.534 . 0 0 "[ . 1 . 2 ]" 1
659 1 138 LYS QG 1 156 GLU HB2 4.500 . 4.500 3.994 3.335 4.358 . 0 0 "[ . 1 . 2 ]" 1
660 1 138 LYS QG 1 156 GLU HA 4.500 . 4.500 3.050 2.756 3.359 . 0 0 "[ . 1 . 2 ]" 1
661 1 138 LYS QG 1 157 VAL H 5.500 . 5.500 2.420 1.931 2.567 . 0 0 "[ . 1 . 2 ]" 1
662 1 138 LYS QB 1 158 TRP HH2 4.500 . 4.500 3.593 3.339 3.778 . 0 0 "[ . 1 . 2 ]" 1
663 1 138 LYS QG 1 158 TRP HE1 5.500 . 5.500 3.085 2.319 3.721 . 0 0 "[ . 1 . 2 ]" 1
664 1 138 LYS QG 1 158 TRP HD1 5.500 . 5.500 3.734 3.130 4.288 . 0 0 "[ . 1 . 2 ]" 1
665 1 138 LYS QG 1 158 TRP HA 4.500 . 4.500 3.504 3.232 3.782 . 0 0 "[ . 1 . 2 ]" 1
666 1 138 LYS HB2 1 158 TRP HA 6.500 . 6.500 4.294 4.007 4.539 . 0 0 "[ . 1 . 2 ]" 1
667 1 138 LYS HB3 1 158 TRP HZ2 5.000 . 5.000 4.706 4.424 5.001 0.001 10 0 "[ . 1 . 2 ]" 1
668 1 138 LYS HB3 1 158 TRP HZ3 5.500 . 5.500 5.044 4.650 5.331 . 0 0 "[ . 1 . 2 ]" 1
669 1 138 LYS HB3 1 158 TRP HH2 5.000 . 5.000 4.838 4.665 5.007 0.007 22 0 "[ . 1 . 2 ]" 1
670 1 138 LYS HA 1 158 TRP HE3 4.500 . 4.500 3.743 3.531 3.951 . 0 0 "[ . 1 . 2 ]" 1
671 1 138 LYS HA 1 158 TRP HD1 5.500 . 5.500 4.099 3.860 4.421 . 0 0 "[ . 1 . 2 ]" 1
672 1 139 VAL QG 1 159 GLN QE 3.500 . 3.500 2.847 1.817 3.507 0.007 11 0 "[ . 1 . 2 ]" 1
673 1 140 SER QB 1 157 VAL H 4.500 . 4.500 3.998 3.654 4.456 . 0 0 "[ . 1 . 2 ]" 1
674 1 140 SER H 1 157 VAL HB 4.000 . 4.000 2.634 2.420 2.803 . 0 0 "[ . 1 . 2 ]" 1
675 1 141 SER HB3 1 156 GLU HA 4.500 . 4.500 3.667 2.522 4.512 0.012 6 0 "[ . 1 . 2 ]" 1
676 1 141 SER HB2 1 156 GLU HA 4.500 . 4.500 3.890 2.614 4.450 . 0 0 "[ . 1 . 2 ]" 1
677 1 142 ARG H 1 154 THR MG 4.500 . 4.500 3.107 2.734 3.425 . 0 0 "[ . 1 . 2 ]" 1
678 1 142 ARG H 1 155 TYR HB3 4.500 . 4.500 4.127 3.850 4.469 . 0 0 "[ . 1 . 2 ]" 1
679 1 142 ARG HB2 1 155 TYR QD 4.500 . 4.500 3.931 3.255 4.316 . 0 0 "[ . 1 . 2 ]" 1
680 1 142 ARG HG2 1 155 TYR QD 4.500 . 4.500 4.033 3.498 4.506 0.006 18 0 "[ . 1 . 2 ]" 1
681 1 142 ARG H 1 155 TYR HB2 5.500 . 5.500 2.642 2.439 2.855 . 0 0 "[ . 1 . 2 ]" 1
682 1 142 ARG HB3 1 155 TYR H 4.500 . 4.500 3.718 3.424 3.893 . 0 0 "[ . 1 . 2 ]" 1
683 1 143 THR H 1 154 THR MG 5.000 . 5.000 3.421 3.291 3.589 . 0 0 "[ . 1 . 2 ]" 1
684 1 144 VAL H 1 152 THR MG 5.500 . 5.500 4.261 3.882 4.541 . 0 0 "[ . 1 . 2 ]" 1
685 1 144 VAL HB 1 153 HIS HE1 6.000 . 6.000 5.465 3.630 5.999 . 0 0 "[ . 1 . 2 ]" 1
686 1 144 VAL QG 1 153 HIS HE1 3.500 . 3.500 2.830 2.495 3.503 0.003 9 0 "[ . 1 . 2 ]" 1
687 1 144 VAL QG 1 153 HIS HD2 3.500 . 3.500 3.374 2.917 3.513 0.013 9 0 "[ . 1 . 2 ]" 1
688 1 144 VAL HB 1 153 HIS HD2 6.500 . 6.500 5.676 3.510 6.259 . 0 0 "[ . 1 . 2 ]" 1
689 1 144 VAL H 1 154 THR MG 6.500 . 6.500 3.747 3.601 3.909 . 0 0 "[ . 1 . 2 ]" 1
690 1 144 VAL QG 1 155 TYR H 5.500 . 5.500 4.518 4.127 5.398 . 0 0 "[ . 1 . 2 ]" 1
691 1 145 GLU H 1 152 THR MG 5.500 . 5.500 4.269 4.109 4.530 . 0 0 "[ . 1 . 2 ]" 1
692 1 145 GLU HA 1 152 THR MG 4.500 . 4.500 1.943 1.840 2.294 . 0 0 "[ . 1 . 2 ]" 1
693 1 146 ASP HB3 1 151 LEU H 4.500 . 4.500 4.365 4.175 4.512 0.012 20 0 "[ . 1 . 2 ]" 1
694 1 146 ASP HB2 1 151 LEU H 5.500 . 5.500 5.272 5.028 5.505 0.005 20 0 "[ . 1 . 2 ]" 1
695 1 146 ASP QB 1 152 THR H 5.500 . 5.500 3.686 3.318 4.152 . 0 0 "[ . 1 . 2 ]" 1
696 1 146 ASP H 1 152 THR HG1 5.500 . 5.500 3.009 1.937 4.147 . 0 0 "[ . 1 . 2 ]" 1
697 1 146 ASP HB3 1 153 HIS HE1 5.500 . 5.500 5.056 4.624 5.395 . 0 0 "[ . 1 . 2 ]" 1
698 1 146 ASP HB2 1 153 HIS HE1 4.500 . 4.500 3.673 3.213 4.040 . 0 0 "[ . 1 . 2 ]" 1
699 1 8 ASP H 1 12 LEU H 3.500 . 3.500 2.309 2.202 2.516 . 0 0 "[ . 1 . 2 ]" 1
700 1 8 ASP H 1 11 GLY H 5.500 . 5.500 3.247 3.167 3.386 . 0 0 "[ . 1 . 2 ]" 1
701 1 15 LYS H 1 18 HIS H 5.500 . 5.500 5.377 4.872 5.527 0.027 5 0 "[ . 1 . 2 ]" 1
702 1 78 ASP H 1 81 ALA H 5.500 . 5.500 4.302 4.175 4.388 . 0 0 "[ . 1 . 2 ]" 1
703 1 99 GLY H 1 102 ILE H 4.500 . 4.500 3.665 3.538 3.827 . 0 0 "[ . 1 . 2 ]" 1
704 1 148 ASN H 1 151 LEU H 5.500 . 5.500 4.512 4.338 4.598 . 0 0 "[ . 1 . 2 ]" 1
705 1 9 ARG H 1 11 GLY H 4.500 . 4.500 4.080 4.000 4.153 . 0 0 "[ . 1 . 2 ]" 1
706 1 10 ASP H 1 12 LEU H 4.500 . 4.500 4.171 4.060 4.285 . 0 0 "[ . 1 . 2 ]" 1
707 1 15 LYS H 1 17 GLY H 5.500 . 5.500 4.454 3.573 5.085 . 0 0 "[ . 1 . 2 ]" 1
708 1 16 ASP H 1 18 HIS H 6.000 . 6.000 5.788 5.516 5.926 . 0 0 "[ . 1 . 2 ]" 1
709 1 26 ASP H 1 28 HIS H 5.500 . 5.500 4.127 3.955 4.284 . 0 0 "[ . 1 . 2 ]" 1
710 1 27 LEU H 1 29 TYR H 5.500 . 5.500 4.113 4.013 4.196 . 0 0 "[ . 1 . 2 ]" 1
711 1 29 TYR H 1 31 ARG H 5.500 . 5.500 4.318 4.196 4.404 . 0 0 "[ . 1 . 2 ]" 1
712 1 30 PHE H 1 32 ALA H 5.500 . 5.500 4.354 3.920 4.622 . 0 0 "[ . 1 . 2 ]" 1
713 1 32 ALA H 1 34 THR H 4.500 . 4.500 4.094 3.910 4.191 . 0 0 "[ . 1 . 2 ]" 1
714 1 33 GLN H 1 35 VAL H 5.500 . 5.500 4.488 4.373 4.593 . 0 0 "[ . 1 . 2 ]" 1
715 1 46 TYR H 1 48 SER H 5.500 . 5.500 3.929 3.765 4.045 . 0 0 "[ . 1 . 2 ]" 1
716 1 66 GLU H 1 68 TYR H 5.500 . 5.500 3.928 3.729 4.024 . 0 0 "[ . 1 . 2 ]" 1
717 1 80 ALA H 1 82 VAL H 5.500 . 5.500 4.311 4.276 4.397 . 0 0 "[ . 1 . 2 ]" 1
718 1 81 ALA H 1 83 PHE H 5.500 . 5.500 4.198 4.100 4.509 . 0 0 "[ . 1 . 2 ]" 1
719 1 82 VAL H 1 84 ALA H 4.500 . 4.500 4.174 3.990 4.413 . 0 0 "[ . 1 . 2 ]" 1
720 1 85 TYR H 1 87 LYS H 4.500 . 4.500 4.255 3.825 4.498 . 0 0 "[ . 1 . 2 ]" 1
721 1 86 ALA H 1 88 GLN H 5.500 . 5.500 3.995 3.938 4.067 . 0 0 "[ . 1 . 2 ]" 1
722 1 87 LYS H 1 89 HIS H 5.500 . 5.500 4.182 4.017 4.403 . 0 0 "[ . 1 . 2 ]" 1
723 1 100 ALA H 1 102 ILE H 5.500 . 5.500 4.360 4.298 4.456 . 0 0 "[ . 1 . 2 ]" 1
724 1 101 GLN H 1 103 PHE H 5.500 . 5.500 4.116 4.000 4.205 . 0 0 "[ . 1 . 2 ]" 1
725 1 103 PHE H 1 105 ALA H 5.500 . 5.500 4.484 4.397 4.588 . 0 0 "[ . 1 . 2 ]" 1
726 1 104 THR H 1 106 PHE H 5.500 . 5.500 3.815 3.697 3.892 . 0 0 "[ . 1 . 2 ]" 1
727 1 107 LYS H 1 109 ASP H 5.500 . 5.500 4.382 4.298 4.474 . 0 0 "[ . 1 . 2 ]" 1
728 1 108 ASP H 1 110 VAL H 6.500 . 6.500 5.815 5.635 5.932 . 0 0 "[ . 1 . 2 ]" 1
729 1 150 ALA H 1 152 THR H 4.500 . 4.500 4.088 3.986 4.201 . 0 0 "[ . 1 . 2 ]" 1
730 1 15 LYS H 1 19 LEU HA 4.500 . 4.500 3.123 2.839 3.716 . 0 0 "[ . 1 . 2 ]" 1
731 1 24 PRO HA 1 28 HIS H 5.500 . 5.500 4.377 4.187 4.581 . 0 0 "[ . 1 . 2 ]" 1
732 1 26 ASP HA 1 30 PHE H 5.500 . 5.500 4.294 4.143 4.459 . 0 0 "[ . 1 . 2 ]" 1
733 1 27 LEU HA 1 31 ARG H 5.000 . 5.000 4.197 4.028 4.455 . 0 0 "[ . 1 . 2 ]" 1
734 1 28 HIS HA 1 32 ALA H 5.000 . 5.000 3.700 3.503 3.938 . 0 0 "[ . 1 . 2 ]" 1
735 1 29 TYR HA 1 33 GLN H 5.500 . 5.500 3.784 3.649 3.924 . 0 0 "[ . 1 . 2 ]" 1
736 1 31 ARG HA 1 35 VAL H 5.500 . 5.500 5.286 4.932 5.506 0.006 12 0 "[ . 1 . 2 ]" 1
737 1 45 THR HA 1 49 PHE H 5.500 . 5.500 4.150 3.949 4.481 . 0 0 "[ . 1 . 2 ]" 1
738 1 81 ALA HA 1 85 TYR H 5.500 . 5.500 4.675 4.425 4.839 . 0 0 "[ . 1 . 2 ]" 1
739 1 82 VAL HA 1 86 ALA H 5.000 . 5.000 4.542 4.402 4.626 . 0 0 "[ . 1 . 2 ]" 1
740 1 83 PHE HA 1 87 LYS H 5.000 . 5.000 4.264 4.148 4.417 . 0 0 "[ . 1 . 2 ]" 1
741 1 84 ALA HA 1 88 GLN H 5.500 . 5.500 4.392 4.179 4.633 . 0 0 "[ . 1 . 2 ]" 1
742 1 102 ILE HA 1 106 PHE H 5.000 . 5.000 4.194 4.041 4.324 . 0 0 "[ . 1 . 2 ]" 1
743 1 24 PRO HA 1 27 LEU H 4.500 . 4.500 3.341 3.209 3.496 . 0 0 "[ . 1 . 2 ]" 1
744 1 26 ASP HA 1 29 TYR H 3.500 . 3.500 3.222 3.128 3.316 . 0 0 "[ . 1 . 2 ]" 1
745 1 27 LEU HA 1 30 PHE H 3.500 . 3.500 3.295 3.236 3.386 . 0 0 "[ . 1 . 2 ]" 1
746 1 28 HIS HA 1 31 ARG H 4.500 . 4.500 3.403 3.339 3.472 . 0 0 "[ . 1 . 2 ]" 1
747 1 29 TYR HA 1 32 ALA H 4.500 . 4.500 3.893 3.536 4.183 . 0 0 "[ . 1 . 2 ]" 1
748 1 30 PHE HA 1 33 GLN H 4.500 . 4.500 3.762 3.565 3.869 . 0 0 "[ . 1 . 2 ]" 1
749 1 31 ARG HA 1 34 THR H 4.500 . 4.500 3.501 3.358 3.699 . 0 0 "[ . 1 . 2 ]" 1
750 1 32 ALA HA 1 35 VAL H 5.500 . 5.500 3.886 3.763 4.002 . 0 0 "[ . 1 . 2 ]" 1
751 1 43 ARG HA 1 46 TYR H 4.500 . 4.500 3.793 3.587 4.030 . 0 0 "[ . 1 . 2 ]" 1
752 1 44 ARG HA 1 47 GLU H 4.500 . 4.500 3.717 3.310 3.917 . 0 0 "[ . 1 . 2 ]" 1
753 1 45 THR HA 1 48 SER H 3.500 . 3.500 3.208 3.106 3.320 . 0 0 "[ . 1 . 2 ]" 1
754 1 65 GLN HA 1 68 TYR H 6.500 . 6.500 5.534 5.333 5.681 . 0 0 "[ . 1 . 2 ]" 1
755 1 79 VAL HA 1 82 VAL H 4.500 . 4.500 3.302 3.231 3.416 . 0 0 "[ . 1 . 2 ]" 1
756 1 80 ALA HA 1 83 PHE H 4.500 . 4.500 3.696 3.611 3.907 . 0 0 "[ . 1 . 2 ]" 1
757 1 82 VAL HA 1 85 TYR H 4.500 . 4.500 3.599 3.268 3.866 . 0 0 "[ . 1 . 2 ]" 1
758 1 83 PHE HA 1 86 ALA H 4.500 . 4.500 3.826 3.722 3.964 . 0 0 "[ . 1 . 2 ]" 1
759 1 84 ALA HA 1 87 LYS H 4.500 . 4.500 3.661 3.582 3.778 . 0 0 "[ . 1 . 2 ]" 1
760 1 86 ALA HA 1 89 HIS H 4.500 . 4.500 3.289 3.152 3.447 . 0 0 "[ . 1 . 2 ]" 1
761 1 100 ALA HA 1 103 PHE H 4.500 . 4.500 3.220 3.123 3.297 . 0 0 "[ . 1 . 2 ]" 1
762 1 101 GLN HA 1 104 THR H 4.500 . 4.500 3.692 3.648 3.743 . 0 0 "[ . 1 . 2 ]" 1
763 1 103 PHE HA 1 106 PHE H 4.500 . 4.500 3.736 3.616 3.836 . 0 0 "[ . 1 . 2 ]" 1
764 1 104 THR HA 1 107 LYS H 4.500 . 4.500 3.314 3.175 3.519 . 0 0 "[ . 1 . 2 ]" 1
765 1 107 LYS HA 1 110 VAL H 6.500 . 6.500 5.511 4.951 5.829 . 0 0 "[ . 1 . 2 ]" 1
766 1 133 TRP HA 1 136 PHE H 3.500 . 3.500 3.197 3.128 3.258 . 0 0 "[ . 1 . 2 ]" 1
767 1 149 PRO HA 1 152 THR H 4.500 . 4.500 4.210 4.054 4.369 . 0 0 "[ . 1 . 2 ]" 1
768 1 12 LEU HA 1 14 GLY H 5.000 . 5.000 4.528 3.951 4.948 . 0 0 "[ . 1 . 2 ]" 1
769 1 19 LEU HA 1 21 TRP H 5.500 . 5.500 4.273 4.067 4.425 . 0 0 "[ . 1 . 2 ]" 1
770 1 23 LEU HA 1 25 ASP H 5.500 . 5.500 3.661 3.545 3.768 . 0 0 "[ . 1 . 2 ]" 1
771 1 26 ASP HA 1 28 HIS H 5.500 . 5.500 4.410 4.178 4.629 . 0 0 "[ . 1 . 2 ]" 1
772 1 31 ARG HA 1 33 GLN H 5.500 . 5.500 4.397 4.245 4.619 . 0 0 "[ . 1 . 2 ]" 1
773 1 33 GLN HA 1 35 VAL H 5.500 . 5.500 4.002 3.916 4.129 . 0 0 "[ . 1 . 2 ]" 1
774 1 35 VAL HA 1 37 LYS H 4.000 . 4.000 3.591 3.481 3.715 . 0 0 "[ . 1 . 2 ]" 1
775 1 43 ARG HA 1 45 THR H 5.500 . 5.500 4.664 4.563 4.742 . 0 0 "[ . 1 . 2 ]" 1
776 1 47 GLU HA 1 49 PHE H 4.500 . 4.500 4.179 4.063 4.279 . 0 0 "[ . 1 . 2 ]" 1
777 1 49 PHE HA 1 51 LYS H 5.000 . 5.000 4.676 4.432 4.880 . 0 0 "[ . 1 . 2 ]" 1
778 1 52 ARG HA 1 54 LEU H 4.500 . 4.500 3.663 3.531 3.774 . 0 0 "[ . 1 . 2 ]" 1
779 1 55 PRO HA 1 57 ARG H 5.000 . 5.000 3.921 3.341 4.581 . 0 0 "[ . 1 . 2 ]" 1
780 1 63 THR HA 1 65 GLN H 5.500 . 5.500 3.923 3.864 4.017 . 0 0 "[ . 1 . 2 ]" 1
781 1 65 GLN HA 1 67 ASP H 4.500 . 4.500 4.285 4.084 4.463 . 0 0 "[ . 1 . 2 ]" 1
782 1 66 GLU HA 1 68 TYR H 4.500 . 4.500 3.826 3.657 4.031 . 0 0 "[ . 1 . 2 ]" 1
783 1 67 ASP HA 1 69 GLN H 6.000 . 6.000 5.514 5.300 5.648 . 0 0 "[ . 1 . 2 ]" 1
784 1 71 GLN HA 1 73 ALA H 4.500 . 4.500 3.734 3.602 3.847 . 0 0 "[ . 1 . 2 ]" 1
785 1 76 VAL HA 1 78 ASP H 5.500 . 5.500 4.247 4.014 4.369 . 0 0 "[ . 1 . 2 ]" 1
786 1 78 ASP HA 1 80 ALA H 4.500 . 4.500 3.695 3.580 3.812 . 0 0 "[ . 1 . 2 ]" 1
787 1 79 VAL HA 1 81 ALA H 5.500 . 5.500 4.266 4.190 4.350 . 0 0 "[ . 1 . 2 ]" 1
788 1 82 VAL HA 1 84 ALA H 4.500 . 4.500 4.177 3.942 4.463 . 0 0 "[ . 1 . 2 ]" 1
789 1 83 PHE HA 1 85 TYR H 5.500 . 5.500 4.573 3.996 5.008 . 0 0 "[ . 1 . 2 ]" 1
790 1 84 ALA HA 1 86 ALA H 5.500 . 5.500 4.820 4.741 4.911 . 0 0 "[ . 1 . 2 ]" 1
791 1 86 ALA HA 1 88 GLN H 4.500 . 4.500 4.021 3.865 4.109 . 0 0 "[ . 1 . 2 ]" 1
792 1 89 HIS HA 1 91 ASP H 4.500 . 4.500 3.507 3.395 4.273 . 0 0 "[ . 1 . 2 ]" 1
793 1 96 ILE HA 1 98 GLY H 4.500 . 4.500 3.648 3.251 3.725 . 0 0 "[ . 1 . 2 ]" 1
794 1 106 PHE HA 1 108 ASP H 4.500 . 4.500 3.880 3.817 3.979 . 0 0 "[ . 1 . 2 ]" 1
795 1 107 LYS HA 1 109 ASP H 4.500 . 4.500 4.398 4.216 4.500 0.000 14 0 "[ . 1 . 2 ]" 1
796 1 118 LEU HA 1 120 GLY H 5.000 . 5.000 4.133 4.063 4.199 . 0 0 "[ . 1 . 2 ]" 1
797 1 132 ASN HA 1 134 ASP H 3.500 . 3.500 3.278 3.215 3.344 . 0 0 "[ . 1 . 2 ]" 1
798 1 133 TRP HA 1 135 ASP H 4.500 . 4.500 3.909 3.841 3.982 . 0 0 "[ . 1 . 2 ]" 1
799 1 134 ASP HA 1 136 PHE H 4.500 . 4.500 3.936 3.795 4.064 . 0 0 "[ . 1 . 2 ]" 1
800 1 138 LYS HA 1 140 SER H 4.500 . 4.500 3.688 3.622 3.756 . 0 0 "[ . 1 . 2 ]" 1
801 1 146 ASP HA 1 148 ASN H 5.500 . 5.500 3.945 3.888 4.215 . 0 0 "[ . 1 . 2 ]" 1
802 1 148 ASN HA 1 150 ALA H 4.500 . 4.500 4.181 3.905 4.334 . 0 0 "[ . 1 . 2 ]" 1
803 1 149 PRO HA 1 151 LEU H 5.500 . 5.500 4.606 4.486 4.704 . 0 0 "[ . 1 . 2 ]" 1
804 1 150 ALA HA 1 152 THR H 4.500 . 4.500 3.526 3.444 3.643 . 0 0 "[ . 1 . 2 ]" 1
805 1 8 ASP H 1 12 LEU HB3 4.500 . 4.500 3.252 3.005 3.820 . 0 0 "[ . 1 . 2 ]" 1
806 1 7 GLN HB2 1 11 GLY H 4.500 . 4.500 3.552 3.410 3.669 . 0 0 "[ . 1 . 2 ]" 1
807 1 10 ASP HB2 1 12 LEU H 5.500 . 5.500 3.929 3.619 4.208 . 0 0 "[ . 1 . 2 ]" 1
808 1 10 ASP HB3 1 12 LEU H 5.500 . 5.500 4.287 4.061 4.538 . 0 0 "[ . 1 . 2 ]" 1
809 1 19 LEU HB2 1 21 TRP H 4.500 . 4.500 4.087 3.777 4.328 . 0 0 "[ . 1 . 2 ]" 1
810 1 19 LEU HB3 1 21 TRP H 3.500 . 3.500 2.625 2.454 2.766 . 0 0 "[ . 1 . 2 ]" 1
811 1 23 LEU HB2 1 26 ASP H 5.500 . 5.500 4.532 4.415 4.634 . 0 0 "[ . 1 . 2 ]" 1
812 1 28 HIS HB3 1 32 ALA H 5.500 . 5.500 4.628 4.436 4.860 . 0 0 "[ . 1 . 2 ]" 1
813 1 38 ILE MG 1 40 VAL H 5.500 . 5.500 3.966 3.680 4.195 . 0 0 "[ . 1 . 2 ]" 1
814 1 42 GLY H 1 45 THR HB 3.500 . 3.500 3.197 2.328 3.506 0.006 24 0 "[ . 1 . 2 ]" 1
815 1 41 VAL HB 1 45 THR H 5.000 . 5.000 4.567 4.322 4.991 . 0 0 "[ . 1 . 2 ]" 1
816 1 49 PHE QB 1 51 LYS H 4.000 . 4.000 3.507 3.227 3.971 . 0 0 "[ . 1 . 2 ]" 1
817 1 49 PHE QB 1 52 ARG H 5.500 . 5.500 4.169 3.750 4.718 . 0 0 "[ . 1 . 2 ]" 1
818 1 49 PHE H 1 52 ARG QB 6.000 . 6.000 5.559 4.921 5.957 . 0 0 "[ . 1 . 2 ]" 1
819 1 53 PRO QB 1 57 ARG H 5.500 . 5.500 5.041 4.390 5.501 0.001 13 0 "[ . 1 . 2 ]" 1
820 1 63 THR HB 1 65 GLN H 5.500 . 5.500 4.083 3.998 4.161 . 0 0 "[ . 1 . 2 ]" 1
821 1 65 GLN H 1 68 TYR QB 6.500 . 6.500 4.307 4.091 4.423 . 0 0 "[ . 1 . 2 ]" 1
822 1 65 GLN QB 1 67 ASP H 3.500 . 3.500 2.612 2.327 2.791 . 0 0 "[ . 1 . 2 ]" 1
823 1 67 ASP HB3 1 69 GLN H 5.500 . 5.500 5.059 4.751 5.284 . 0 0 "[ . 1 . 2 ]" 1
824 1 74 VAL HB 1 76 VAL H 6.000 . 6.000 5.677 5.544 5.898 . 0 0 "[ . 1 . 2 ]" 1
825 1 77 HIS H 1 81 ALA MB 4.500 . 4.500 3.632 3.443 3.808 . 0 0 "[ . 1 . 2 ]" 1
826 1 76 VAL HB 1 78 ASP H 3.500 . 3.500 2.740 2.622 2.862 . 0 0 "[ . 1 . 2 ]" 1
827 1 78 ASP H 1 81 ALA MB 3.500 . 3.500 3.383 3.241 3.501 0.001 11 0 "[ . 1 . 2 ]" 1
828 1 78 ASP QB 1 80 ALA H 3.500 . 3.500 2.995 2.752 3.245 . 0 0 "[ . 1 . 2 ]" 1
829 1 78 ASP QB 1 81 ALA H 4.500 . 4.500 2.464 2.353 2.653 . 0 0 "[ . 1 . 2 ]" 1
830 1 79 VAL HB 1 81 ALA H 5.500 . 5.500 5.236 5.049 5.312 . 0 0 "[ . 1 . 2 ]" 1
831 1 80 ALA MB 1 82 VAL H 5.500 . 5.500 4.635 4.601 4.703 . 0 0 "[ . 1 . 2 ]" 1
832 1 83 PHE H 1 86 ALA MB 5.500 . 5.500 5.219 5.022 5.450 . 0 0 "[ . 1 . 2 ]" 1
833 1 84 ALA H 1 86 ALA MB 5.500 . 5.500 5.093 4.977 5.302 . 0 0 "[ . 1 . 2 ]" 1
834 1 84 ALA MB 1 86 ALA H 5.500 . 5.500 4.761 4.596 5.029 . 0 0 "[ . 1 . 2 ]" 1
835 1 84 ALA MB 1 87 LYS H 5.500 . 5.500 4.734 4.626 4.891 . 0 0 "[ . 1 . 2 ]" 1
836 1 84 ALA MB 1 88 GLN H 5.500 . 5.500 4.757 4.514 4.920 . 0 0 "[ . 1 . 2 ]" 1
837 1 86 ALA MB 1 89 HIS H 5.500 . 5.500 4.479 4.351 4.655 . 0 0 "[ . 1 . 2 ]" 1
838 1 89 HIS HB2 1 92 GLN H 4.500 . 4.500 3.753 3.600 3.999 . 0 0 "[ . 1 . 2 ]" 1
839 1 89 HIS HB3 1 92 GLN H 5.500 . 5.500 2.322 2.100 2.562 . 0 0 "[ . 1 . 2 ]" 1
840 1 99 GLY H 1 102 ILE HB 4.500 . 4.500 4.023 3.848 4.251 . 0 0 "[ . 1 . 2 ]" 1
841 1 103 PHE QB 1 105 ALA H 5.500 . 5.500 5.153 5.064 5.240 . 0 0 "[ . 1 . 2 ]" 1
842 1 105 ALA MB 1 107 LYS H 5.500 . 5.500 4.409 4.303 4.608 . 0 0 "[ . 1 . 2 ]" 1
843 1 107 LYS H 1 109 ASP QB 6.500 . 6.500 5.746 5.614 5.997 . 0 0 "[ . 1 . 2 ]" 1
844 1 110 VAL HB 1 112 THR H 5.500 . 5.500 4.893 4.576 5.258 . 0 0 "[ . 1 . 2 ]" 1
845 1 118 LEU HB3 1 120 GLY H 4.500 . 4.500 2.647 2.554 2.723 . 0 0 "[ . 1 . 2 ]" 1
846 1 118 LEU HB2 1 120 GLY H 4.500 . 4.500 3.868 3.553 4.107 . 0 0 "[ . 1 . 2 ]" 1
847 1 131 LEU HB3 1 133 TRP H 5.500 . 5.500 3.613 3.445 3.785 . 0 0 "[ . 1 . 2 ]" 1
848 1 131 LEU HB2 1 133 TRP H 5.500 . 5.500 4.220 4.049 4.399 . 0 0 "[ . 1 . 2 ]" 1
849 1 132 ASN HB3 1 135 ASP H 4.500 . 4.500 2.867 2.610 3.179 . 0 0 "[ . 1 . 2 ]" 1
850 1 133 TRP HB3 1 136 PHE H 5.500 . 5.500 4.820 4.749 4.928 . 0 0 "[ . 1 . 2 ]" 1
851 1 146 ASP HB2 1 148 ASN H 4.500 . 4.500 3.930 3.811 4.164 . 0 0 "[ . 1 . 2 ]" 1
852 1 146 ASP HB3 1 148 ASN H 3.500 . 3.500 2.213 2.120 2.438 . 0 0 "[ . 1 . 2 ]" 1
853 1 148 ASN H 1 151 LEU HB2 5.500 . 5.500 3.069 2.873 3.263 . 0 0 "[ . 1 . 2 ]" 1
854 1 148 ASN HB2 1 150 ALA H 5.500 . 5.500 5.076 4.706 5.200 . 0 0 "[ . 1 . 2 ]" 1
855 1 148 ASN HB2 1 151 LEU H 4.500 . 4.500 3.876 3.385 4.148 . 0 0 "[ . 1 . 2 ]" 1
856 1 148 ASN HB3 1 151 LEU H 3.500 . 3.500 2.181 1.978 2.483 . 0 0 "[ . 1 . 2 ]" 1
857 1 25 ASP HA 1 28 HIS HB2 4.000 . 4.000 3.175 3.072 3.338 . 0 0 "[ . 1 . 2 ]" 1
858 1 26 ASP HA 1 29 TYR HB3 4.000 . 4.000 2.780 2.540 2.958 . 0 0 "[ . 1 . 2 ]" 1
859 1 26 ASP HA 1 29 TYR HB2 3.500 . 3.500 2.959 2.869 3.067 . 0 0 "[ . 1 . 2 ]" 1
860 1 27 LEU HA 1 30 PHE HB3 3.500 . 3.500 2.777 2.539 3.031 . 0 0 "[ . 1 . 2 ]" 1
861 1 27 LEU HA 1 30 PHE HB2 3.500 . 3.500 3.277 3.128 3.443 . 0 0 "[ . 1 . 2 ]" 1
862 1 28 HIS HA 1 31 ARG HB3 3.500 . 3.500 3.104 2.718 3.502 0.002 5 0 "[ . 1 . 2 ]" 1
863 1 28 HIS HA 1 31 ARG HB2 5.500 . 5.500 3.516 3.024 4.092 . 0 0 "[ . 1 . 2 ]" 1
864 1 29 TYR HA 1 32 ALA MB 4.500 . 4.500 2.831 2.481 3.168 . 0 0 "[ . 1 . 2 ]" 1
865 1 41 VAL HA 1 45 THR HB 4.500 . 4.500 3.934 3.557 4.485 . 0 0 "[ . 1 . 2 ]" 1
866 1 43 ARG HA 1 46 TYR HB3 3.500 . 3.500 2.756 2.349 3.163 . 0 0 "[ . 1 . 2 ]" 1
867 1 45 THR HA 1 48 SER QB 3.500 . 3.500 2.569 2.194 3.478 . 0 0 "[ . 1 . 2 ]" 1
868 1 79 VAL HA 1 82 VAL HB 3.500 . 3.500 2.950 2.754 3.297 . 0 0 "[ . 1 . 2 ]" 1
869 1 83 PHE HA 1 86 ALA MB 3.500 . 3.500 3.065 2.858 3.358 . 0 0 "[ . 1 . 2 ]" 1
870 1 100 ALA HA 1 103 PHE HB2 3.500 . 3.500 2.598 2.325 2.825 . 0 0 "[ . 1 . 2 ]" 1
871 1 3 PHE HB3 1 5 TRP HZ3 3.500 . 3.500 2.019 1.901 2.271 . 0 0 "[ . 1 . 2 ]" 1
872 1 3 PHE HB3 1 5 TRP HE3 4.500 . 4.500 2.223 2.032 2.496 . 0 0 "[ . 1 . 2 ]" 1
873 1 3 PHE HA 1 5 TRP HE3 4.500 . 4.500 3.989 3.893 4.082 . 0 0 "[ . 1 . 2 ]" 1
874 1 3 PHE HB2 1 5 TRP HZ3 3.500 . 3.500 2.161 1.978 2.307 . 0 0 "[ . 1 . 2 ]" 1
875 1 5 TRP HE1 1 7 GLN HB3 3.500 . 3.500 2.757 2.311 3.241 . 0 0 "[ . 1 . 2 ]" 1
876 1 5 TRP HE1 1 7 GLN HG2 3.500 . 3.500 2.383 1.913 3.344 . 0 0 "[ . 1 . 2 ]" 1
877 1 5 TRP HD1 1 7 GLN H 5.500 . 5.500 4.126 3.308 4.527 . 0 0 "[ . 1 . 2 ]" 1
878 1 5 TRP HD1 1 7 GLN HB3 3.500 . 3.500 2.554 2.200 2.771 . 0 0 "[ . 1 . 2 ]" 1
879 1 5 TRP HE1 1 7 GLN HA 5.500 . 5.500 5.070 4.692 5.465 . 0 0 "[ . 1 . 2 ]" 1
880 1 5 TRP HE1 1 7 GLN H 5.000 . 5.000 4.549 3.740 5.008 0.008 23 0 "[ . 1 . 2 ]" 1
881 1 5 TRP HE1 1 7 GLN HG3 4.500 . 4.500 3.964 3.366 4.503 0.003 21 0 "[ . 1 . 2 ]" 1
882 1 7 GLN QE 1 11 GLY H 4.500 . 4.500 3.860 3.268 4.503 0.003 7 0 "[ . 1 . 2 ]" 1
883 1 7 GLN QE 1 11 GLY QA 4.500 . 4.500 2.303 2.026 2.992 . 0 0 "[ . 1 . 2 ]" 1
884 1 8 ASP H 1 11 GLY QA 5.500 . 5.500 3.497 3.353 3.643 . 0 0 "[ . 1 . 2 ]" 1
885 1 9 ARG HD2 1 11 GLY H 5.500 . 5.500 4.859 4.433 5.517 0.017 5 0 "[ . 1 . 2 ]" 1
886 1 12 LEU MD2 1 14 GLY H 5.500 . 5.500 4.053 2.748 4.733 . 0 0 "[ . 1 . 2 ]" 1
887 1 12 LEU HG 1 14 GLY H 3.500 . 3.500 2.960 2.008 3.533 0.033 3 0 "[ . 1 . 2 ]" 1
888 1 12 LEU MD1 1 14 GLY H 3.500 . 3.500 3.434 3.200 3.515 0.015 19 0 "[ . 1 . 2 ]" 1
889 1 15 LYS HB3 1 18 HIS HE1 5.500 . 5.500 3.927 3.159 4.371 . 0 0 "[ . 1 . 2 ]" 1
890 1 15 LYS HB2 1 18 HIS HE1 6.000 . 6.000 5.618 4.780 6.005 0.005 3 0 "[ . 1 . 2 ]" 1
891 1 15 LYS QG 1 18 HIS HE1 5.500 . 5.500 5.132 4.195 5.502 0.002 24 0 "[ . 1 . 2 ]" 1
892 1 15 LYS QD 1 18 HIS HE1 4.500 . 4.500 3.545 2.081 4.412 . 0 0 "[ . 1 . 2 ]" 1
893 1 16 ASP HB3 1 18 HIS HD2 4.500 . 4.500 3.566 2.746 4.503 0.003 10 0 "[ . 1 . 2 ]" 1
894 1 16 ASP HB2 1 18 HIS HD2 4.500 . 4.500 4.107 3.547 4.502 0.002 4 0 "[ . 1 . 2 ]" 1
895 1 16 ASP HB2 1 18 HIS HE1 5.500 . 5.500 3.803 2.985 4.796 . 0 0 "[ . 1 . 2 ]" 1
896 1 19 LEU MD2 1 21 TRP HD1 5.500 . 5.500 4.579 3.808 4.965 . 0 0 "[ . 1 . 2 ]" 1
897 1 19 LEU MD2 1 21 TRP H 5.500 . 5.500 3.497 3.063 3.865 . 0 0 "[ . 1 . 2 ]" 1
898 1 19 LEU HB3 1 21 TRP HD1 5.500 . 5.500 4.449 4.226 4.672 . 0 0 "[ . 1 . 2 ]" 1
899 1 19 LEU HB3 1 21 TRP HE1 4.500 . 4.500 4.223 3.896 4.478 . 0 0 "[ . 1 . 2 ]" 1
900 1 19 LEU MD1 1 21 TRP H 5.500 . 5.500 4.584 4.290 4.781 . 0 0 "[ . 1 . 2 ]" 1
901 1 19 LEU HB3 1 21 TRP HE3 5.500 . 5.500 5.258 4.836 5.505 0.005 6 0 "[ . 1 . 2 ]" 1
902 1 19 LEU MD1 1 21 TRP HE1 3.500 . 3.500 3.271 2.775 3.508 0.008 24 0 "[ . 1 . 2 ]" 1
903 1 19 LEU MD2 1 21 TRP HE1 3.500 . 3.500 3.202 2.501 3.504 0.004 13 0 "[ . 1 . 2 ]" 1
904 1 21 TRP HD1 1 23 LEU H 4.500 . 4.500 2.609 2.229 2.887 . 0 0 "[ . 1 . 2 ]" 1
905 1 21 TRP HD1 1 23 LEU HA 4.500 . 4.500 4.267 3.984 4.426 . 0 0 "[ . 1 . 2 ]" 1
906 1 21 TRP HD1 1 23 LEU MD2 4.500 . 4.500 3.914 3.546 4.506 0.006 21 0 "[ . 1 . 2 ]" 1
907 1 21 TRP HE1 1 23 LEU HB3 4.500 . 4.500 3.426 3.108 3.752 . 0 0 "[ . 1 . 2 ]" 1
908 1 21 TRP HD1 1 23 LEU MD1 4.500 . 4.500 4.309 3.457 4.517 0.017 11 0 "[ . 1 . 2 ]" 1
909 1 21 TRP HD1 1 23 LEU HB3 3.500 . 3.500 2.893 2.471 3.508 0.008 2 0 "[ . 1 . 2 ]" 1
910 1 21 TRP HE1 1 23 LEU MD2 4.500 . 4.500 3.887 3.361 4.266 . 0 0 "[ . 1 . 2 ]" 1
911 1 21 TRP HD1 1 23 LEU HB2 3.500 . 3.500 2.498 1.826 2.853 . 0 0 "[ . 1 . 2 ]" 1
912 1 22 HIS HD2 1 24 PRO HD3 5.500 . 5.500 3.854 2.386 5.500 0.000 21 0 "[ . 1 . 2 ]" 1
913 1 23 LEU MD1 1 25 ASP H 4.500 . 4.500 3.152 2.670 3.738 . 0 0 "[ . 1 . 2 ]" 1
914 1 23 LEU HG 1 25 ASP H 4.500 . 4.500 2.622 2.373 2.966 . 0 0 "[ . 1 . 2 ]" 1
915 1 23 LEU MD2 1 26 ASP HA 4.500 . 4.500 3.362 3.095 3.681 . 0 0 "[ . 1 . 2 ]" 1
916 1 23 LEU MD1 1 26 ASP H 4.500 . 4.500 3.723 3.454 4.113 . 0 0 "[ . 1 . 2 ]" 1
917 1 23 LEU MD2 1 26 ASP H 3.500 . 3.500 2.871 2.615 3.419 . 0 0 "[ . 1 . 2 ]" 1
918 1 23 LEU HG 1 26 ASP H 2.500 . 2.500 2.028 1.820 2.436 . 0 0 "[ . 1 . 2 ]" 1
919 1 23 LEU MD2 1 26 ASP HB3 3.500 . 3.500 2.762 2.465 3.057 . 0 0 "[ . 1 . 2 ]" 1
920 1 23 LEU MD2 1 26 ASP HB2 3.500 . 3.500 1.833 1.659 1.926 . 0 0 "[ . 1 . 2 ]" 1
921 1 24 PRO QD 1 27 LEU H 5.500 . 5.500 5.279 5.197 5.362 . 0 0 "[ . 1 . 2 ]" 1
922 1 25 ASP HA 1 28 HIS HD2 3.500 . 3.500 2.337 2.092 2.724 . 0 0 "[ . 1 . 2 ]" 1
923 1 25 ASP QB 1 28 HIS HD2 5.000 . 5.000 4.405 4.172 4.719 . 0 0 "[ . 1 . 2 ]" 1
924 1 26 ASP HA 1 29 TYR QD 5.500 . 5.500 4.383 4.156 4.577 . 0 0 "[ . 1 . 2 ]" 1
925 1 27 LEU MD2 1 30 PHE H 5.500 . 5.500 4.982 4.827 5.198 . 0 0 "[ . 1 . 2 ]" 1
926 1 27 LEU HA 1 30 PHE QD 5.500 . 5.500 4.159 3.880 4.578 . 0 0 "[ . 1 . 2 ]" 1
927 1 29 TYR HE1 1 33 GLN HG3 4.500 . 4.500 4.157 3.719 4.381 . 0 0 "[ . 1 . 2 ]" 1
928 1 30 PHE QE 1 34 THR MG 3.500 . 3.500 2.991 2.502 3.332 . 0 0 "[ . 1 . 2 ]" 1
929 1 30 PHE HA 1 34 THR MG 4.500 . 4.500 3.862 3.464 4.105 . 0 0 "[ . 1 . 2 ]" 1
930 1 30 PHE HD1 1 34 THR MG 4.500 . 4.500 3.541 2.911 4.086 . 0 0 "[ . 1 . 2 ]" 1
931 1 30 PHE HZ 1 34 THR MG 4.500 . 4.500 3.632 3.462 3.864 . 0 0 "[ . 1 . 2 ]" 1
932 1 30 PHE QE 1 34 THR HB 5.500 . 5.500 5.149 4.739 5.403 . 0 0 "[ . 1 . 2 ]" 1
933 1 31 ARG H 1 34 THR HG1 5.500 . 5.500 4.500 4.297 4.748 . 0 0 "[ . 1 . 2 ]" 1
934 1 34 THR HA 1 37 LYS HB2 3.500 . 3.500 2.477 2.220 2.886 . 0 0 "[ . 1 . 2 ]" 1
935 1 35 VAL QG 1 37 LYS H 5.000 . 5.000 4.216 4.122 4.299 . 0 0 "[ . 1 . 2 ]" 1
936 1 42 GLY H 1 45 THR HG1 5.500 . 5.500 4.594 3.891 5.115 . 0 0 "[ . 1 . 2 ]" 1
937 1 43 ARG QD 1 47 GLU H 5.500 . 5.500 4.488 4.095 4.884 . 0 0 "[ . 1 . 2 ]" 1
938 1 45 THR MG 1 48 SER H 5.500 . 5.500 4.153 4.046 4.234 . 0 0 "[ . 1 . 2 ]" 1
939 1 45 THR MG 1 49 PHE QE 4.500 . 4.500 2.255 1.837 2.849 . 0 0 "[ . 1 . 2 ]" 1
940 1 49 PHE H 1 52 ARG QD 5.500 . 5.500 3.908 3.220 5.509 0.009 7 0 "[ . 1 . 2 ]" 1
941 1 49 PHE QE 1 52 ARG QG 6.000 . 6.000 5.052 4.421 6.017 0.017 22 0 "[ . 1 . 2 ]" 1
942 1 49 PHE QB 1 52 ARG HE 5.500 . 5.500 3.575 2.797 4.038 . 0 0 "[ . 1 . 2 ]" 1
943 1 49 PHE QB 1 52 ARG HG2 3.500 . 3.500 2.171 1.820 3.428 . 0 0 "[ . 1 . 2 ]" 1
944 1 49 PHE H 1 52 ARG HE 5.500 . 5.500 4.903 3.551 5.510 0.010 20 0 "[ . 1 . 2 ]" 1
945 1 51 LYS H 1 54 LEU MD2 5.000 . 5.000 4.840 4.105 5.011 0.011 16 0 "[ . 1 . 2 ]" 1
946 1 54 LEU HB3 1 57 ARG HB2 3.500 . 3.500 2.551 2.298 2.872 . 0 0 "[ . 1 . 2 ]" 1
947 1 54 LEU MD1 1 57 ARG HB2 5.500 . 5.500 3.415 3.086 4.101 . 0 0 "[ . 1 . 2 ]" 1
948 1 54 LEU MD1 1 57 ARG QD 4.500 . 4.500 3.132 2.486 3.659 . 0 0 "[ . 1 . 2 ]" 1
949 1 54 LEU HB2 1 57 ARG QG 5.500 . 5.500 3.818 3.338 4.462 . 0 0 "[ . 1 . 2 ]" 1
950 1 54 LEU HB2 1 57 ARG QD 5.500 . 5.500 2.928 2.293 3.604 . 0 0 "[ . 1 . 2 ]" 1
951 1 54 LEU HB3 1 57 ARG QG 4.500 . 4.500 3.705 3.294 4.044 . 0 0 "[ . 1 . 2 ]" 1
952 1 54 LEU HB2 1 57 ARG HB2 3.500 . 3.500 2.126 1.767 2.798 . 0 0 "[ . 1 . 2 ]" 1
953 1 57 ARG QG 1 59 ASN QD 4.500 . 4.500 3.883 3.392 4.507 0.007 19 0 "[ . 1 . 2 ]" 1
954 1 57 ARG HE 1 59 ASN QD 6.500 . 6.500 5.962 5.165 6.469 . 0 0 "[ . 1 . 2 ]" 1
955 1 57 ARG H 1 59 ASN QD 4.500 . 4.500 4.148 3.638 4.508 0.008 18 0 "[ . 1 . 2 ]" 1
956 1 58 THR MG 1 60 VAL H 5.500 . 5.500 4.844 4.555 5.177 . 0 0 "[ . 1 . 2 ]" 1
957 1 59 ASN HB2 1 61 VAL MG2 5.500 . 5.500 4.439 4.079 4.919 . 0 0 "[ . 1 . 2 ]" 1
958 1 59 ASN HB3 1 61 VAL MG2 5.500 . 5.500 4.232 3.819 4.737 . 0 0 "[ . 1 . 2 ]" 1
959 1 61 VAL MG1 1 63 THR HB 4.500 . 4.500 3.230 2.982 3.575 . 0 0 "[ . 1 . 2 ]" 1
960 1 61 VAL MG1 1 63 THR H 5.500 . 5.500 4.339 4.147 4.590 . 0 0 "[ . 1 . 2 ]" 1
961 1 63 THR MG 1 65 GLN H 3.500 . 3.500 2.474 2.020 2.989 . 0 0 "[ . 1 . 2 ]" 1
962 1 63 THR HG1 1 65 GLN H 4.500 . 4.500 2.820 2.130 3.288 . 0 0 "[ . 1 . 2 ]" 1
963 1 63 THR HG1 1 65 GLN QB 4.500 . 4.500 3.484 3.127 3.791 . 0 0 "[ . 1 . 2 ]" 1
964 1 63 THR HG1 1 65 GLN QG 4.500 . 4.500 4.275 3.340 4.505 0.005 10 0 "[ . 1 . 2 ]" 1
965 1 65 GLN QG 1 67 ASP H 4.500 . 4.500 4.209 3.992 4.364 . 0 0 "[ . 1 . 2 ]" 1
966 1 65 GLN QG 1 68 TYR QD 4.500 . 4.500 3.810 3.061 4.483 . 0 0 "[ . 1 . 2 ]" 1
967 1 65 GLN QG 1 68 TYR HB3 6.500 . 6.500 6.329 5.892 6.507 0.007 1 0 "[ . 1 . 2 ]" 1
968 1 65 GLN QG 1 68 TYR HB2 5.500 . 5.500 4.795 4.367 4.977 . 0 0 "[ . 1 . 2 ]" 1
969 1 65 GLN QE 1 68 TYR QD 4.500 . 4.500 3.404 2.807 4.508 0.008 11 0 "[ . 1 . 2 ]" 1
970 1 65 GLN QB 1 68 TYR QD 5.500 . 5.500 2.820 2.420 3.266 . 0 0 "[ . 1 . 2 ]" 1
971 1 65 GLN QG 1 68 TYR H 5.500 . 5.500 5.107 4.863 5.364 . 0 0 "[ . 1 . 2 ]" 1
972 1 65 GLN QE 1 68 TYR QE 5.500 . 5.500 3.861 2.917 5.206 . 0 0 "[ . 1 . 2 ]" 1
973 1 67 ASP HA 1 69 GLN QE 4.500 . 4.500 3.899 2.944 4.502 0.002 12 0 "[ . 1 . 2 ]" 1
974 1 68 TYR QD 1 70 ALA HA 5.500 . 5.500 4.788 4.513 5.018 . 0 0 "[ . 1 . 2 ]" 1
975 1 68 TYR QE 1 70 ALA MB 2.500 . 2.500 2.305 1.961 2.507 0.007 13 0 "[ . 1 . 2 ]" 1
976 1 68 TYR QD 1 70 ALA MB 3.500 . 3.500 2.402 2.191 2.649 . 0 0 "[ . 1 . 2 ]" 1
977 1 68 TYR QE 1 70 ALA HA 5.500 . 5.500 4.514 4.141 4.890 . 0 0 "[ . 1 . 2 ]" 1
978 1 69 GLN HB3 1 71 GLN HG3 5.500 . 5.500 4.500 3.847 5.316 . 0 0 "[ . 1 . 2 ]" 1
979 1 73 ALA H 1 75 VAL MG2 5.500 . 5.500 4.402 4.154 4.911 . 0 0 "[ . 1 . 2 ]" 1
980 1 76 VAL MG2 1 78 ASP H 3.500 . 3.500 3.151 2.849 3.318 . 0 0 "[ . 1 . 2 ]" 1
981 1 76 VAL MG1 1 78 ASP H 4.500 . 4.500 4.367 4.267 4.471 . 0 0 "[ . 1 . 2 ]" 1
982 1 78 ASP H 1 82 VAL MG2 4.500 . 4.500 3.519 3.397 3.677 . 0 0 "[ . 1 . 2 ]" 1
983 1 79 VAL MG1 1 82 VAL H 4.500 . 4.500 4.414 4.321 4.509 0.009 5 0 "[ . 1 . 2 ]" 1
984 1 79 VAL HA 1 82 VAL MG2 3.500 . 3.500 2.195 1.951 2.481 . 0 0 "[ . 1 . 2 ]" 1
985 1 79 VAL MG1 1 82 VAL HB 3.500 . 3.500 3.208 3.021 3.466 . 0 0 "[ . 1 . 2 ]" 1
986 1 79 VAL MG2 1 83 PHE QD 5.500 . 5.500 4.755 4.495 5.139 . 0 0 "[ . 1 . 2 ]" 1
987 1 79 VAL MG1 1 83 PHE H 5.500 . 5.500 3.640 3.329 3.979 . 0 0 "[ . 1 . 2 ]" 1
988 1 79 VAL MG1 1 83 PHE QD 3.500 . 3.500 2.137 1.904 2.740 . 0 0 "[ . 1 . 2 ]" 1
989 1 79 VAL HB 1 83 PHE QD 4.500 . 4.500 4.157 3.888 4.526 0.026 22 0 "[ . 1 . 2 ]" 1
990 1 79 VAL MG1 1 83 PHE QE 4.500 . 4.500 1.850 1.615 1.970 . 0 0 "[ . 1 . 2 ]" 1
991 1 80 ALA MB 1 83 PHE QD 4.500 . 4.500 4.262 3.763 4.476 . 0 0 "[ . 1 . 2 ]" 1
992 1 80 ALA HA 1 83 PHE QD 3.500 . 3.500 2.712 2.085 3.004 . 0 0 "[ . 1 . 2 ]" 1
993 1 82 VAL MG1 1 85 TYR H 5.500 . 5.500 4.599 4.083 4.957 . 0 0 "[ . 1 . 2 ]" 1
994 1 82 VAL MG2 1 85 TYR H 6.500 . 6.500 5.411 5.141 5.602 . 0 0 "[ . 1 . 2 ]" 1
995 1 82 VAL MG1 1 86 ALA H 4.500 . 4.500 4.115 3.792 4.316 . 0 0 "[ . 1 . 2 ]" 1
996 1 82 VAL MG2 1 86 ALA H 6.500 . 6.500 6.099 5.927 6.202 . 0 0 "[ . 1 . 2 ]" 1
997 1 83 PHE QD 1 86 ALA MB 4.500 . 4.500 3.755 3.501 4.052 . 0 0 "[ . 1 . 2 ]" 1
998 1 84 ALA MB 1 88 GLN QE 4.500 . 4.500 2.563 1.923 3.243 . 0 0 "[ . 1 . 2 ]" 1
999 1 85 TYR HA 1 88 GLN QE 4.500 . 4.500 3.798 2.086 4.432 . 0 0 "[ . 1 . 2 ]" 1
1000 1 85 TYR QD 1 89 HIS HB2 4.500 . 4.500 4.004 3.642 4.509 0.009 13 0 "[ . 1 . 2 ]" 1
1001 1 85 TYR HA 1 89 HIS HD2 4.500 . 4.500 3.705 3.067 4.135 . 0 0 "[ . 1 . 2 ]" 1
1002 1 86 ALA HA 1 89 HIS HD2 5.500 . 5.500 5.057 4.472 5.505 0.005 3 0 "[ . 1 . 2 ]" 1
1003 1 87 LYS QB 1 89 HIS H 5.500 . 5.500 4.820 4.598 5.033 . 0 0 "[ . 1 . 2 ]" 1
1004 1 94 LEU HG 1 96 ILE MD 3.500 . 3.500 3.232 2.814 3.496 . 0 0 "[ . 1 . 2 ]" 1
1005 1 94 LEU QD 1 96 ILE MD 3.500 . 3.500 2.595 1.917 3.020 . 0 0 "[ . 1 . 2 ]" 1
1006 1 96 ILE MG 1 98 GLY H 3.500 . 3.500 1.911 1.794 2.168 . 0 0 "[ . 1 . 2 ]" 1
1007 1 98 GLY QA 1 101 GLN H 5.500 . 5.500 4.882 4.733 5.007 . 0 0 "[ . 1 . 2 ]" 1
1008 1 98 GLY QA 1 102 ILE H 5.500 . 5.500 3.484 3.421 3.699 . 0 0 "[ . 1 . 2 ]" 1
1009 1 99 GLY QA 1 101 GLN H 5.500 . 5.500 3.593 3.422 3.737 . 0 0 "[ . 1 . 2 ]" 1
1010 1 99 GLY H 1 102 ILE QG 4.500 . 4.500 2.784 2.608 2.923 . 0 0 "[ . 1 . 2 ]" 1
1011 1 99 GLY QA 1 103 PHE QE 4.000 . 4.000 3.415 3.080 3.671 . 0 0 "[ . 1 . 2 ]" 1
1012 1 100 ALA HA 1 103 PHE QE 4.500 . 4.500 3.952 3.742 4.175 . 0 0 "[ . 1 . 2 ]" 1
1013 1 100 ALA HA 1 103 PHE HD2 4.500 . 4.500 2.034 1.922 2.215 . 0 0 "[ . 1 . 2 ]" 1
1014 1 102 ILE MG 1 104 THR H 5.500 . 5.500 4.869 4.760 4.985 . 0 0 "[ . 1 . 2 ]" 1
1015 1 102 ILE MD 1 105 ALA H 5.500 . 5.500 4.788 4.607 4.899 . 0 0 "[ . 1 . 2 ]" 1
1016 1 102 ILE MG 1 105 ALA H 5.500 . 5.500 4.758 4.571 4.898 . 0 0 "[ . 1 . 2 ]" 1
1017 1 102 ILE MG 1 106 PHE H 5.500 . 5.500 4.112 3.871 4.311 . 0 0 "[ . 1 . 2 ]" 1
1018 1 102 ILE MD 1 105 ALA MB 5.500 . 5.500 3.696 3.495 3.872 . 0 0 "[ . 1 . 2 ]" 1
1019 1 102 ILE MD 1 106 PHE QE 4.500 . 4.500 3.115 2.885 3.721 . 0 0 "[ . 1 . 2 ]" 1
1020 1 102 ILE MG 1 106 PHE QD 3.500 . 3.500 2.318 2.050 2.723 . 0 0 "[ . 1 . 2 ]" 1
1021 1 102 ILE HA 1 106 PHE QD 4.500 . 4.500 3.092 2.861 3.316 . 0 0 "[ . 1 . 2 ]" 1
1022 1 102 ILE MD 1 106 PHE QD 5.500 . 5.500 3.829 3.504 4.207 . 0 0 "[ . 1 . 2 ]" 1
1023 1 103 PHE HA 1 106 PHE QD 4.500 . 4.500 4.264 4.135 4.406 . 0 0 "[ . 1 . 2 ]" 1
1024 1 106 PHE QD 1 109 ASP HB3 5.500 . 5.500 4.327 3.464 5.008 . 0 0 "[ . 1 . 2 ]" 1
1025 1 106 PHE QD 1 109 ASP HB2 4.500 . 4.500 3.993 3.577 4.500 0.000 16 0 "[ . 1 . 2 ]" 1
1026 1 108 ASP H 1 110 VAL MG2 5.500 . 5.500 4.094 3.956 4.219 . 0 0 "[ . 1 . 2 ]" 1
1027 1 110 VAL MG1 1 112 THR HA 4.500 . 4.500 4.025 3.882 4.176 . 0 0 "[ . 1 . 2 ]" 1
1028 1 110 VAL MG1 1 112 THR H 3.000 . 3.000 2.615 2.344 2.965 . 0 0 "[ . 1 . 2 ]" 1
1029 1 113 LEU MD1 1 115 VAL MG1 5.500 . 5.500 5.026 4.564 5.308 . 0 0 "[ . 1 . 2 ]" 1
1030 1 115 VAL MG1 1 117 ARG HE 4.500 . 4.500 3.931 3.348 4.504 0.004 20 0 "[ . 1 . 2 ]" 1
1031 1 115 VAL MG2 1 117 ARG H 5.500 . 5.500 3.999 3.578 4.284 . 0 0 "[ . 1 . 2 ]" 1
1032 1 115 VAL MG2 1 117 ARG QB 5.500 . 5.500 4.376 4.060 4.695 . 0 0 "[ . 1 . 2 ]" 1
1033 1 116 THR MG 1 118 LEU MD1 3.500 . 3.500 2.849 2.474 3.351 . 0 0 "[ . 1 . 2 ]" 1
1034 1 116 THR HB 1 118 LEU MD1 4.500 . 4.500 2.948 2.758 3.207 . 0 0 "[ . 1 . 2 ]" 1
1035 1 116 THR MG 1 118 LEU H 5.500 . 5.500 4.559 4.263 4.862 . 0 0 "[ . 1 . 2 ]" 1
1036 1 118 LEU MD2 1 120 GLY H 4.500 . 4.500 4.086 3.807 4.273 . 0 0 "[ . 1 . 2 ]" 1
1037 1 118 LEU MD1 1 122 PHE QE 4.500 . 4.500 4.276 3.964 4.486 . 0 0 "[ . 1 . 2 ]" 1
1038 1 118 LEU MD2 1 122 PHE QE 3.500 . 3.500 2.470 2.097 2.826 . 0 0 "[ . 1 . 2 ]" 1
1039 1 118 LEU MD2 1 122 PHE QD 5.500 . 5.500 3.874 3.482 4.203 . 0 0 "[ . 1 . 2 ]" 1
1040 1 118 LEU HB2 1 122 PHE QE 3.500 . 3.500 3.154 2.871 3.468 . 0 0 "[ . 1 . 2 ]" 1
1041 1 118 LEU MD2 1 122 PHE HZ 3.500 . 3.500 3.372 3.032 3.504 0.004 7 0 "[ . 1 . 2 ]" 1
1042 1 120 GLY H 1 122 PHE QE 4.500 . 4.500 3.621 3.434 3.787 . 0 0 "[ . 1 . 2 ]" 1
1043 1 120 GLY H 1 122 PHE QD 6.000 . 6.000 5.442 5.306 5.556 . 0 0 "[ . 1 . 2 ]" 1
1044 1 120 GLY H 1 122 PHE HZ 5.500 . 5.500 4.596 4.271 4.998 . 0 0 "[ . 1 . 2 ]" 1
1045 1 120 GLY QA 1 122 PHE QE 3.500 . 3.500 3.180 2.946 3.443 . 0 0 "[ . 1 . 2 ]" 1
1046 1 124 GLY QA 1 126 THR H 4.500 . 4.500 3.362 3.295 3.414 . 0 0 "[ . 1 . 2 ]" 1
1047 1 128 MET ME 1 131 LEU HG 4.500 . 4.500 2.931 2.555 3.492 . 0 0 "[ . 1 . 2 ]" 1
1048 1 128 MET ME 1 131 LEU MD2 4.000 . 4.000 3.201 2.769 3.691 . 0 0 "[ . 1 . 2 ]" 1
1049 1 128 MET ME 1 131 LEU MD1 3.500 . 3.500 1.899 1.773 2.194 . 0 0 "[ . 1 . 2 ]" 1
1050 1 131 LEU H 1 133 TRP HE1 3.500 . 3.500 3.291 3.046 3.500 0.000 3 0 "[ . 1 . 2 ]" 1
1051 1 131 LEU MD1 1 133 TRP HE1 4.500 . 4.500 4.116 3.811 4.448 . 0 0 "[ . 1 . 2 ]" 1
1052 1 131 LEU HB2 1 133 TRP HE1 3.500 . 3.500 2.863 2.594 3.076 . 0 0 "[ . 1 . 2 ]" 1
1053 1 131 LEU HB3 1 133 TRP HE1 4.500 . 4.500 4.037 3.746 4.289 . 0 0 "[ . 1 . 2 ]" 1
1054 1 131 LEU HG 1 133 TRP HE1 5.500 . 5.500 5.248 4.965 5.474 . 0 0 "[ . 1 . 2 ]" 1
1055 1 131 LEU MD1 1 133 TRP HD1 6.000 . 6.000 5.594 5.397 5.790 . 0 0 "[ . 1 . 2 ]" 1
1056 1 131 LEU HB3 1 133 TRP HD1 5.000 . 5.000 4.629 4.291 4.920 . 0 0 "[ . 1 . 2 ]" 1
1057 1 131 LEU HB2 1 133 TRP HD1 5.000 . 5.000 4.314 4.055 4.550 . 0 0 "[ . 1 . 2 ]" 1
1058 1 132 ASN QD 1 135 ASP H 4.500 . 4.500 2.862 1.893 4.360 . 0 0 "[ . 1 . 2 ]" 1
1059 1 132 ASN QD 1 135 ASP HB2 5.500 . 5.500 2.634 1.973 4.257 . 0 0 "[ . 1 . 2 ]" 1
1060 1 133 TRP HE3 1 136 PHE HB3 5.500 . 5.500 4.767 4.441 5.140 . 0 0 "[ . 1 . 2 ]" 1
1061 1 134 ASP H 1 136 PHE QD 5.500 . 5.500 4.840 4.621 5.137 . 0 0 "[ . 1 . 2 ]" 1
1062 1 137 THR H 1 139 VAL QG 5.500 . 5.500 4.289 4.134 4.429 . 0 0 "[ . 1 . 2 ]" 1
1063 1 138 LYS QD 1 140 SER H 3.500 . 3.500 2.992 2.574 3.494 . 0 0 "[ . 1 . 2 ]" 1
1064 1 138 LYS QE 1 140 SER H 5.500 . 5.500 4.966 4.621 5.400 . 0 0 "[ . 1 . 2 ]" 1
1065 1 138 LYS QG 1 141 SER HA 5.500 . 5.500 4.325 4.077 4.663 . 0 0 "[ . 1 . 2 ]" 1
1066 1 144 VAL QG 1 146 ASP H 5.500 . 5.500 4.524 3.481 5.061 . 0 0 "[ . 1 . 2 ]" 1
1067 1 148 ASN QD 1 150 ALA MB 4.500 . 4.500 3.516 2.296 4.502 0.002 21 0 "[ . 1 . 2 ]" 1
1068 1 148 ASN QD 1 150 ALA H 4.500 . 4.500 3.470 2.019 4.507 0.007 15 0 "[ . 1 . 2 ]" 1
1069 1 148 ASN QD 1 151 LEU MD1 4.000 . 4.000 3.106 2.072 3.845 . 0 0 "[ . 1 . 2 ]" 1
1070 1 148 ASN H 1 151 LEU MD1 4.500 . 4.500 3.524 3.227 3.786 . 0 0 "[ . 1 . 2 ]" 1
1071 1 148 ASN QD 1 151 LEU HG 4.500 . 4.500 3.115 1.961 4.447 . 0 0 "[ . 1 . 2 ]" 1
1072 1 148 ASN HA 1 151 LEU MD1 5.500 . 5.500 4.220 4.083 4.344 . 0 0 "[ . 1 . 2 ]" 1
1073 1 154 THR MG 1 156 GLU HA 4.500 . 4.500 4.350 4.161 4.504 0.004 18 0 "[ . 1 . 2 ]" 1
1074 1 154 THR MG 1 156 GLU H 5.500 . 5.500 4.647 4.448 4.819 . 0 0 "[ . 1 . 2 ]" 1
1075 1 156 GLU QB 1 158 TRP HA 6.000 . 6.000 5.573 5.514 5.654 . 0 0 "[ . 1 . 2 ]" 1
1076 1 156 GLU HB2 1 158 TRP HE1 3.500 . 3.500 2.601 1.980 3.120 . 0 0 "[ . 1 . 2 ]" 1
1077 1 156 GLU HA 1 158 TRP HE1 5.500 . 5.500 4.268 4.091 4.477 . 0 0 "[ . 1 . 2 ]" 1
1078 1 156 GLU HB2 1 158 TRP HD1 4.500 . 4.500 3.980 3.636 4.316 . 0 0 "[ . 1 . 2 ]" 1
1079 1 156 GLU HB3 1 158 TRP HD1 4.500 . 4.500 3.583 3.075 4.057 . 0 0 "[ . 1 . 2 ]" 1
1080 1 133 TRP HA 1 158 TRP HE3 5.500 . 5.500 4.269 4.114 4.447 . 0 0 "[ . 1 . 2 ]" 1
1081 1 3 PHE H 1 4 LEU H 5.500 . 5.500 4.516 4.465 4.543 . 0 0 "[ . 1 . 2 ]" 1
1082 1 4 LEU H 1 5 TRP H 5.500 . 5.500 3.813 3.646 3.960 . 0 0 "[ . 1 . 2 ]" 1
1083 1 7 GLN H 1 8 ASP H 5.500 . 5.500 4.494 4.427 4.625 . 0 0 "[ . 1 . 2 ]" 1
1084 1 10 ASP H 1 11 GLY H 5.500 . 5.500 2.547 2.501 2.592 . 0 0 "[ . 1 . 2 ]" 1
1085 1 11 GLY H 1 12 LEU H 5.500 . 5.500 2.150 2.082 2.211 . 0 0 "[ . 1 . 2 ]" 1
1086 1 13 ILE H 1 14 GLY H 4.500 . 4.500 2.206 1.719 2.558 . 0 0 "[ . 1 . 2 ]" 1
1087 1 15 LYS H 1 16 ASP H 4.500 . 4.500 4.190 3.465 4.410 . 0 0 "[ . 1 . 2 ]" 1
1088 1 16 ASP H 1 17 GLY H 5.500 . 5.500 2.979 2.579 3.163 . 0 0 "[ . 1 . 2 ]" 1
1089 1 17 GLY H 1 18 HIS H 4.500 . 4.500 3.969 3.692 4.061 . 0 0 "[ . 1 . 2 ]" 1
1090 1 25 ASP H 1 26 ASP H 5.500 . 5.500 2.625 2.519 2.706 . 0 0 "[ . 1 . 2 ]" 1
1091 1 26 ASP H 1 27 LEU H 4.500 . 4.500 2.526 2.450 2.607 . 0 0 "[ . 1 . 2 ]" 1
1092 1 27 LEU H 1 28 HIS H 3.500 . 3.500 2.840 2.753 2.968 . 0 0 "[ . 1 . 2 ]" 1
1093 1 29 TYR H 1 30 PHE H 3.500 . 3.500 2.593 2.553 2.625 . 0 0 "[ . 1 . 2 ]" 1
1094 1 30 PHE H 1 31 ARG H 4.500 . 4.500 2.695 2.670 2.715 . 0 0 "[ . 1 . 2 ]" 1
1095 1 32 ALA H 1 33 GLN H 3.500 . 3.500 2.835 2.580 2.956 . 0 0 "[ . 1 . 2 ]" 1
1096 1 33 GLN H 1 34 THR H 5.500 . 5.500 2.628 2.562 2.691 . 0 0 "[ . 1 . 2 ]" 1
1097 1 34 THR H 1 35 VAL H 3.500 . 3.500 2.613 2.535 2.710 . 0 0 "[ . 1 . 2 ]" 1
1098 1 35 VAL H 1 36 GLY H 5.500 . 5.500 4.480 4.410 4.550 . 0 0 "[ . 1 . 2 ]" 1
1099 1 36 GLY H 1 37 LYS H 3.500 . 3.500 2.571 2.488 2.656 . 0 0 "[ . 1 . 2 ]" 1
1100 1 38 ILE H 1 39 MET H 5.500 . 5.500 4.517 4.478 4.553 . 0 0 "[ . 1 . 2 ]" 1
1101 1 43 ARG H 1 44 ARG H 4.500 . 4.500 2.906 2.807 2.976 . 0 0 "[ . 1 . 2 ]" 1
1102 1 44 ARG H 1 45 THR H 3.500 . 3.500 2.527 2.394 2.608 . 0 0 "[ . 1 . 2 ]" 1
1103 1 45 THR H 1 46 TYR H 3.500 . 3.500 2.664 2.486 2.780 . 0 0 "[ . 1 . 2 ]" 1
1104 1 46 TYR H 1 47 GLU H 4.500 . 4.500 2.783 2.623 2.863 . 0 0 "[ . 1 . 2 ]" 1
1105 1 47 GLU H 1 48 SER H 3.500 . 3.500 2.497 2.387 2.606 . 0 0 "[ . 1 . 2 ]" 1
1106 1 48 SER H 1 49 PHE H 4.500 . 4.500 2.172 2.102 2.241 . 0 0 "[ . 1 . 2 ]" 1
1107 1 51 LYS H 1 52 ARG H 4.500 . 4.500 4.075 3.845 4.354 . 0 0 "[ . 1 . 2 ]" 1
1108 1 56 GLU H 1 57 ARG H 4.500 . 4.500 2.917 2.821 2.964 . 0 0 "[ . 1 . 2 ]" 1
1109 1 60 VAL H 1 61 VAL H 6.000 . 6.000 4.409 4.374 4.446 . 0 0 "[ . 1 . 2 ]" 1
1110 1 61 VAL H 1 62 LEU H 5.500 . 5.500 4.583 4.565 4.598 . 0 0 "[ . 1 . 2 ]" 1
1111 1 62 LEU H 1 63 THR H 5.500 . 5.500 4.325 4.227 4.385 . 0 0 "[ . 1 . 2 ]" 1
1112 1 63 THR H 1 64 HIS H 4.500 . 4.500 4.433 4.410 4.454 . 0 0 "[ . 1 . 2 ]" 1
1113 1 64 HIS H 1 65 GLN H 5.500 . 5.500 2.415 2.261 2.567 . 0 0 "[ . 1 . 2 ]" 1
1114 1 66 GLU H 1 67 ASP H 3.500 . 3.500 1.949 1.897 2.029 . 0 0 "[ . 1 . 2 ]" 1
1115 1 67 ASP H 1 68 TYR H 5.500 . 5.500 2.751 2.501 2.989 . 0 0 "[ . 1 . 2 ]" 1
1116 1 68 TYR H 1 69 GLN H 5.500 . 5.500 4.486 4.408 4.537 . 0 0 "[ . 1 . 2 ]" 1
1117 1 72 GLY H 1 73 ALA H 3.500 . 3.500 2.895 2.720 3.249 . 0 0 "[ . 1 . 2 ]" 1
1118 1 77 HIS H 1 78 ASP H 5.500 . 5.500 2.386 2.282 2.463 . 0 0 "[ . 1 . 2 ]" 1
1119 1 78 ASP H 1 79 VAL H 4.500 . 4.500 3.774 3.714 3.858 . 0 0 "[ . 1 . 2 ]" 1
1120 1 81 ALA H 1 82 VAL H 3.500 . 3.500 2.709 2.687 2.738 . 0 0 "[ . 1 . 2 ]" 1
1121 1 82 VAL H 1 83 PHE H 3.500 . 3.500 2.819 2.762 2.902 . 0 0 "[ . 1 . 2 ]" 1
1122 1 83 PHE H 1 84 ALA H 4.500 . 4.500 2.703 2.598 2.875 . 0 0 "[ . 1 . 2 ]" 1
1123 1 84 ALA H 1 85 TYR H 4.500 . 4.500 2.802 2.468 3.059 . 0 0 "[ . 1 . 2 ]" 1
1124 1 85 TYR H 1 86 ALA H 4.500 . 4.500 2.942 2.601 3.189 . 0 0 "[ . 1 . 2 ]" 1
1125 1 86 ALA H 1 87 LYS H 3.500 . 3.500 2.844 2.778 2.908 . 0 0 "[ . 1 . 2 ]" 1
1126 1 87 LYS H 1 88 GLN H 3.500 . 3.500 2.610 2.589 2.633 . 0 0 "[ . 1 . 2 ]" 1
1127 1 88 GLN H 1 89 HIS H 5.500 . 5.500 2.445 2.389 2.513 . 0 0 "[ . 1 . 2 ]" 1
1128 1 91 ASP H 1 92 GLN H 3.500 . 3.500 1.942 1.800 2.698 . 0 0 "[ . 1 . 2 ]" 1
1129 1 92 GLN H 1 93 GLU H 5.500 . 5.500 3.874 3.751 3.999 . 0 0 "[ . 1 . 2 ]" 1
1130 1 94 LEU H 1 95 VAL H 5.000 . 5.000 4.359 4.330 4.389 . 0 0 "[ . 1 . 2 ]" 1
1131 1 97 ALA H 1 98 GLY H 4.500 . 4.500 1.868 1.797 2.598 . 0 0 "[ . 1 . 2 ]" 1
1132 1 99 GLY H 1 100 ALA H 4.500 . 4.500 4.178 4.133 4.245 . 0 0 "[ . 1 . 2 ]" 1
1133 1 100 ALA H 1 101 GLN H 3.500 . 3.500 2.708 2.614 2.802 . 0 0 "[ . 1 . 2 ]" 1
1134 1 101 GLN H 1 102 ILE H 4.500 . 4.500 2.849 2.811 2.876 . 0 0 "[ . 1 . 2 ]" 1
1135 1 102 ILE H 1 103 PHE H 5.500 . 5.500 2.563 2.521 2.592 . 0 0 "[ . 1 . 2 ]" 1
1136 1 103 PHE H 1 104 THR H 3.500 . 3.500 2.487 2.466 2.505 . 0 0 "[ . 1 . 2 ]" 1
1137 1 104 THR H 1 105 ALA H 5.500 . 5.500 2.610 2.523 2.637 . 0 0 "[ . 1 . 2 ]" 1
1138 1 105 ALA H 1 106 PHE H 3.500 . 3.500 2.702 2.641 2.748 . 0 0 "[ . 1 . 2 ]" 1
1139 1 107 LYS H 1 108 ASP H 3.500 . 3.500 2.890 2.819 3.033 . 0 0 "[ . 1 . 2 ]" 1
1140 1 108 ASP H 1 109 ASP H 4.500 . 4.500 2.668 2.619 2.719 . 0 0 "[ . 1 . 2 ]" 1
1141 1 109 ASP H 1 110 VAL H 4.500 . 4.500 3.953 3.814 4.030 . 0 0 "[ . 1 . 2 ]" 1
1142 1 110 VAL H 1 111 ASP H 5.500 . 5.500 4.484 4.316 4.550 . 0 0 "[ . 1 . 2 ]" 1
1143 1 111 ASP H 1 112 THR H 5.500 . 5.500 1.881 1.791 2.038 . 0 0 "[ . 1 . 2 ]" 1
1144 1 112 THR H 1 113 LEU H 5.500 . 5.500 4.272 4.169 4.418 . 0 0 "[ . 1 . 2 ]" 1
1145 1 114 LEU H 1 115 VAL H 6.000 . 6.000 3.962 3.819 4.123 . 0 0 "[ . 1 . 2 ]" 1
1146 1 115 VAL H 1 116 THR H 5.500 . 5.500 4.512 4.461 4.550 . 0 0 "[ . 1 . 2 ]" 1
1147 1 119 ALA H 1 120 GLY H 3.500 . 3.500 2.397 2.363 2.430 . 0 0 "[ . 1 . 2 ]" 1
1148 1 120 GLY H 1 121 SER H 5.500 . 5.500 4.640 4.602 4.656 . 0 0 "[ . 1 . 2 ]" 1
1149 1 121 SER H 1 122 PHE H 5.500 . 5.500 4.238 4.194 4.267 . 0 0 "[ . 1 . 2 ]" 1
1150 1 122 PHE H 1 123 GLU H 5.500 . 5.500 4.551 4.540 4.568 . 0 0 "[ . 1 . 2 ]" 1
1151 1 123 GLU H 1 124 GLY H 5.500 . 5.500 4.543 4.510 4.567 . 0 0 "[ . 1 . 2 ]" 1
1152 1 125 ASP H 1 126 THR H 5.500 . 5.500 1.675 1.627 1.778 . 0 0 "[ . 1 . 2 ]" 1
1153 1 132 ASN H 1 133 TRP H 5.500 . 5.500 3.677 3.639 3.712 . 0 0 "[ . 1 . 2 ]" 1
1154 1 133 TRP H 1 134 ASP H 5.500 . 5.500 2.805 2.782 2.837 . 0 0 "[ . 1 . 2 ]" 1
1155 1 134 ASP H 1 135 ASP H 3.500 . 3.500 2.652 2.623 2.677 . 0 0 "[ . 1 . 2 ]" 1
1156 1 135 ASP H 1 136 PHE H 3.000 . 3.000 2.348 2.284 2.442 . 0 0 "[ . 1 . 2 ]" 1
1157 1 137 THR H 1 138 LYS H 5.500 . 5.500 4.326 4.290 4.353 . 0 0 "[ . 1 . 2 ]" 1
1158 1 138 LYS H 1 139 VAL H 5.500 . 5.500 4.510 4.480 4.547 . 0 0 "[ . 1 . 2 ]" 1
1159 1 139 VAL H 1 140 SER H 3.500 . 3.500 2.222 2.164 2.280 . 0 0 "[ . 1 . 2 ]" 1
1160 1 140 SER H 1 141 SER H 5.500 . 5.500 4.333 4.313 4.352 . 0 0 "[ . 1 . 2 ]" 1
1161 1 141 SER H 1 142 ARG H 5.500 . 5.500 4.270 4.246 4.294 . 0 0 "[ . 1 . 2 ]" 1
1162 1 142 ARG H 1 143 THR H 5.000 . 5.000 4.345 4.316 4.370 . 0 0 "[ . 1 . 2 ]" 1
1163 1 147 THR H 1 148 ASN H 3.500 . 3.500 2.685 2.621 2.772 . 0 0 "[ . 1 . 2 ]" 1
1164 1 150 ALA H 1 151 LEU H 3.500 . 3.500 2.523 2.473 2.554 . 0 0 "[ . 1 . 2 ]" 1
1165 1 154 THR H 1 155 TYR H 6.000 . 6.000 4.465 4.452 4.476 . 0 0 "[ . 1 . 2 ]" 1
1166 1 156 GLU H 1 157 VAL H 6.000 . 6.000 4.382 4.355 4.551 . 0 0 "[ . 1 . 2 ]" 1
1167 1 157 VAL H 1 158 TRP H 5.500 . 5.500 4.391 4.106 4.439 . 0 0 "[ . 1 . 2 ]" 1
1168 1 161 LYS H 1 162 ALA H 5.500 . 5.500 4.625 4.528 4.667 . 0 0 "[ . 1 . 2 ]" 1
1169 1 1 THR HA 1 2 ALA H 2.500 . 2.500 2.209 2.167 2.288 . 0 0 "[ . 1 . 2 ]" 1
1170 1 2 ALA HA 1 3 PHE H 2.500 . 2.500 2.328 2.289 2.381 . 0 0 "[ . 1 . 2 ]" 1
1171 1 3 PHE HA 1 4 LEU H 3.000 . 3.000 2.260 2.228 2.278 . 0 0 "[ . 1 . 2 ]" 1
1172 1 4 LEU HA 1 5 TRP H 2.500 . 2.500 2.303 2.229 2.361 . 0 0 "[ . 1 . 2 ]" 1
1173 1 5 TRP HA 1 6 ALA H 3.500 . 3.500 2.402 2.229 2.600 . 0 0 "[ . 1 . 2 ]" 1
1174 1 6 ALA HA 1 7 GLN H 2.500 . 2.500 2.228 2.192 2.316 . 0 0 "[ . 1 . 2 ]" 1
1175 1 7 GLN HA 1 8 ASP H 3.500 . 3.500 2.356 2.315 2.404 . 0 0 "[ . 1 . 2 ]" 1
1176 1 8 ASP HA 1 9 ARG H 3.500 . 3.500 2.758 2.699 2.821 . 0 0 "[ . 1 . 2 ]" 1
1177 1 10 ASP H 1 11 GLY QA 5.500 . 5.500 4.506 4.480 4.546 . 0 0 "[ . 1 . 2 ]" 1
1178 1 11 GLY QA 1 12 LEU H 4.500 . 4.500 2.753 2.727 2.792 . 0 0 "[ . 1 . 2 ]" 1
1179 1 12 LEU HA 1 13 ILE H 2.500 . 2.500 2.436 2.327 2.503 0.003 9 0 "[ . 1 . 2 ]" 1
1180 1 14 GLY QA 1 15 LYS H 2.500 . 2.500 2.197 2.146 2.247 . 0 0 "[ . 1 . 2 ]" 1
1181 1 18 HIS HA 1 19 LEU H 4.000 . 4.000 2.462 2.175 2.810 . 0 0 "[ . 1 . 2 ]" 1
1182 1 16 ASP HA 1 17 GLY H 3.500 . 3.500 2.787 2.661 3.023 . 0 0 "[ . 1 . 2 ]" 1
1183 1 17 GLY QA 1 18 HIS H 3.500 . 3.500 2.358 2.267 2.495 . 0 0 "[ . 1 . 2 ]" 1
1184 1 20 PRO HA 1 21 TRP H 4.000 . 4.000 3.549 3.527 3.570 . 0 0 "[ . 1 . 2 ]" 1
1185 1 22 HIS HA 1 23 LEU H 3.500 . 3.500 2.269 2.248 2.301 . 0 0 "[ . 1 . 2 ]" 1
1186 1 26 ASP HA 1 27 LEU H 5.500 . 5.500 3.576 3.553 3.590 . 0 0 "[ . 1 . 2 ]" 1
1187 1 27 LEU HA 1 28 HIS H 4.500 . 4.500 3.570 3.548 3.587 . 0 0 "[ . 1 . 2 ]" 1
1188 1 28 HIS HA 1 29 TYR H 4.500 . 4.500 3.543 3.532 3.559 . 0 0 "[ . 1 . 2 ]" 1
1189 1 32 ALA HA 1 33 GLN H 4.500 . 4.500 3.558 3.543 3.574 . 0 0 "[ . 1 . 2 ]" 1
1190 1 33 GLN HA 1 34 THR H 4.000 . 4.000 3.446 3.418 3.466 . 0 0 "[ . 1 . 2 ]" 1
1191 1 34 THR HA 1 35 VAL H 4.000 . 4.000 2.987 2.954 3.018 . 0 0 "[ . 1 . 2 ]" 1
1192 1 35 VAL HA 1 36 GLY H 2.500 . 2.500 2.187 2.169 2.210 . 0 0 "[ . 1 . 2 ]" 1
1193 1 36 GLY QA 1 37 LYS H 3.500 . 3.500 2.935 2.928 2.949 . 0 0 "[ . 1 . 2 ]" 1
1194 1 37 LYS HA 1 38 ILE H 3.500 . 3.500 2.447 2.370 2.506 . 0 0 "[ . 1 . 2 ]" 1
1195 1 39 MET HA 1 40 VAL H 2.500 . 2.500 2.217 2.197 2.244 . 0 0 "[ . 1 . 2 ]" 1
1196 1 40 VAL HA 1 41 VAL H 2.500 . 2.500 2.167 2.140 2.194 . 0 0 "[ . 1 . 2 ]" 1
1197 1 41 VAL HA 1 42 GLY H 3.000 . 3.000 2.295 2.193 2.662 . 0 0 "[ . 1 . 2 ]" 1
1198 1 42 GLY QA 1 43 ARG H 2.500 . 2.500 2.219 2.184 2.250 . 0 0 "[ . 1 . 2 ]" 1
1199 1 44 ARG HA 1 45 THR H 4.500 . 4.500 3.574 3.553 3.586 . 0 0 "[ . 1 . 2 ]" 1
1200 1 45 THR HA 1 46 TYR H 4.500 . 4.500 3.581 3.535 3.605 . 0 0 "[ . 1 . 2 ]" 1
1201 1 47 GLU HA 1 48 SER H 4.000 . 4.000 3.436 3.390 3.460 . 0 0 "[ . 1 . 2 ]" 1
1202 1 48 SER HA 1 49 PHE H 4.500 . 4.500 3.458 3.431 3.489 . 0 0 "[ . 1 . 2 ]" 1
1203 1 50 PRO HA 1 51 LYS H 4.000 . 4.000 3.595 3.582 3.606 . 0 0 "[ . 1 . 2 ]" 1
1204 1 51 LYS HA 1 52 ARG H 2.500 . 2.500 2.230 2.179 2.309 . 0 0 "[ . 1 . 2 ]" 1
1205 1 53 PRO HA 1 54 LEU H 3.500 . 3.500 2.532 2.475 2.594 . 0 0 "[ . 1 . 2 ]" 1
1206 1 55 PRO HA 1 56 GLU H 3.500 . 3.500 2.226 2.179 2.366 . 0 0 "[ . 1 . 2 ]" 1
1207 1 56 GLU HA 1 57 ARG H 3.500 . 3.500 2.841 2.613 3.088 . 0 0 "[ . 1 . 2 ]" 1
1208 1 57 ARG HA 1 58 THR H 3.000 . 3.000 2.240 2.190 2.321 . 0 0 "[ . 1 . 2 ]" 1
1209 1 57 ARG H 1 58 THR HA 5.500 . 5.500 4.713 4.654 4.774 . 0 0 "[ . 1 . 2 ]" 1
1210 1 58 THR HA 1 59 ASN H 2.500 . 2.500 2.190 2.178 2.200 . 0 0 "[ . 1 . 2 ]" 1
1211 1 59 ASN HA 1 60 VAL H 2.500 . 2.500 2.265 2.210 2.356 . 0 0 "[ . 1 . 2 ]" 1
1212 1 60 VAL HA 1 61 VAL H 2.500 . 2.500 2.234 2.207 2.261 . 0 0 "[ . 1 . 2 ]" 1
1213 1 61 VAL HA 1 62 LEU H 2.500 . 2.500 2.303 2.267 2.339 . 0 0 "[ . 1 . 2 ]" 1
1214 1 62 LEU HA 1 63 THR H 2.500 . 2.500 2.197 2.175 2.218 . 0 0 "[ . 1 . 2 ]" 1
1215 1 63 THR HA 1 64 HIS H 3.500 . 3.500 2.375 2.354 2.422 . 0 0 "[ . 1 . 2 ]" 1
1216 1 64 HIS HA 1 65 GLN H 4.500 . 4.500 3.272 3.191 3.404 . 0 0 "[ . 1 . 2 ]" 1
1217 1 65 GLN HA 1 66 GLU H 3.000 . 3.000 2.561 2.457 2.628 . 0 0 "[ . 1 . 2 ]" 1
1218 1 66 GLU HA 1 67 ASP H 4.500 . 4.500 3.470 3.375 3.528 . 0 0 "[ . 1 . 2 ]" 1
1219 1 67 ASP HA 1 68 TYR H 3.500 . 3.500 2.987 2.883 3.102 . 0 0 "[ . 1 . 2 ]" 1
1220 1 67 ASP H 1 68 TYR HA 6.500 . 6.500 4.575 4.518 4.640 . 0 0 "[ . 1 . 2 ]" 1
1221 1 68 TYR HA 1 69 GLN H 2.500 . 2.500 2.201 2.183 2.226 . 0 0 "[ . 1 . 2 ]" 1
1222 1 69 GLN HA 1 70 ALA H 2.500 . 2.500 2.207 2.181 2.237 . 0 0 "[ . 1 . 2 ]" 1
1223 1 70 ALA HA 1 71 GLN H 2.500 . 2.500 2.336 2.229 2.404 . 0 0 "[ . 1 . 2 ]" 1
1224 1 71 GLN HA 1 72 GLY H 3.500 . 3.500 2.222 2.184 2.436 . 0 0 "[ . 1 . 2 ]" 1
1225 1 72 GLY QA 1 73 ALA H 3.500 . 3.500 2.780 2.689 2.836 . 0 0 "[ . 1 . 2 ]" 1
1226 1 74 VAL HA 1 75 VAL H 3.000 . 3.000 2.383 2.188 2.503 . 0 0 "[ . 1 . 2 ]" 1
1227 1 75 VAL HA 1 76 VAL H 2.500 . 2.500 2.218 2.188 2.234 . 0 0 "[ . 1 . 2 ]" 1
1228 1 76 VAL HA 1 77 HIS H 3.000 . 3.000 2.413 2.307 2.464 . 0 0 "[ . 1 . 2 ]" 1
1229 1 77 HIS HA 1 78 ASP H 3.500 . 3.500 2.961 2.909 3.028 . 0 0 "[ . 1 . 2 ]" 1
1230 1 78 ASP HA 1 79 VAL H 2.500 . 2.500 2.196 2.170 2.217 . 0 0 "[ . 1 . 2 ]" 1
1231 1 79 VAL HA 1 80 ALA H 4.500 . 4.500 3.529 3.509 3.554 . 0 0 "[ . 1 . 2 ]" 1
1232 1 85 TYR HA 1 86 ALA H 4.500 . 4.500 3.593 3.581 3.607 . 0 0 "[ . 1 . 2 ]" 1
1233 1 88 GLN HA 1 89 HIS H 4.500 . 4.500 3.526 3.316 3.586 . 0 0 "[ . 1 . 2 ]" 1
1234 1 91 ASP HA 1 92 GLN H 4.500 . 4.500 3.186 3.097 3.233 . 0 0 "[ . 1 . 2 ]" 1
1235 1 92 GLN HA 1 93 GLU H 3.500 . 3.500 2.288 2.255 2.317 . 0 0 "[ . 1 . 2 ]" 1
1236 1 93 GLU HA 1 94 LEU H 3.500 . 3.500 2.799 2.710 2.874 . 0 0 "[ . 1 . 2 ]" 1
1237 1 94 LEU HA 1 95 VAL H 2.500 . 2.500 2.198 2.179 2.208 . 0 0 "[ . 1 . 2 ]" 1
1238 1 95 VAL HA 1 96 ILE H 2.500 . 2.500 2.186 2.172 2.204 . 0 0 "[ . 1 . 2 ]" 1
1239 1 96 ILE HA 1 97 ALA H 2.500 . 2.500 2.264 2.223 2.300 . 0 0 "[ . 1 . 2 ]" 1
1240 1 98 GLY QA 1 99 GLY H 4.500 . 4.500 3.265 3.254 3.273 . 0 0 "[ . 1 . 2 ]" 1
1241 1 98 GLY H 1 99 GLY QA 5.500 . 5.500 4.551 4.501 4.580 . 0 0 "[ . 1 . 2 ]" 1
1242 1 99 GLY QA 1 100 ALA H 2.500 . 2.500 2.168 2.159 2.177 . 0 0 "[ . 1 . 2 ]" 1
1243 1 102 ILE HA 1 103 PHE H 4.000 . 4.000 3.528 3.504 3.554 . 0 0 "[ . 1 . 2 ]" 1
1244 1 106 PHE HA 1 107 LYS H 3.500 . 3.500 3.366 3.313 3.462 . 0 0 "[ . 1 . 2 ]" 1
1245 1 107 LYS HA 1 108 ASP H 4.500 . 4.500 3.581 3.568 3.604 . 0 0 "[ . 1 . 2 ]" 1
1246 1 108 ASP HA 1 109 ASP H 4.500 . 4.500 3.552 3.541 3.569 . 0 0 "[ . 1 . 2 ]" 1
1247 1 109 ASP HA 1 110 VAL H 3.500 . 3.500 2.363 2.320 2.385 . 0 0 "[ . 1 . 2 ]" 1
1248 1 110 VAL HA 1 111 ASP H 2.500 . 2.500 2.289 2.173 2.373 . 0 0 "[ . 1 . 2 ]" 1
1249 1 112 THR HA 1 113 LEU H 2.500 . 2.500 2.226 2.201 2.348 . 0 0 "[ . 1 . 2 ]" 1
1250 1 113 LEU HA 1 114 LEU H 2.500 . 2.500 2.201 2.185 2.214 . 0 0 "[ . 1 . 2 ]" 1
1251 1 114 LEU HA 1 115 VAL H 2.500 . 2.500 2.211 2.143 2.281 . 0 0 "[ . 1 . 2 ]" 1
1252 1 115 VAL HA 1 116 THR H 2.500 . 2.500 2.211 2.177 2.243 . 0 0 "[ . 1 . 2 ]" 1
1253 1 116 THR HA 1 117 ARG H 2.500 . 2.500 2.216 2.206 2.232 . 0 0 "[ . 1 . 2 ]" 1
1254 1 118 LEU HA 1 119 ALA H 3.000 . 3.000 2.362 2.322 2.398 . 0 0 "[ . 1 . 2 ]" 1
1255 1 119 ALA HA 1 120 GLY H 4.500 . 4.500 3.510 3.491 3.524 . 0 0 "[ . 1 . 2 ]" 1
1256 1 119 ALA H 1 120 GLY HA3 5.500 . 5.500 4.745 4.705 4.786 . 0 0 "[ . 1 . 2 ]" 1
1257 1 120 GLY QA 1 121 SER H 2.500 . 2.500 2.311 2.300 2.323 . 0 0 "[ . 1 . 2 ]" 1
1258 1 121 SER HA 1 122 PHE H 2.500 . 2.500 2.197 2.174 2.216 . 0 0 "[ . 1 . 2 ]" 1
1259 1 122 PHE HA 1 123 GLU H 2.500 . 2.500 2.415 2.399 2.429 . 0 0 "[ . 1 . 2 ]" 1
1260 1 123 GLU HA 1 124 GLY H 2.500 . 2.500 2.405 2.336 2.460 . 0 0 "[ . 1 . 2 ]" 1
1261 1 124 GLY QA 1 125 ASP H 3.500 . 3.500 2.293 2.263 2.320 . 0 0 "[ . 1 . 2 ]" 1
1262 1 124 GLY H 1 125 ASP HA 6.000 . 6.000 4.483 4.417 4.515 . 0 0 "[ . 1 . 2 ]" 1
1263 1 126 THR HA 1 127 LYS H 2.500 . 2.500 2.186 2.171 2.209 . 0 0 "[ . 1 . 2 ]" 1
1264 1 127 LYS HA 1 128 MET H 3.000 . 3.000 2.407 2.329 2.483 . 0 0 "[ . 1 . 2 ]" 1
1265 1 128 MET HA 1 129 ILE H 2.500 . 2.500 2.343 2.270 2.421 . 0 0 "[ . 1 . 2 ]" 1
1266 1 130 PRO HA 1 131 LEU H 2.500 . 2.500 2.260 2.245 2.280 . 0 0 "[ . 1 . 2 ]" 1
1267 1 131 LEU HA 1 132 ASN H 3.000 . 3.000 2.362 2.312 2.407 . 0 0 "[ . 1 . 2 ]" 1
1268 1 132 ASN HA 1 133 TRP H 3.000 . 3.000 2.505 2.474 2.527 . 0 0 "[ . 1 . 2 ]" 1
1269 1 134 ASP HA 1 135 ASP H 4.000 . 4.000 3.507 3.496 3.524 . 0 0 "[ . 1 . 2 ]" 1
1270 1 136 PHE HA 1 137 THR H 3.000 . 3.000 2.442 2.401 2.481 . 0 0 "[ . 1 . 2 ]" 1
1271 1 137 THR HA 1 138 LYS H 2.500 . 2.500 2.221 2.201 2.236 . 0 0 "[ . 1 . 2 ]" 1
1272 1 138 LYS HA 1 139 VAL H 2.500 . 2.500 2.186 2.162 2.197 . 0 0 "[ . 1 . 2 ]" 1
1273 1 140 SER HA 1 141 SER H 3.000 . 3.000 2.226 2.195 2.251 . 0 0 "[ . 1 . 2 ]" 1
1274 1 142 ARG HA 1 143 THR H 2.500 . 2.500 2.251 2.234 2.277 . 0 0 "[ . 1 . 2 ]" 1
1275 1 143 THR HA 1 144 VAL H 2.500 . 2.500 2.206 2.188 2.223 . 0 0 "[ . 1 . 2 ]" 1
1276 1 144 VAL HA 1 145 GLU H 2.500 . 2.500 2.187 2.161 2.214 . 0 0 "[ . 1 . 2 ]" 1
1277 1 145 GLU HA 1 146 ASP H 2.500 . 2.500 2.390 2.197 2.428 . 0 0 "[ . 1 . 2 ]" 1
1278 1 146 ASP HA 1 147 THR H 3.000 . 3.000 2.375 2.344 2.513 . 0 0 "[ . 1 . 2 ]" 1
1279 1 147 THR HA 1 148 ASN H 4.500 . 4.500 3.429 3.406 3.500 . 0 0 "[ . 1 . 2 ]" 1
1280 1 149 PRO HA 1 150 ALA H 4.500 . 4.500 3.578 3.553 3.588 . 0 0 "[ . 1 . 2 ]" 1
1281 1 152 THR HA 1 153 HIS H 2.500 . 2.500 2.341 2.294 2.392 . 0 0 "[ . 1 . 2 ]" 1
1282 1 153 HIS HA 1 154 THR H 3.000 . 3.000 2.422 2.316 2.502 . 0 0 "[ . 1 . 2 ]" 1
1283 1 154 THR HA 1 155 TYR H 2.500 . 2.500 2.358 2.322 2.381 . 0 0 "[ . 1 . 2 ]" 1
1284 1 155 TYR HA 1 156 GLU H 2.500 . 2.500 2.225 2.187 2.243 . 0 0 "[ . 1 . 2 ]" 1
1285 1 156 GLU HA 1 157 VAL H 2.500 . 2.500 2.202 2.178 2.357 . 0 0 "[ . 1 . 2 ]" 1
1286 1 157 VAL HA 1 158 TRP H 2.500 . 2.500 2.223 2.214 2.239 . 0 0 "[ . 1 . 2 ]" 1
1287 1 158 TRP HA 1 159 GLN H 2.500 . 2.500 2.393 2.360 2.424 . 0 0 "[ . 1 . 2 ]" 1
1288 1 159 GLN HA 1 160 LYS H 2.500 . 2.500 2.339 2.317 2.362 . 0 0 "[ . 1 . 2 ]" 1
1289 1 160 LYS HA 1 161 LYS H 2.500 . 2.500 2.193 2.178 2.214 . 0 0 "[ . 1 . 2 ]" 1
1290 1 161 LYS HA 1 162 ALA H 3.000 . 3.000 2.399 2.274 2.552 . 0 0 "[ . 1 . 2 ]" 1
1291 1 2 ALA MB 1 3 PHE H 3.500 . 3.500 2.683 2.491 2.795 . 0 0 "[ . 1 . 2 ]" 1
1292 1 3 PHE HB3 1 4 LEU H 4.500 . 4.500 3.300 3.220 3.402 . 0 0 "[ . 1 . 2 ]" 1
1293 1 3 PHE HB2 1 4 LEU H 5.000 . 5.000 4.352 4.282 4.426 . 0 0 "[ . 1 . 2 ]" 1
1294 1 4 LEU QB 1 5 TRP H 4.500 . 4.500 4.050 4.002 4.076 . 0 0 "[ . 1 . 2 ]" 1
1295 1 5 TRP HB3 1 6 ALA H 4.500 . 4.500 4.001 3.688 4.295 . 0 0 "[ . 1 . 2 ]" 1
1296 1 5 TRP HB2 1 6 ALA H 3.500 . 3.500 2.700 2.203 3.182 . 0 0 "[ . 1 . 2 ]" 1
1297 1 6 ALA MB 1 7 GLN H 4.500 . 4.500 3.166 2.942 3.609 . 0 0 "[ . 1 . 2 ]" 1
1298 1 7 GLN HB2 1 8 ASP H 3.500 . 3.500 2.645 2.557 2.742 . 0 0 "[ . 1 . 2 ]" 1
1299 1 7 GLN HB3 1 8 ASP H 5.500 . 5.500 3.852 3.775 3.992 . 0 0 "[ . 1 . 2 ]" 1
1300 1 8 ASP QB 1 9 ARG H 3.500 . 3.500 1.935 1.880 2.044 . 0 0 "[ . 1 . 2 ]" 1
1301 1 9 ARG HB2 1 10 ASP H 4.500 . 4.500 3.608 3.505 3.750 . 0 0 "[ . 1 . 2 ]" 1
1302 1 9 ARG HB3 1 10 ASP H 5.500 . 5.500 3.980 3.950 4.023 . 0 0 "[ . 1 . 2 ]" 1
1303 1 10 ASP QB 1 11 GLY H 3.500 . 3.500 2.839 2.708 2.955 . 0 0 "[ . 1 . 2 ]" 1
1304 1 11 GLY H 1 12 LEU HB2 5.500 . 5.500 4.254 4.043 4.672 . 0 0 "[ . 1 . 2 ]" 1
1305 1 12 LEU HB3 1 13 ILE H 4.500 . 4.500 3.667 3.400 4.039 . 0 0 "[ . 1 . 2 ]" 1
1306 1 15 LYS HB3 1 16 ASP H 5.500 . 5.500 4.139 3.909 4.389 . 0 0 "[ . 1 . 2 ]" 1
1307 1 18 HIS QB 1 19 LEU H 4.500 . 4.500 2.474 1.846 3.173 . 0 0 "[ . 1 . 2 ]" 1
1308 1 20 PRO HB2 1 21 TRP H 3.500 . 3.500 3.121 2.859 3.334 . 0 0 "[ . 1 . 2 ]" 1
1309 1 21 TRP HB3 1 22 HIS H 4.500 . 4.500 3.935 3.366 4.236 . 0 0 "[ . 1 . 2 ]" 1
1310 1 21 TRP HB2 1 22 HIS H 5.500 . 5.500 2.784 1.765 3.327 . 0 0 "[ . 1 . 2 ]" 1
1311 1 24 PRO QB 1 25 ASP H 3.500 . 3.500 2.942 2.846 3.034 . 0 0 "[ . 1 . 2 ]" 1
1312 1 25 ASP HB3 1 26 ASP H 4.500 . 4.500 3.006 2.935 3.113 . 0 0 "[ . 1 . 2 ]" 1
1313 1 26 ASP HB2 1 27 LEU H 4.500 . 4.500 3.953 3.839 4.028 . 0 0 "[ . 1 . 2 ]" 1
1314 1 26 ASP HB3 1 27 LEU H 4.500 . 4.500 2.600 2.461 2.725 . 0 0 "[ . 1 . 2 ]" 1
1315 1 27 LEU HB3 1 28 HIS H 4.500 . 4.500 3.493 3.312 3.636 . 0 0 "[ . 1 . 2 ]" 1
1316 1 27 LEU HB2 1 28 HIS H 4.500 . 4.500 2.506 2.356 2.696 . 0 0 "[ . 1 . 2 ]" 1
1317 1 28 HIS HB2 1 29 TYR H 3.500 . 3.500 2.644 2.570 2.708 . 0 0 "[ . 1 . 2 ]" 1
1318 1 29 TYR HB3 1 30 PHE H 4.500 . 4.500 2.682 2.601 2.747 . 0 0 "[ . 1 . 2 ]" 1
1319 1 30 PHE HB3 1 31 ARG H 3.500 . 3.500 2.424 2.351 2.517 . 0 0 "[ . 1 . 2 ]" 1
1320 1 31 ARG HB2 1 32 ALA H 4.500 . 4.500 3.521 3.130 4.015 . 0 0 "[ . 1 . 2 ]" 1
1321 1 31 ARG HB3 1 32 ALA H 4.500 . 4.500 2.242 1.986 2.776 . 0 0 "[ . 1 . 2 ]" 1
1322 1 31 ARG H 1 32 ALA MB 5.500 . 5.500 4.364 4.233 4.449 . 0 0 "[ . 1 . 2 ]" 1
1323 1 35 VAL HB 1 36 GLY H 4.500 . 4.500 3.525 3.250 3.697 . 0 0 "[ . 1 . 2 ]" 1
1324 1 37 LYS HB3 1 38 ILE H 3.500 . 3.500 2.518 2.385 2.731 . 0 0 "[ . 1 . 2 ]" 1
1325 1 37 LYS HB2 1 38 ILE H 4.500 . 4.500 3.768 3.521 3.902 . 0 0 "[ . 1 . 2 ]" 1
1326 1 39 MET HB3 1 40 VAL H 4.500 . 4.500 4.306 4.137 4.407 . 0 0 "[ . 1 . 2 ]" 1
1327 1 41 VAL HB 1 42 GLY H 3.500 . 3.500 3.054 1.943 3.474 . 0 0 "[ . 1 . 2 ]" 1
1328 1 44 ARG QB 1 45 THR H 3.500 . 3.500 2.576 2.438 2.701 . 0 0 "[ . 1 . 2 ]" 1
1329 1 46 TYR HB3 1 47 GLU H 3.500 . 3.500 2.639 2.343 2.842 . 0 0 "[ . 1 . 2 ]" 1
1330 1 45 THR HB 1 46 TYR H 3.500 . 3.500 2.407 2.240 2.690 . 0 0 "[ . 1 . 2 ]" 1
1331 1 47 GLU HB2 1 48 SER H 4.500 . 4.500 3.285 3.180 3.387 . 0 0 "[ . 1 . 2 ]" 1
1332 1 47 GLU HB3 1 48 SER H 4.500 . 4.500 3.808 3.697 3.935 . 0 0 "[ . 1 . 2 ]" 1
1333 1 48 SER QB 1 49 PHE H 4.500 . 4.500 3.141 2.959 3.682 . 0 0 "[ . 1 . 2 ]" 1
1334 1 51 LYS QB 1 52 ARG H 4.000 . 4.000 3.707 3.384 4.012 0.012 13 0 "[ . 1 . 2 ]" 1
1335 1 53 PRO QB 1 54 LEU H 3.500 . 3.500 2.407 2.257 2.506 . 0 0 "[ . 1 . 2 ]" 1
1336 1 55 PRO QB 1 56 GLU H 4.500 . 4.500 3.263 2.800 3.737 . 0 0 "[ . 1 . 2 ]" 1
1337 1 57 ARG HB3 1 58 THR H 4.500 . 4.500 3.143 2.766 3.412 . 0 0 "[ . 1 . 2 ]" 1
1338 1 59 ASN HB2 1 60 VAL H 4.500 . 4.500 4.017 3.626 4.353 . 0 0 "[ . 1 . 2 ]" 1
1339 1 59 ASN HB3 1 60 VAL H 3.500 . 3.500 3.157 2.812 3.419 . 0 0 "[ . 1 . 2 ]" 1
1340 1 60 VAL HB 1 61 VAL H 4.500 . 4.500 4.084 4.015 4.153 . 0 0 "[ . 1 . 2 ]" 1
1341 1 61 VAL HB 1 62 LEU H 4.500 . 4.500 3.748 3.668 3.843 . 0 0 "[ . 1 . 2 ]" 1
1342 1 64 HIS H 1 65 GLN QB 5.500 . 5.500 4.242 4.127 4.387 . 0 0 "[ . 1 . 2 ]" 1
1343 1 65 GLN QB 1 66 GLU H 3.500 . 3.500 2.204 2.090 2.415 . 0 0 "[ . 1 . 2 ]" 1
1344 1 66 GLU QB 1 67 ASP H 4.500 . 4.500 3.109 2.834 3.802 . 0 0 "[ . 1 . 2 ]" 1
1345 1 67 ASP QB 1 68 TYR H 4.000 . 4.000 3.781 3.674 3.876 . 0 0 "[ . 1 . 2 ]" 1
1346 1 68 TYR HB3 1 69 GLN H 5.500 . 5.500 4.159 4.090 4.232 . 0 0 "[ . 1 . 2 ]" 1
1347 1 69 GLN HB3 1 70 ALA H 4.500 . 4.500 3.749 3.419 3.907 . 0 0 "[ . 1 . 2 ]" 1
1348 1 69 GLN HB2 1 70 ALA H 5.000 . 5.000 4.420 4.301 4.521 . 0 0 "[ . 1 . 2 ]" 1
1349 1 70 ALA MB 1 71 GLN H 4.500 . 4.500 3.638 3.502 3.684 . 0 0 "[ . 1 . 2 ]" 1
1350 1 71 GLN QB 1 72 GLY H 4.500 . 4.500 3.210 2.633 3.542 . 0 0 "[ . 1 . 2 ]" 1
1351 1 73 ALA MB 1 74 VAL H 3.000 . 3.000 2.821 2.076 2.989 . 0 0 "[ . 1 . 2 ]" 1
1352 1 74 VAL HB 1 75 VAL H 4.500 . 4.500 3.747 3.573 4.193 . 0 0 "[ . 1 . 2 ]" 1
1353 1 75 VAL HB 1 76 VAL H 4.500 . 4.500 4.172 4.078 4.217 . 0 0 "[ . 1 . 2 ]" 1
1354 1 76 VAL HB 1 77 HIS H 3.500 . 3.500 2.559 2.416 2.849 . 0 0 "[ . 1 . 2 ]" 1
1355 1 78 ASP QB 1 79 VAL H 4.500 . 4.500 3.762 3.630 3.871 . 0 0 "[ . 1 . 2 ]" 1
1356 1 79 VAL HB 1 80 ALA H 3.500 . 3.500 2.819 2.667 2.926 . 0 0 "[ . 1 . 2 ]" 1
1357 1 79 VAL H 1 80 ALA MB 5.500 . 5.500 4.560 4.508 4.607 . 0 0 "[ . 1 . 2 ]" 1
1358 1 80 ALA MB 1 81 ALA H 3.500 . 3.500 2.567 2.442 2.679 . 0 0 "[ . 1 . 2 ]" 1
1359 1 80 ALA H 1 81 ALA MB 4.500 . 4.500 4.378 4.316 4.443 . 0 0 "[ . 1 . 2 ]" 1
1360 1 82 VAL HB 1 83 PHE H 3.500 . 3.500 2.535 2.088 2.625 . 0 0 "[ . 1 . 2 ]" 1
1361 1 83 PHE HB3 1 84 ALA H 4.500 . 4.500 3.472 3.297 3.612 . 0 0 "[ . 1 . 2 ]" 1
1362 1 83 PHE HB2 1 84 ALA H 3.500 . 3.500 2.933 2.700 3.097 . 0 0 "[ . 1 . 2 ]" 1
1363 1 84 ALA H 1 85 TYR HB2 5.500 . 5.500 4.785 4.469 5.059 . 0 0 "[ . 1 . 2 ]" 1
1364 1 85 TYR HB3 1 86 ALA H 3.500 . 3.500 2.281 2.185 2.368 . 0 0 "[ . 1 . 2 ]" 1
1365 1 85 TYR HB2 1 86 ALA H 4.500 . 4.500 3.450 3.368 3.558 . 0 0 "[ . 1 . 2 ]" 1
1366 1 87 LYS H 1 88 GLN QB 5.500 . 5.500 4.372 4.279 4.556 . 0 0 "[ . 1 . 2 ]" 1
1367 1 87 LYS HB3 1 88 GLN H 3.500 . 3.500 3.197 2.945 3.510 0.010 13 0 "[ . 1 . 2 ]" 1
1368 1 88 GLN QB 1 89 HIS H 3.500 . 3.500 2.983 2.722 3.500 . 0 0 "[ . 1 . 2 ]" 1
1369 1 90 PRO QB 1 91 ASP H 4.500 . 4.500 3.637 2.629 3.792 . 0 0 "[ . 1 . 2 ]" 1
1370 1 92 GLN HB3 1 93 GLU H 4.500 . 4.500 4.183 4.042 4.305 . 0 0 "[ . 1 . 2 ]" 1
1371 1 93 GLU HB3 1 94 LEU H 3.000 . 3.000 1.768 1.716 1.832 . 0 0 "[ . 1 . 2 ]" 1
1372 1 93 GLU HB2 1 94 LEU H 4.500 . 4.500 3.127 2.949 3.298 . 0 0 "[ . 1 . 2 ]" 1
1373 1 94 LEU QB 1 95 VAL H 4.500 . 4.500 3.785 3.694 3.834 . 0 0 "[ . 1 . 2 ]" 1
1374 1 95 VAL HB 1 96 ILE H 5.500 . 5.500 4.193 4.081 4.261 . 0 0 "[ . 1 . 2 ]" 1
1375 1 100 ALA MB 1 101 GLN H 3.500 . 3.500 2.636 2.498 2.774 . 0 0 "[ . 1 . 2 ]" 1
1376 1 101 GLN H 1 102 ILE HB 5.500 . 5.500 5.230 5.151 5.384 . 0 0 "[ . 1 . 2 ]" 1
1377 1 101 GLN HB3 1 102 ILE H 5.500 . 5.500 3.002 2.610 3.791 . 0 0 "[ . 1 . 2 ]" 1
1378 1 103 PHE HB2 1 104 THR H 4.500 . 4.500 3.042 2.972 3.140 . 0 0 "[ . 1 . 2 ]" 1
1379 1 103 PHE HB3 1 104 THR H 4.000 . 4.000 3.906 3.813 3.982 . 0 0 "[ . 1 . 2 ]" 1
1380 1 104 THR HB 1 105 ALA H 3.500 . 3.500 2.409 2.276 3.514 0.014 11 0 "[ . 1 . 2 ]" 1
1381 1 106 PHE HB2 1 107 LYS H 5.500 . 5.500 3.461 3.219 3.600 . 0 0 "[ . 1 . 2 ]" 1
1382 1 106 PHE HB3 1 107 LYS H 4.500 . 4.500 4.109 3.890 4.217 . 0 0 "[ . 1 . 2 ]" 1
1383 1 106 PHE H 1 107 LYS HB2 6.000 . 6.000 5.845 5.605 5.958 . 0 0 "[ . 1 . 2 ]" 1
1384 1 106 PHE H 1 107 LYS HB3 5.500 . 5.500 4.414 4.108 4.840 . 0 0 "[ . 1 . 2 ]" 1
1385 1 107 LYS HB2 1 108 ASP H 4.500 . 4.500 3.943 3.651 4.157 . 0 0 "[ . 1 . 2 ]" 1
1386 1 107 LYS HB3 1 108 ASP H 4.500 . 4.500 3.941 3.721 4.231 . 0 0 "[ . 1 . 2 ]" 1
1387 1 108 ASP H 1 109 ASP HB2 5.500 . 5.500 4.802 4.678 4.951 . 0 0 "[ . 1 . 2 ]" 1
1388 1 108 ASP H 1 109 ASP HB3 6.500 . 6.500 6.174 5.655 6.357 . 0 0 "[ . 1 . 2 ]" 1
1389 1 112 THR HB 1 113 LEU H 5.500 . 5.500 4.015 3.672 4.173 . 0 0 "[ . 1 . 2 ]" 1
1390 1 113 LEU HB2 1 114 LEU H 4.500 . 4.500 4.180 4.126 4.261 . 0 0 "[ . 1 . 2 ]" 1
1391 1 114 LEU HB3 1 115 VAL H 5.500 . 5.500 3.881 3.687 4.048 . 0 0 "[ . 1 . 2 ]" 1
1392 1 114 LEU HB2 1 115 VAL H 5.000 . 5.000 4.383 4.251 4.484 . 0 0 "[ . 1 . 2 ]" 1
1393 1 116 THR HB 1 117 ARG H 5.500 . 5.500 4.115 3.915 4.339 . 0 0 "[ . 1 . 2 ]" 1
1394 1 117 ARG HB3 1 118 LEU H 4.500 . 4.500 3.672 3.524 3.835 . 0 0 "[ . 1 . 2 ]" 1
1395 1 117 ARG HB2 1 118 LEU H 5.500 . 5.500 4.465 4.330 4.604 . 0 0 "[ . 1 . 2 ]" 1
1396 1 118 LEU HB3 1 119 ALA H 4.500 . 4.500 2.715 2.602 2.840 . 0 0 "[ . 1 . 2 ]" 1
1397 1 119 ALA MB 1 120 GLY H 3.500 . 3.500 2.846 2.755 2.945 . 0 0 "[ . 1 . 2 ]" 1
1398 1 121 SER QB 1 122 PHE H 4.500 . 4.500 3.571 3.389 3.929 . 0 0 "[ . 1 . 2 ]" 1
1399 1 122 PHE HB3 1 123 GLU H 3.500 . 3.500 2.592 2.541 2.634 . 0 0 "[ . 1 . 2 ]" 1
1400 1 122 PHE HB2 1 123 GLU H 4.000 . 4.000 3.564 3.489 3.623 . 0 0 "[ . 1 . 2 ]" 1
1401 1 123 GLU QB 1 124 GLY H 3.500 . 3.500 2.577 2.410 3.320 . 0 0 "[ . 1 . 2 ]" 1
1402 1 125 ASP H 1 126 THR HB 5.500 . 5.500 4.232 4.096 4.445 . 0 0 "[ . 1 . 2 ]" 1
1403 1 126 THR HB 1 127 LYS H 4.500 . 4.500 4.124 4.018 4.226 . 0 0 "[ . 1 . 2 ]" 1
1404 1 127 LYS HB2 1 128 MET H 4.000 . 4.000 3.699 3.463 3.963 . 0 0 "[ . 1 . 2 ]" 1
1405 1 127 LYS HB3 1 128 MET H 4.500 . 4.500 2.527 2.381 2.759 . 0 0 "[ . 1 . 2 ]" 1
1406 1 128 MET HB3 1 129 ILE H 4.500 . 4.500 3.382 3.312 3.476 . 0 0 "[ . 1 . 2 ]" 1
1407 1 130 PRO QB 1 131 LEU H 4.500 . 4.500 3.700 3.666 3.737 . 0 0 "[ . 1 . 2 ]" 1
1408 1 131 LEU HB3 1 132 ASN H 4.500 . 4.500 2.759 2.618 2.904 . 0 0 "[ . 1 . 2 ]" 1
1409 1 131 LEU HB2 1 132 ASN H 4.500 . 4.500 4.047 3.946 4.147 . 0 0 "[ . 1 . 2 ]" 1
1410 1 132 ASN HB3 1 133 TRP H 5.500 . 5.500 4.324 4.287 4.384 . 0 0 "[ . 1 . 2 ]" 1
1411 1 132 ASN HB2 1 133 TRP H 5.500 . 5.500 4.662 4.573 4.693 . 0 0 "[ . 1 . 2 ]" 1
1412 1 134 ASP HB2 1 135 ASP H 4.500 . 4.500 3.559 3.199 3.810 . 0 0 "[ . 1 . 2 ]" 1
1413 1 135 ASP HB3 1 136 PHE H 4.500 . 4.500 3.574 3.313 3.999 . 0 0 "[ . 1 . 2 ]" 1
1414 1 135 ASP HB2 1 136 PHE H 4.500 . 4.500 3.786 3.478 4.197 . 0 0 "[ . 1 . 2 ]" 1
1415 1 136 PHE HB2 1 137 THR H 4.500 . 4.500 3.688 3.600 3.781 . 0 0 "[ . 1 . 2 ]" 1
1416 1 137 THR HB 1 138 LYS H 4.500 . 4.500 4.016 3.940 4.113 . 0 0 "[ . 1 . 2 ]" 1
1417 1 140 SER QB 1 141 SER H 3.500 . 3.500 3.126 2.938 3.531 0.031 23 0 "[ . 1 . 2 ]" 1
1418 1 141 SER HB2 1 142 ARG H 5.500 . 5.500 4.020 3.452 4.430 . 0 0 "[ . 1 . 2 ]" 1
1419 1 141 SER HB3 1 142 ARG H 4.500 . 4.500 3.651 3.302 4.197 . 0 0 "[ . 1 . 2 ]" 1
1420 1 142 ARG QB 1 143 THR H 4.500 . 4.500 3.712 3.661 3.790 . 0 0 "[ . 1 . 2 ]" 1
1421 1 143 THR HB 1 144 VAL H 4.500 . 4.500 4.045 3.949 4.111 . 0 0 "[ . 1 . 2 ]" 1
1422 1 144 VAL HB 1 145 GLU H 4.500 . 4.500 4.262 4.138 4.516 0.016 10 0 "[ . 1 . 2 ]" 1
1423 1 145 GLU QB 1 146 ASP H 3.500 . 3.500 2.633 2.485 3.526 0.026 5 0 "[ . 1 . 2 ]" 1
1424 1 146 ASP HB3 1 147 THR H 4.500 . 4.500 3.157 2.857 3.356 . 0 0 "[ . 1 . 2 ]" 1
1425 1 146 ASP HB2 1 147 THR H 4.500 . 4.500 4.154 3.827 4.216 . 0 0 "[ . 1 . 2 ]" 1
1426 1 147 THR HB 1 148 ASN H 4.000 . 4.000 3.902 3.664 4.000 0.000 12 0 "[ . 1 . 2 ]" 1
1427 1 149 PRO QB 1 150 ALA H 3.500 . 3.500 2.593 2.454 2.761 . 0 0 "[ . 1 . 2 ]" 1
1428 1 151 LEU HB2 1 152 THR H 5.500 . 5.500 3.524 3.404 3.599 . 0 0 "[ . 1 . 2 ]" 1
1429 1 151 LEU H 1 152 THR HB 5.500 . 5.500 5.262 5.085 5.439 . 0 0 "[ . 1 . 2 ]" 1
1430 1 153 HIS QB 1 154 THR H . . 3.500 2.346 2.170 2.566 . 0 0 "[ . 1 . 2 ]" 1
1431 1 154 THR HB 1 155 TYR H 4.500 . 4.500 3.682 3.599 3.824 . 0 0 "[ . 1 . 2 ]" 1
1432 1 155 TYR HB2 1 156 GLU H 5.500 . 5.500 4.257 4.195 4.321 . 0 0 "[ . 1 . 2 ]" 1
1433 1 155 TYR HB3 1 156 GLU H 5.500 . 5.500 3.455 3.368 3.517 . 0 0 "[ . 1 . 2 ]" 1
1434 1 156 GLU HB3 1 157 VAL H 3.500 . 3.500 3.387 2.680 3.510 0.010 21 0 "[ . 1 . 2 ]" 1
1435 1 156 GLU HB2 1 157 VAL H 5.000 . 5.000 4.249 3.803 4.454 . 0 0 "[ . 1 . 2 ]" 1
1436 1 157 VAL HB 1 158 TRP H 5.500 . 5.500 4.210 4.112 4.309 . 0 0 "[ . 1 . 2 ]" 1
1437 1 158 TRP HB2 1 159 GLN H 4.500 . 4.500 3.571 3.438 3.672 . 0 0 "[ . 1 . 2 ]" 1
1438 1 158 TRP HB3 1 159 GLN H 4.500 . 4.500 2.465 2.387 2.555 . 0 0 "[ . 1 . 2 ]" 1
1439 1 159 GLN HB2 1 160 LYS H 4.500 . 4.500 4.185 4.087 4.254 . 0 0 "[ . 1 . 2 ]" 1
1440 1 159 GLN HB3 1 160 LYS H 4.500 . 4.500 3.071 3.010 3.127 . 0 0 "[ . 1 . 2 ]" 1
1441 1 160 LYS QB 1 161 LYS H 4.500 . 4.500 3.718 3.635 3.807 . 0 0 "[ . 1 . 2 ]" 1
1442 1 161 LYS HB3 1 162 ALA H 3.500 . 3.500 2.595 2.240 3.041 . 0 0 "[ . 1 . 2 ]" 1
1443 1 161 LYS HB2 1 162 ALA H 4.500 . 4.500 3.690 3.297 4.230 . 0 0 "[ . 1 . 2 ]" 1
1444 1 1 THR MG 1 2 ALA HA 4.500 . 4.500 4.040 3.672 4.510 0.010 1 0 "[ . 1 . 2 ]" 1
1445 1 1 THR MG 1 2 ALA H 3.500 . 3.500 2.593 2.118 3.142 . 0 0 "[ . 1 . 2 ]" 1
1446 1 2 ALA MB 1 3 PHE HA 5.500 . 5.500 4.174 4.119 4.210 . 0 0 "[ . 1 . 2 ]" 1
1447 1 3 PHE QD 1 4 LEU H 4.500 . 4.500 4.138 3.373 4.423 . 0 0 "[ . 1 . 2 ]" 1
1448 1 4 LEU H 1 5 TRP HE3 4.500 . 4.500 3.193 2.904 3.298 . 0 0 "[ . 1 . 2 ]" 1
1449 1 4 LEU MD1 1 5 TRP HA 4.500 . 4.500 4.047 3.566 4.466 . 0 0 "[ . 1 . 2 ]" 1
1450 1 4 LEU MD2 1 5 TRP HA 5.500 . 5.500 5.155 5.021 5.363 . 0 0 "[ . 1 . 2 ]" 1
1451 1 4 LEU HG 1 5 TRP HA 4.500 . 4.500 3.726 3.550 3.955 . 0 0 "[ . 1 . 2 ]" 1
1452 1 4 LEU HG 1 5 TRP H 4.500 . 4.500 3.995 3.833 4.279 . 0 0 "[ . 1 . 2 ]" 1
1453 1 4 LEU HA 1 5 TRP HE3 3.500 . 3.500 3.201 2.761 3.460 . 0 0 "[ . 1 . 2 ]" 1
1454 1 4 LEU MD1 1 5 TRP H 3.500 . 3.500 2.965 2.604 3.342 . 0 0 "[ . 1 . 2 ]" 1
1455 1 5 TRP HD1 1 6 ALA H 4.500 . 4.500 3.504 2.691 4.264 . 0 0 "[ . 1 . 2 ]" 1
1456 1 5 TRP HA 1 6 ALA MB 4.500 . 4.500 3.933 3.801 4.029 . 0 0 "[ . 1 . 2 ]" 1
1457 1 7 GLN QG 1 8 ASP H 4.500 . 4.500 3.919 3.563 4.249 . 0 0 "[ . 1 . 2 ]" 1
1458 1 9 ARG QG 1 10 ASP H 3.500 . 3.500 1.877 1.791 1.948 . 0 0 "[ . 1 . 2 ]" 1
1459 1 12 LEU HG 1 13 ILE H 3.500 . 3.500 1.918 1.728 2.176 . 0 0 "[ . 1 . 2 ]" 1
1460 1 12 LEU HG 1 13 ILE HA 4.500 . 4.500 3.861 3.426 4.223 . 0 0 "[ . 1 . 2 ]" 1
1461 1 12 LEU QB 1 13 ILE HA 5.500 . 5.500 4.364 4.199 4.555 . 0 0 "[ . 1 . 2 ]" 1
1462 1 12 LEU MD1 1 13 ILE H 3.500 . 3.500 2.517 1.910 3.148 . 0 0 "[ . 1 . 2 ]" 1
1463 1 12 LEU H 1 13 ILE MG 5.500 . 5.500 4.801 4.468 5.083 . 0 0 "[ . 1 . 2 ]" 1
1464 1 13 ILE QG 1 14 GLY H 3.500 . 3.500 2.026 1.539 2.530 . 0 0 "[ . 1 . 2 ]" 1
1465 1 15 LYS QG 1 16 ASP H 4.500 . 4.500 2.751 2.193 3.915 . 0 0 "[ . 1 . 2 ]" 1
1466 1 17 GLY HA3 1 18 HIS HD2 5.000 . 5.000 4.135 3.651 4.765 . 0 0 "[ . 1 . 2 ]" 1
1467 1 18 HIS HA 1 19 LEU HG 5.500 . 5.500 4.305 3.940 4.831 . 0 0 "[ . 1 . 2 ]" 1
1468 1 19 LEU HA 1 20 PRO HD2 3.500 . 3.500 3.061 2.865 3.193 . 0 0 "[ . 1 . 2 ]" 1
1469 1 19 LEU HA 1 20 PRO HD3 3.500 . 3.500 1.932 1.867 1.971 . 0 0 "[ . 1 . 2 ]" 1
1470 1 19 LEU MD2 1 20 PRO QD 3.500 . 3.500 1.867 1.752 2.241 . 0 0 "[ . 1 . 2 ]" 1
1471 1 19 LEU HB3 1 20 PRO QD 3.500 . 3.500 2.263 2.035 2.662 . 0 0 "[ . 1 . 2 ]" 1
1472 1 19 LEU HB3 1 20 PRO HA 5.500 . 5.500 4.715 4.649 4.828 . 0 0 "[ . 1 . 2 ]" 1
1473 1 20 PRO QD 1 21 TRP H 4.500 . 4.500 1.989 1.876 2.455 . 0 0 "[ . 1 . 2 ]" 1
1474 1 20 PRO QD 1 21 TRP HE3 4.500 . 4.500 3.297 2.964 3.601 . 0 0 "[ . 1 . 2 ]" 1
1475 1 20 PRO QB 1 21 TRP HE3 3.500 . 3.500 2.670 2.085 2.984 . 0 0 "[ . 1 . 2 ]" 1
1476 1 20 PRO HA 1 21 TRP HE3 5.500 . 5.500 5.153 4.780 5.286 . 0 0 "[ . 1 . 2 ]" 1
1477 1 21 TRP HD1 1 22 HIS HA 4.500 . 4.500 3.639 2.901 4.045 . 0 0 "[ . 1 . 2 ]" 1
1478 1 24 PRO QG 1 25 ASP H 4.500 . 4.500 3.174 3.081 3.266 . 0 0 "[ . 1 . 2 ]" 1
1479 1 24 PRO QD 1 25 ASP H 5.500 . 5.500 2.417 2.301 2.578 . 0 0 "[ . 1 . 2 ]" 1
1480 1 27 LEU HG 1 28 HIS H 5.500 . 5.500 4.339 4.147 4.625 . 0 0 "[ . 1 . 2 ]" 1
1481 1 27 LEU QB 1 28 HIS HE1 5.500 . 5.500 4.685 4.197 4.871 . 0 0 "[ . 1 . 2 ]" 1
1482 1 27 LEU MD1 1 28 HIS HE1 5.500 . 5.500 5.356 4.721 5.501 0.001 4 0 "[ . 1 . 2 ]" 1
1483 1 27 LEU MD1 1 28 HIS H 5.500 . 5.500 4.243 4.014 4.466 . 0 0 "[ . 1 . 2 ]" 1
1484 1 29 TYR QD 1 30 PHE H 4.500 . 4.500 3.948 3.675 4.227 . 0 0 "[ . 1 . 2 ]" 1
1485 1 30 PHE QD 1 31 ARG HA 4.500 . 4.500 3.920 3.541 4.112 . 0 0 "[ . 1 . 2 ]" 1
1486 1 30 PHE HB3 1 31 ARG HB2 4.500 . 4.500 4.096 3.999 4.304 . 0 0 "[ . 1 . 2 ]" 1
1487 1 31 ARG QG 1 32 ALA H 4.500 . 4.500 3.673 3.190 4.268 . 0 0 "[ . 1 . 2 ]" 1
1488 1 31 ARG QD 1 32 ALA H 5.500 . 5.500 4.413 3.089 5.085 . 0 0 "[ . 1 . 2 ]" 1
1489 1 33 GLN H 1 34 THR HG1 5.000 . 5.000 4.032 3.879 4.205 . 0 0 "[ . 1 . 2 ]" 1
1490 1 33 GLN H 1 34 THR MG 5.500 . 5.500 4.270 4.031 4.427 . 0 0 "[ . 1 . 2 ]" 1
1491 1 34 THR H 1 35 VAL MG2 5.500 . 5.500 3.941 3.676 4.101 . 0 0 "[ . 1 . 2 ]" 1
1492 1 34 THR MG 1 35 VAL H 5.500 . 5.500 4.336 4.269 4.386 . 0 0 "[ . 1 . 2 ]" 1
1493 1 34 THR HG1 1 35 VAL H 4.500 . 4.500 3.953 3.495 4.293 . 0 0 "[ . 1 . 2 ]" 1
1494 1 35 VAL QG 1 36 GLY H 4.400 . 4.400 3.628 3.549 3.693 . 0 0 "[ . 1 . 2 ]" 1
1495 1 37 LYS QG 1 38 ILE H 4.500 . 4.500 3.760 3.559 4.017 . 0 0 "[ . 1 . 2 ]" 1
1496 1 40 VAL HA 1 41 VAL HA 5.000 . 5.000 4.455 4.441 4.469 . 0 0 "[ . 1 . 2 ]" 1
1497 1 41 VAL QG 1 42 GLY H 4.500 . 4.500 3.426 2.970 3.618 . 0 0 "[ . 1 . 2 ]" 1
1498 1 41 VAL HA 1 42 GLY QA 4.500 . 4.500 3.976 3.956 4.012 . 0 0 "[ . 1 . 2 ]" 1
1499 1 43 ARG QD 1 44 ARG HA 4.500 . 4.500 3.091 2.822 3.781 . 0 0 "[ . 1 . 2 ]" 1
1500 1 43 ARG HB3 1 44 ARG HG2 5.500 . 5.500 4.331 3.409 5.502 0.002 1 0 "[ . 1 . 2 ]" 1
1501 1 44 ARG H 1 45 THR HG1 5.500 . 5.500 5.029 4.369 5.334 . 0 0 "[ . 1 . 2 ]" 1
1502 1 45 THR MG 1 46 TYR H 4.500 . 4.500 3.585 3.262 3.803 . 0 0 "[ . 1 . 2 ]" 1
1503 1 49 PHE QD 1 50 PRO QD 4.500 . 4.500 1.750 1.557 1.937 . 0 0 "[ . 1 . 2 ]" 1
1504 1 49 PHE HA 1 50 PRO HD3 2.500 . 2.500 1.896 1.845 1.946 . 0 0 "[ . 1 . 2 ]" 1
1505 1 49 PHE HA 1 50 PRO HD2 3.500 . 3.500 2.917 2.679 3.097 . 0 0 "[ . 1 . 2 ]" 1
1506 1 50 PRO QG 1 51 LYS H 3.500 . 3.500 2.534 2.250 2.711 . 0 0 "[ . 1 . 2 ]" 1
1507 1 50 PRO QD 1 51 LYS H 4.500 . 4.500 2.107 1.961 2.317 . 0 0 "[ . 1 . 2 ]" 1
1508 1 52 ARG HB3 1 53 PRO HA 3.500 . 3.500 2.758 2.319 3.335 . 0 0 "[ . 1 . 2 ]" 1
1509 1 52 ARG HA 1 53 PRO HA 2.500 . 2.500 2.043 1.882 2.311 . 0 0 "[ . 1 . 2 ]" 1
1510 1 52 ARG HB2 1 53 PRO HA 4.500 . 4.500 3.262 2.086 4.009 . 0 0 "[ . 1 . 2 ]" 1
1511 1 52 ARG HG2 1 53 PRO HA 5.000 . 5.000 4.536 4.139 4.996 . 0 0 "[ . 1 . 2 ]" 1
1512 1 54 LEU HA 1 55 PRO HD3 2.500 . 2.500 2.042 1.907 2.403 . 0 0 "[ . 1 . 2 ]" 1
1513 1 54 LEU HA 1 55 PRO HD2 3.500 . 3.500 2.555 1.931 2.881 . 0 0 "[ . 1 . 2 ]" 1
1514 1 54 LEU MD1 1 55 PRO QD 5.500 . 5.500 4.175 3.551 4.692 . 0 0 "[ . 1 . 2 ]" 1
1515 1 54 LEU MD2 1 55 PRO QD 3.500 . 3.500 2.419 1.931 3.342 . 0 0 "[ . 1 . 2 ]" 1
1516 1 56 GLU HB2 1 57 ARG QG 5.000 . 5.000 4.395 3.202 4.994 . 0 0 "[ . 1 . 2 ]" 1
1517 1 57 ARG QG 1 58 THR H 5.500 . 5.500 3.680 3.479 4.005 . 0 0 "[ . 1 . 2 ]" 1
1518 1 58 THR MG 1 59 ASN H 3.500 . 3.500 2.783 2.525 3.022 . 0 0 "[ . 1 . 2 ]" 1
1519 1 58 THR HA 1 59 ASN QD 4.500 . 4.500 3.512 2.889 4.052 . 0 0 "[ . 1 . 2 ]" 1
1520 1 60 VAL MG1 1 61 VAL H 3.500 . 3.500 2.410 2.238 2.601 . 0 0 "[ . 1 . 2 ]" 1
1521 1 61 VAL MG1 1 62 LEU H 3.500 . 3.500 2.060 1.908 2.271 . 0 0 "[ . 1 . 2 ]" 1
1522 1 61 VAL MG2 1 62 LEU H 4.500 . 4.500 4.039 3.973 4.124 . 0 0 "[ . 1 . 2 ]" 1
1523 1 62 LEU MD1 1 63 THR H 5.500 . 5.500 4.067 3.238 4.461 . 0 0 "[ . 1 . 2 ]" 1
1524 1 62 LEU MD2 1 63 THR H 5.500 . 5.500 4.649 4.310 4.827 . 0 0 "[ . 1 . 2 ]" 1
1525 1 62 LEU HG 1 63 THR H 4.500 . 4.500 3.417 2.962 3.662 . 0 0 "[ . 1 . 2 ]" 1
1526 1 63 THR HG1 1 64 HIS H 4.500 . 4.500 2.349 1.930 3.142 . 0 0 "[ . 1 . 2 ]" 1
1527 1 63 THR MG 1 64 HIS H 5.500 . 5.500 3.561 3.379 3.873 . 0 0 "[ . 1 . 2 ]" 1
1528 1 65 GLN QG 1 66 GLU H 5.500 . 5.500 3.440 3.149 3.721 . 0 0 "[ . 1 . 2 ]" 1
1529 1 68 TYR QD 1 69 GLN H 4.500 . 4.500 3.860 3.682 4.056 . 0 0 "[ . 1 . 2 ]" 1
1530 1 68 TYR QD 1 69 GLN HA 5.500 . 5.500 4.490 4.077 4.794 . 0 0 "[ . 1 . 2 ]" 1
1531 1 68 TYR QE 1 69 GLN H 6.000 . 6.000 4.907 4.724 5.165 . 0 0 "[ . 1 . 2 ]" 1
1532 1 69 GLN QG 1 70 ALA H 5.500 . 5.500 4.568 4.393 4.768 . 0 0 "[ . 1 . 2 ]" 1
1533 1 71 GLN QG 1 72 GLY H 4.500 . 4.500 4.045 3.769 4.237 . 0 0 "[ . 1 . 2 ]" 1
1534 1 74 VAL MG1 1 75 VAL H 3.500 . 3.500 2.060 1.894 2.493 . 0 0 "[ . 1 . 2 ]" 1
1535 1 74 VAL MG2 1 75 VAL H 4.500 . 4.500 3.999 3.915 4.161 . 0 0 "[ . 1 . 2 ]" 1
1536 1 75 VAL MG1 1 76 VAL H 3.500 . 3.500 2.576 2.348 2.748 . 0 0 "[ . 1 . 2 ]" 1
1537 1 75 VAL MG2 1 76 VAL H 4.500 . 4.500 4.114 4.037 4.160 . 0 0 "[ . 1 . 2 ]" 1
1538 1 76 VAL MG1 1 77 HIS H 4.500 . 4.500 3.737 3.641 3.877 . 0 0 "[ . 1 . 2 ]" 1
1539 1 76 VAL MG2 1 77 HIS H 4.500 . 4.500 3.595 3.416 3.749 . 0 0 "[ . 1 . 2 ]" 1
1540 1 79 VAL MG1 1 80 ALA H 4.500 . 4.500 3.562 3.424 3.733 . 0 0 "[ . 1 . 2 ]" 1
1541 1 79 VAL MG2 1 80 ALA H 4.500 . 4.500 3.971 3.903 4.019 . 0 0 "[ . 1 . 2 ]" 1
1542 1 81 ALA H 1 82 VAL MG1 6.000 . 6.000 5.942 5.905 5.977 . 0 0 "[ . 1 . 2 ]" 1
1543 1 81 ALA H 1 82 VAL MG2 5.500 . 5.500 3.873 3.743 4.022 . 0 0 "[ . 1 . 2 ]" 1
1544 1 82 VAL MG1 1 83 PHE QD 5.000 . 5.000 4.816 4.597 5.039 0.039 8 0 "[ . 1 . 2 ]" 1
1545 1 83 PHE QD 1 84 ALA H 5.500 . 5.500 4.610 4.468 4.703 . 0 0 "[ . 1 . 2 ]" 1
1546 1 85 TYR QD 1 86 ALA HA 4.500 . 4.500 3.986 3.639 4.467 . 0 0 "[ . 1 . 2 ]" 1
1547 1 85 TYR QD 1 86 ALA H 4.500 . 4.500 3.878 3.659 4.050 . 0 0 "[ . 1 . 2 ]" 1
1548 1 87 LYS QG 1 88 GLN QE 5.500 . 5.500 5.145 3.571 5.503 0.003 7 0 "[ . 1 . 2 ]" 1
1549 1 87 LYS QB 1 88 GLN QE 5.500 . 5.500 3.470 2.333 4.251 . 0 0 "[ . 1 . 2 ]" 1
1550 1 88 GLN QG 1 89 HIS H 5.000 . 5.000 4.558 4.329 4.725 . 0 0 "[ . 1 . 2 ]" 1
1551 1 88 GLN QG 1 89 HIS HD2 5.500 . 5.500 4.825 4.137 5.269 . 0 0 "[ . 1 . 2 ]" 1
1552 1 89 HIS HA 1 90 PRO HD2 3.500 . 3.500 2.478 2.423 2.511 . 0 0 "[ . 1 . 2 ]" 1
1553 1 89 HIS HA 1 90 PRO HD3 3.500 . 3.500 1.915 1.882 1.964 . 0 0 "[ . 1 . 2 ]" 1
1554 1 90 PRO QG 1 91 ASP H 4.500 . 4.500 3.752 2.738 3.973 . 0 0 "[ . 1 . 2 ]" 1
1555 1 88 GLN QB 1 89 HIS HD2 4.000 . 4.000 2.928 2.545 3.313 . 0 0 "[ . 1 . 2 ]" 1
1556 1 90 PRO QD 1 91 ASP H 4.500 . 4.500 2.516 2.160 2.681 . 0 0 "[ . 1 . 2 ]" 1
1557 1 93 GLU QG 1 94 LEU H 4.000 . 4.000 3.529 3.188 3.896 . 0 0 "[ . 1 . 2 ]" 1
1558 1 94 LEU HG 1 95 VAL H 3.500 . 3.500 3.130 2.938 3.282 . 0 0 "[ . 1 . 2 ]" 1
1559 1 96 ILE HA 1 97 ALA HA 5.500 . 5.500 4.474 4.457 4.503 . 0 0 "[ . 1 . 2 ]" 1
1560 1 96 ILE MD 1 97 ALA H 5.500 . 5.500 3.654 3.419 3.925 . 0 0 "[ . 1 . 2 ]" 1
1561 1 96 ILE MG 1 97 ALA H 3.500 . 3.500 2.205 1.865 3.187 . 0 0 "[ . 1 . 2 ]" 1
1562 1 96 ILE QG 1 97 ALA H 5.500 . 5.500 4.592 4.516 4.932 . 0 0 "[ . 1 . 2 ]" 1
1563 1 101 GLN HB2 1 102 ILE MD 4.500 . 4.500 4.078 2.836 4.502 0.002 3 0 "[ . 1 . 2 ]" 1
1564 1 101 GLN HB3 1 102 ILE MD 4.500 . 4.500 2.918 2.609 3.451 . 0 0 "[ . 1 . 2 ]" 1
1565 1 101 GLN H 1 102 ILE MD 5.500 . 5.500 4.953 4.650 5.101 . 0 0 "[ . 1 . 2 ]" 1
1566 1 102 ILE MG 1 103 PHE H 4.500 . 4.500 3.874 3.812 4.048 . 0 0 "[ . 1 . 2 ]" 1
1567 1 104 THR MG 1 105 ALA H 4.500 . 4.500 3.591 1.837 3.771 . 0 0 "[ . 1 . 2 ]" 1
1568 1 105 ALA MB 1 106 PHE QD 3.500 . 3.500 2.722 2.417 3.024 . 0 0 "[ . 1 . 2 ]" 1
1569 1 105 ALA H 1 106 PHE QD 4.500 . 4.500 3.961 3.646 4.187 . 0 0 "[ . 1 . 2 ]" 1
1570 1 107 LYS QG 1 108 ASP H 3.500 . 3.500 1.959 1.701 2.182 . 0 0 "[ . 1 . 2 ]" 1
1571 1 109 ASP H 1 110 VAL MG2 5.500 . 5.500 3.392 3.244 3.504 . 0 0 "[ . 1 . 2 ]" 1
1572 1 110 VAL MG1 1 111 ASP H 3.500 . 3.500 2.111 1.793 2.737 . 0 0 "[ . 1 . 2 ]" 1
1573 1 112 THR MG 1 113 LEU H 3.500 . 3.500 2.484 1.980 2.793 . 0 0 "[ . 1 . 2 ]" 1
1574 1 112 THR HA 1 113 LEU HG 4.500 . 4.500 3.708 3.449 3.996 . 0 0 "[ . 1 . 2 ]" 1
1575 1 112 THR HA 1 113 LEU MD2 5.500 . 5.500 4.955 4.679 5.293 . 0 0 "[ . 1 . 2 ]" 1
1576 1 113 LEU MD2 1 114 LEU H 4.500 . 4.500 3.691 3.466 3.869 . 0 0 "[ . 1 . 2 ]" 1
1577 1 114 LEU HG 1 115 VAL H 5.500 . 5.500 4.860 4.735 5.052 . 0 0 "[ . 1 . 2 ]" 1
1578 1 114 LEU MD2 1 115 VAL H 4.500 . 4.500 4.180 4.010 4.406 . 0 0 "[ . 1 . 2 ]" 1
1579 1 114 LEU HA 1 115 VAL MG1 4.500 . 4.500 3.909 3.774 4.033 . 0 0 "[ . 1 . 2 ]" 1
1580 1 115 VAL MG2 1 116 THR H 3.500 . 3.500 2.312 2.089 2.448 . 0 0 "[ . 1 . 2 ]" 1
1581 1 115 VAL MG1 1 116 THR H 4.500 . 4.500 3.777 3.661 3.877 . 0 0 "[ . 1 . 2 ]" 1
1582 1 117 ARG H 1 118 LEU MD1 6.000 . 6.000 4.097 3.860 4.272 . 0 0 "[ . 1 . 2 ]" 1
1583 1 116 THR MG 1 117 ARG H 3.500 . 3.500 2.948 2.584 3.285 . 0 0 "[ . 1 . 2 ]" 1
1584 1 118 LEU MD2 1 119 ALA H 4.500 . 4.500 4.303 4.112 4.449 . 0 0 "[ . 1 . 2 ]" 1
1585 1 118 LEU HG 1 119 ALA H 4.500 . 4.500 3.939 3.583 4.177 . 0 0 "[ . 1 . 2 ]" 1
1586 1 118 LEU MD1 1 119 ALA H 5.500 . 5.500 4.663 4.434 4.780 . 0 0 "[ . 1 . 2 ]" 1
1587 1 121 SER HA 1 122 PHE QD 4.000 . 4.000 3.415 3.186 3.724 . 0 0 "[ . 1 . 2 ]" 1
1588 1 122 PHE QD 1 123 GLU H 4.500 . 4.500 4.085 3.941 4.248 . 0 0 "[ . 1 . 2 ]" 1
1589 1 123 GLU QG 1 124 GLY H 4.500 . 4.500 3.600 1.941 4.168 . 0 0 "[ . 1 . 2 ]" 1
1590 1 128 MET ME 1 129 ILE H 4.500 . 4.500 3.220 2.992 3.454 . 0 0 "[ . 1 . 2 ]" 1
1591 1 128 MET HG3 1 129 ILE H 4.500 . 4.500 3.973 3.709 4.139 . 0 0 "[ . 1 . 2 ]" 1
1592 1 128 MET ME 1 129 ILE QG 3.500 . 3.500 2.455 2.129 2.747 . 0 0 "[ . 1 . 2 ]" 1
1593 1 128 MET ME 1 129 ILE MD 3.500 . 3.500 3.013 2.669 3.298 . 0 0 "[ . 1 . 2 ]" 1
1594 1 131 LEU MD1 1 132 ASN H 5.500 . 5.500 4.531 4.342 4.692 . 0 0 "[ . 1 . 2 ]" 1
1595 1 131 LEU MD2 1 132 ASN H 3.500 . 3.500 2.537 2.096 2.883 . 0 0 "[ . 1 . 2 ]" 1
1596 1 132 ASN HA 1 133 TRP HD1 4.500 . 4.500 4.254 4.046 4.502 0.002 13 0 "[ . 1 . 2 ]" 1
1597 1 135 ASP HB3 1 136 PHE QE 4.000 . 4.000 3.065 2.455 3.572 . 0 0 "[ . 1 . 2 ]" 1
1598 1 135 ASP HB2 1 136 PHE QE 5.000 . 5.000 3.845 3.225 4.552 . 0 0 "[ . 1 . 2 ]" 1
1599 1 135 ASP HB3 1 136 PHE QD 3.500 . 3.500 2.853 2.331 3.324 . 0 0 "[ . 1 . 2 ]" 1
1600 1 135 ASP H 1 136 PHE QD 4.500 . 4.500 3.147 2.798 3.521 . 0 0 "[ . 1 . 2 ]" 1
1601 1 136 PHE QD 1 137 THR H 4.500 . 4.500 3.716 3.427 3.973 . 0 0 "[ . 1 . 2 ]" 1
1602 1 137 THR MG 1 138 LYS HB3 4.500 . 4.500 4.130 3.917 4.352 . 0 0 "[ . 1 . 2 ]" 1
1603 1 137 THR MG 1 138 LYS H 3.500 . 3.500 2.535 2.317 2.727 . 0 0 "[ . 1 . 2 ]" 1
1604 1 138 LYS HG3 1 139 VAL H 5.500 . 5.500 4.489 4.193 4.671 . 0 0 "[ . 1 . 2 ]" 1
1605 1 142 ARG QG 1 143 THR H 5.500 . 5.500 2.632 2.321 2.901 . 0 0 "[ . 1 . 2 ]" 1
1606 1 144 VAL QG 1 145 GLU H 3.500 . 3.500 2.533 2.351 2.827 . 0 0 "[ . 1 . 2 ]" 1
1607 1 145 GLU QG 1 146 ASP H 4.500 . 4.500 3.733 3.114 4.389 . 0 0 "[ . 1 . 2 ]" 1
1608 1 147 THR MG 1 148 ASN H 4.500 . 4.500 4.189 4.090 4.244 . 0 0 "[ . 1 . 2 ]" 1
1609 1 148 ASN HA 1 149 PRO QG 4.500 . 4.500 3.808 3.794 3.856 . 0 0 "[ . 1 . 2 ]" 1
1610 1 148 ASN HA 1 149 PRO QD 2.500 . 2.500 1.880 1.861 1.942 . 0 0 "[ . 1 . 2 ]" 1
1611 1 148 ASN QD 1 149 PRO QD 5.500 . 5.500 2.942 1.966 3.699 . 0 0 "[ . 1 . 2 ]" 1
1612 1 149 PRO QG 1 150 ALA H 4.500 . 4.500 3.066 2.831 3.263 . 0 0 "[ . 1 . 2 ]" 1
1613 1 149 PRO QD 1 150 ALA H 4.500 . 4.500 3.136 2.998 3.209 . 0 0 "[ . 1 . 2 ]" 1
1614 1 150 ALA H 1 151 LEU HG 4.500 . 4.500 4.140 3.995 4.373 . 0 0 "[ . 1 . 2 ]" 1
1615 1 150 ALA H 1 151 LEU QD 6.500 . 6.500 4.574 4.480 4.735 . 0 0 "[ . 1 . 2 ]" 1
1616 1 151 LEU MD1 1 152 THR H 5.500 . 5.500 5.231 5.146 5.315 . 0 0 "[ . 1 . 2 ]" 1
1617 1 151 LEU MD2 1 152 THR H 5.500 . 5.500 4.638 4.553 4.718 . 0 0 "[ . 1 . 2 ]" 1
1618 1 152 THR MG 1 153 HIS HA 4.500 . 4.500 3.663 3.453 3.860 . 0 0 "[ . 1 . 2 ]" 1
1619 1 152 THR HA 1 153 HIS HA 5.500 . 5.500 4.550 4.517 4.584 . 0 0 "[ . 1 . 2 ]" 1
1620 1 152 THR HA 1 153 HIS HE1 5.500 . 5.500 4.265 4.126 4.461 . 0 0 "[ . 1 . 2 ]" 1
1621 1 152 THR MG 1 153 HIS H 2.500 . 2.500 2.080 1.941 2.336 . 0 0 "[ . 1 . 2 ]" 1
1622 1 153 HIS HA 1 154 THR MG 5.500 . 5.500 5.361 5.320 5.408 . 0 0 "[ . 1 . 2 ]" 1
1623 1 153 HIS HA 1 154 THR HB 5.500 . 5.500 4.756 4.622 4.847 . 0 0 "[ . 1 . 2 ]" 1
1624 1 154 THR MG 1 155 TYR H 3.500 . 3.500 2.074 1.912 2.370 . 0 0 "[ . 1 . 2 ]" 1
1625 1 155 TYR QD 1 156 GLU H 4.500 . 4.500 4.185 4.020 4.478 . 0 0 "[ . 1 . 2 ]" 1
1626 1 156 GLU QG 1 157 VAL H 4.500 . 4.500 4.178 3.837 4.455 . 0 0 "[ . 1 . 2 ]" 1
1627 1 157 VAL QG 1 158 TRP H 3.500 . 3.500 2.627 2.460 2.816 . 0 0 "[ . 1 . 2 ]" 1
1628 1 157 VAL HA 1 158 TRP HD1 3.500 . 3.500 2.967 2.844 3.132 . 0 0 "[ . 1 . 2 ]" 1
1629 1 158 TRP HE3 1 159 GLN H 5.500 . 5.500 3.975 3.783 4.182 . 0 0 "[ . 1 . 2 ]" 1
1630 1 159 GLN QG 1 160 LYS H 5.500 . 5.500 4.003 3.675 4.448 . 0 0 "[ . 1 . 2 ]" 1
1631 1 160 LYS QG 1 161 LYS H 3.500 . 3.500 2.617 2.367 2.958 . 0 0 "[ . 1 . 2 ]" 1
1632 1 161 LYS QD 1 162 ALA H 4.500 . 4.500 3.737 3.098 4.496 . 0 0 "[ . 1 . 2 ]" 1
1633 1 161 LYS QG 1 162 ALA H 4.500 . 4.500 4.210 3.466 4.469 . 0 0 "[ . 1 . 2 ]" 1
1634 1 56 GLU H 1 56 GLU HA 2.500 . 2.500 2.352 2.345 2.358 . 0 0 "[ . 1 . 2 ]" 1
1635 1 3 PHE H 1 3 PHE HB2 3.500 . 3.500 2.338 2.313 2.447 . 0 0 "[ . 1 . 2 ]" 1
1636 1 4 LEU H 1 4 LEU HB3 3.500 . 3.500 2.645 2.592 2.694 . 0 0 "[ . 1 . 2 ]" 1
1637 1 6 ALA H 1 6 ALA MB 3.500 . 3.500 2.362 2.172 2.569 . 0 0 "[ . 1 . 2 ]" 1
1638 1 7 GLN H 1 7 GLN HB3 3.500 . 3.500 3.254 2.898 3.460 . 0 0 "[ . 1 . 2 ]" 1
1639 1 8 ASP H 1 8 ASP HB3 3.500 . 3.500 2.744 2.598 2.826 . 0 0 "[ . 1 . 2 ]" 1
1640 1 9 ARG H 1 9 ARG HB3 3.500 . 3.500 2.643 2.578 2.727 . 0 0 "[ . 1 . 2 ]" 1
1641 1 10 ASP H 1 10 ASP HB2 3.500 . 3.500 2.179 2.102 2.304 . 0 0 "[ . 1 . 2 ]" 1
1642 1 12 LEU H 1 12 LEU HB3 3.500 . 3.500 2.564 2.409 2.745 . 0 0 "[ . 1 . 2 ]" 1
1643 1 12 LEU H 1 12 LEU HB2 3.500 . 3.500 2.685 2.425 3.005 . 0 0 "[ . 1 . 2 ]" 1
1644 1 15 LYS H 1 15 LYS HB3 3.500 . 3.500 2.821 2.533 3.076 . 0 0 "[ . 1 . 2 ]" 1
1645 1 15 LYS H 1 15 LYS HB2 3.500 . 3.500 2.994 2.877 3.112 . 0 0 "[ . 1 . 2 ]" 1
1646 1 18 HIS H 1 18 HIS HB3 3.500 . 3.500 2.612 2.567 2.723 . 0 0 "[ . 1 . 2 ]" 1
1647 1 19 LEU H 1 19 LEU HB2 3.500 . 3.500 2.343 2.195 2.449 . 0 0 "[ . 1 . 2 ]" 1
1648 1 25 ASP H 1 25 ASP QB 3.500 . 3.500 2.160 2.118 2.234 . 0 0 "[ . 1 . 2 ]" 1
1649 1 26 ASP H 1 26 ASP HB2 3.500 . 3.500 2.788 2.653 2.855 . 0 0 "[ . 1 . 2 ]" 1
1650 1 26 ASP H 1 26 ASP HB3 3.500 . 3.500 2.392 2.350 2.457 . 0 0 "[ . 1 . 2 ]" 1
1651 1 27 LEU H 1 27 LEU HB2 3.500 . 3.500 2.499 2.280 2.619 . 0 0 "[ . 1 . 2 ]" 1
1652 1 28 HIS H 1 28 HIS HB2 3.000 . 3.000 2.514 2.470 2.564 . 0 0 "[ . 1 . 2 ]" 1
1653 1 29 TYR H 1 29 TYR HB3 3.500 . 3.500 2.656 2.571 2.732 . 0 0 "[ . 1 . 2 ]" 1
1654 1 30 PHE H 1 30 PHE HB3 3.500 . 3.500 2.503 2.380 2.602 . 0 0 "[ . 1 . 2 ]" 1
1655 1 31 ARG H 1 31 ARG HB3 3.500 . 3.500 2.737 2.321 3.061 . 0 0 "[ . 1 . 2 ]" 1
1656 1 32 ALA H 1 32 ALA MB 2.500 . 2.500 2.136 2.047 2.260 . 0 0 "[ . 1 . 2 ]" 1
1657 1 33 GLN H 1 33 GLN HB3 4.000 . 4.000 3.560 3.482 3.596 . 0 0 "[ . 1 . 2 ]" 1
1658 1 33 GLN H 1 33 GLN HB2 3.000 . 3.000 2.275 2.151 2.365 . 0 0 "[ . 1 . 2 ]" 1
1659 1 37 LYS H 1 37 LYS HB2 3.500 . 3.500 2.537 2.448 2.719 . 0 0 "[ . 1 . 2 ]" 1
1660 1 38 ILE H 1 38 ILE HB 3.500 . 3.500 2.545 2.394 2.625 . 0 0 "[ . 1 . 2 ]" 1
1661 1 39 MET H 1 39 MET HB2 3.500 . 3.500 2.756 2.541 2.910 . 0 0 "[ . 1 . 2 ]" 1
1662 1 43 ARG H 1 43 ARG QB 3.000 . 3.000 2.238 2.169 2.268 . 0 0 "[ . 1 . 2 ]" 1
1663 1 44 ARG H 1 44 ARG QB 2.500 . 2.500 2.191 2.080 2.342 . 0 0 "[ . 1 . 2 ]" 1
1664 1 45 THR H 1 45 THR HB 3.500 . 3.500 2.693 2.382 2.800 . 0 0 "[ . 1 . 2 ]" 1
1665 1 46 TYR H 1 46 TYR HB2 3.500 . 3.500 2.401 2.200 2.591 . 0 0 "[ . 1 . 2 ]" 1
1666 1 47 GLU H 1 47 GLU HB2 3.500 . 3.500 2.214 2.153 2.330 . 0 0 "[ . 1 . 2 ]" 1
1667 1 47 GLU H 1 47 GLU HB3 4.000 . 4.000 3.528 3.481 3.591 . 0 0 "[ . 1 . 2 ]" 1
1668 1 48 SER H 1 48 SER QB 3.500 . 3.500 2.422 2.211 2.825 . 0 0 "[ . 1 . 2 ]" 1
1669 1 49 PHE H 1 49 PHE QB 3.500 . 3.500 2.133 2.082 2.178 . 0 0 "[ . 1 . 2 ]" 1
1670 1 51 LYS H 1 51 LYS QB 3.500 . 3.500 2.549 2.327 3.032 . 0 0 "[ . 1 . 2 ]" 1
1671 1 52 ARG H 1 52 ARG QB 3.500 . 3.500 2.913 2.584 3.325 . 0 0 "[ . 1 . 2 ]" 1
1672 1 54 LEU H 1 54 LEU HB2 3.500 . 3.500 2.408 2.291 2.536 . 0 0 "[ . 1 . 2 ]" 1
1673 1 56 GLU H 1 56 GLU HB2 4.000 . 4.000 3.299 3.141 3.585 . 0 0 "[ . 1 . 2 ]" 1
1674 1 58 THR H 1 58 THR HB 3.500 . 3.500 2.707 2.635 2.800 . 0 0 "[ . 1 . 2 ]" 1
1675 1 60 VAL H 1 60 VAL HB 3.500 . 3.500 2.686 2.639 2.742 . 0 0 "[ . 1 . 2 ]" 1
1676 1 61 VAL H 1 61 VAL HB 3.500 . 3.500 2.650 2.600 2.736 . 0 0 "[ . 1 . 2 ]" 1
1677 1 62 LEU H 1 62 LEU QB 3.500 . 3.500 2.413 2.373 2.495 . 0 0 "[ . 1 . 2 ]" 1
1678 1 64 HIS H 1 64 HIS QB 3.500 . 3.500 2.225 2.160 2.331 . 0 0 "[ . 1 . 2 ]" 1
1679 1 65 GLN H 1 65 GLN QB 3.500 . 3.500 2.239 2.158 2.351 . 0 0 "[ . 1 . 2 ]" 1
1680 1 66 GLU H 1 66 GLU QB 3.000 . 3.000 2.497 2.316 3.002 0.002 21 0 "[ . 1 . 2 ]" 1
1681 1 67 ASP H 1 67 ASP HB2 3.500 . 3.500 2.424 2.286 2.677 . 0 0 "[ . 1 . 2 ]" 1
1682 1 68 TYR H 1 68 TYR HB3 3.500 . 3.500 2.872 2.783 2.943 . 0 0 "[ . 1 . 2 ]" 1
1683 1 69 GLN H 1 69 GLN QB 3.500 . 3.500 2.457 2.315 2.599 . 0 0 "[ . 1 . 2 ]" 1
1684 1 70 ALA H 1 70 ALA MB 3.500 . 3.500 2.583 2.473 2.647 . 0 0 "[ . 1 . 2 ]" 1
1685 1 71 GLN H 1 71 GLN QB 2.500 . 2.500 2.331 2.176 2.456 . 0 0 "[ . 1 . 2 ]" 1
1686 1 73 ALA H 1 73 ALA MB 3.500 . 3.500 2.319 2.205 2.456 . 0 0 "[ . 1 . 2 ]" 1
1687 1 74 VAL H 1 74 VAL HB 3.000 . 3.000 2.655 2.590 2.751 . 0 0 "[ . 1 . 2 ]" 1
1688 1 75 VAL H 1 75 VAL HB 3.500 . 3.500 2.792 2.576 2.886 . 0 0 "[ . 1 . 2 ]" 1
1689 1 77 HIS H 1 77 HIS HB2 4.000 . 4.000 2.933 2.781 3.054 . 0 0 "[ . 1 . 2 ]" 1
1690 1 79 VAL H 1 79 VAL HB 3.500 . 3.500 2.610 2.555 2.688 . 0 0 "[ . 1 . 2 ]" 1
1691 1 80 ALA H 1 80 ALA MB 2.500 . 2.500 2.126 2.041 2.254 . 0 0 "[ . 1 . 2 ]" 1
1692 1 81 ALA H 1 81 ALA MB 2.500 . 2.500 2.139 2.043 2.247 . 0 0 "[ . 1 . 2 ]" 1
1693 1 82 VAL H 1 82 VAL HB 3.500 . 3.500 2.765 2.672 2.883 . 0 0 "[ . 1 . 2 ]" 1
1694 1 83 PHE H 1 83 PHE HB3 4.000 . 4.000 3.540 3.511 3.597 . 0 0 "[ . 1 . 2 ]" 1
1695 1 83 PHE H 1 83 PHE HB2 3.500 . 3.500 2.230 2.178 2.324 . 0 0 "[ . 1 . 2 ]" 1
1696 1 84 ALA H 1 84 ALA MB 2.500 . 2.500 2.138 2.045 2.264 . 0 0 "[ . 1 . 2 ]" 1
1697 1 85 TYR H 1 85 TYR HB2 2.500 . 2.500 2.247 2.165 2.362 . 0 0 "[ . 1 . 2 ]" 1
1698 1 86 ALA H 1 86 ALA MB 2.500 . 2.500 2.144 2.039 2.254 . 0 0 "[ . 1 . 2 ]" 1
1699 1 87 LYS H 1 87 LYS QB 2.500 . 2.500 2.106 2.059 2.238 . 0 0 "[ . 1 . 2 ]" 1
1700 1 88 GLN H 1 88 GLN QB 2.500 . 2.500 2.158 2.123 2.265 . 0 0 "[ . 1 . 2 ]" 1
1701 1 89 HIS H 1 89 HIS HB2 3.500 . 3.500 2.213 2.169 2.421 . 0 0 "[ . 1 . 2 ]" 1
1702 1 91 ASP H 1 91 ASP QB 3.500 . 3.500 2.589 2.170 2.714 . 0 0 "[ . 1 . 2 ]" 1
1703 1 92 GLN H 1 92 GLN HB3 3.500 . 3.500 3.210 2.982 3.379 . 0 0 "[ . 1 . 2 ]" 1
1704 1 94 LEU H 1 94 LEU QB 3.500 . 3.500 2.375 2.327 2.422 . 0 0 "[ . 1 . 2 ]" 1
1705 1 95 VAL H 1 95 VAL HB 3.500 . 3.500 2.680 2.617 2.779 . 0 0 "[ . 1 . 2 ]" 1
1706 1 96 ILE H 1 96 ILE HB 3.500 . 3.500 2.621 2.550 2.724 . 0 0 "[ . 1 . 2 ]" 1
1707 1 97 ALA H 1 97 ALA MB 3.000 . 3.000 2.453 2.130 2.557 . 0 0 "[ . 1 . 2 ]" 1
1708 1 100 ALA H 1 100 ALA MB 2.500 . 2.500 2.130 2.047 2.251 . 0 0 "[ . 1 . 2 ]" 1
1709 1 101 GLN H 1 101 GLN HB3 3.500 . 3.500 3.292 2.832 3.557 0.057 5 0 "[ . 1 . 2 ]" 1
1710 1 101 GLN H 1 101 GLN HB2 3.500 . 3.500 2.158 2.092 2.654 . 0 0 "[ . 1 . 2 ]" 1
1711 1 102 ILE H 1 102 ILE HB 3.000 . 3.000 2.581 2.531 2.731 . 0 0 "[ . 1 . 2 ]" 1
1712 1 103 PHE H 1 103 PHE HB2 3.500 . 3.500 2.396 2.332 2.454 . 0 0 "[ . 1 . 2 ]" 1
1713 1 103 PHE H 1 103 PHE HB3 4.000 . 4.000 3.610 3.590 3.632 . 0 0 "[ . 1 . 2 ]" 1
1714 1 104 THR H 1 104 THR HB 3.000 . 3.000 2.748 2.313 2.840 . 0 0 "[ . 1 . 2 ]" 1
1715 1 105 ALA H 1 105 ALA MB 2.500 . 2.500 2.149 2.046 2.262 . 0 0 "[ . 1 . 2 ]" 1
1716 1 106 PHE H 1 106 PHE HB2 3.000 . 3.000 2.363 2.288 2.442 . 0 0 "[ . 1 . 2 ]" 1
1717 1 107 LYS H 1 107 LYS HB3 3.500 . 3.500 2.437 2.198 2.859 . 0 0 "[ . 1 . 2 ]" 1
1718 1 107 LYS H 1 107 LYS HB2 4.000 . 4.000 3.617 3.517 3.676 . 0 0 "[ . 1 . 2 ]" 1
1719 1 108 ASP H 1 108 ASP HB3 3.000 . 3.000 2.898 2.801 2.982 . 0 0 "[ . 1 . 2 ]" 1
1720 1 108 ASP H 1 108 ASP HB2 3.500 . 3.500 2.231 2.161 2.302 . 0 0 "[ . 1 . 2 ]" 1
1721 1 109 ASP H 1 109 ASP HB2 3.500 . 3.500 2.342 2.209 2.463 . 0 0 "[ . 1 . 2 ]" 1
1722 1 110 VAL H 1 110 VAL HB 3.500 . 3.500 2.759 2.671 2.877 . 0 0 "[ . 1 . 2 ]" 1
1723 1 111 ASP H 1 111 ASP HB2 3.500 . 3.500 2.594 2.342 2.950 . 0 0 "[ . 1 . 2 ]" 1
1724 1 112 THR H 1 112 THR HB 3.500 . 3.500 2.948 2.872 3.033 . 0 0 "[ . 1 . 2 ]" 1
1725 1 114 LEU H 1 114 LEU HB2 3.500 . 3.500 2.704 2.587 2.816 . 0 0 "[ . 1 . 2 ]" 1
1726 1 116 THR H 1 116 THR HB 3.500 . 3.500 2.834 2.674 2.970 . 0 0 "[ . 1 . 2 ]" 1
1727 1 117 ARG H 1 117 ARG HB2 3.500 . 3.500 2.377 2.208 2.581 . 0 0 "[ . 1 . 2 ]" 1
1728 1 118 LEU H 1 118 LEU HB2 3.500 . 3.500 2.361 2.229 2.451 . 0 0 "[ . 1 . 2 ]" 1
1729 1 119 ALA H 1 119 ALA MB 3.500 . 3.500 2.199 2.092 2.288 . 0 0 "[ . 1 . 2 ]" 1
1730 1 123 GLU H 1 123 GLU QB 3.500 . 3.500 2.763 2.318 3.067 . 0 0 "[ . 1 . 2 ]" 1
1731 1 126 THR H 1 126 THR HB 3.500 . 3.500 2.790 2.688 2.946 . 0 0 "[ . 1 . 2 ]" 1
1732 1 127 LYS H 1 127 LYS HB2 3.500 . 3.500 2.619 2.490 2.737 . 0 0 "[ . 1 . 2 ]" 1
1733 1 128 MET H 1 128 MET HB3 3.500 . 3.500 2.958 2.853 3.025 . 0 0 "[ . 1 . 2 ]" 1
1734 1 128 MET H 1 128 MET HB2 3.500 . 3.500 2.206 2.155 2.301 . 0 0 "[ . 1 . 2 ]" 1
1735 1 131 LEU H 1 131 LEU HB2 3.500 . 3.500 2.236 2.188 2.295 . 0 0 "[ . 1 . 2 ]" 1
1736 1 132 ASN H 1 132 ASN HB2 3.500 . 3.500 2.336 2.189 2.569 . 0 0 "[ . 1 . 2 ]" 1
1737 1 132 ASN H 1 132 ASN HB3 3.500 . 3.500 3.055 2.727 3.439 . 0 0 "[ . 1 . 2 ]" 1
1738 1 133 TRP H 1 133 TRP HB2 3.500 . 3.500 2.687 2.622 2.747 . 0 0 "[ . 1 . 2 ]" 1
1739 1 134 ASP H 1 134 ASP HB3 3.500 . 3.500 3.160 2.905 3.449 . 0 0 "[ . 1 . 2 ]" 1
1740 1 134 ASP H 1 134 ASP HB2 3.500 . 3.500 2.139 2.085 2.264 . 0 0 "[ . 1 . 2 ]" 1
1741 1 135 ASP H 1 135 ASP HB2 3.500 . 3.500 2.278 2.164 2.576 . 0 0 "[ . 1 . 2 ]" 1
1742 1 136 PHE H 1 136 PHE HB2 3.500 . 3.500 2.529 2.472 2.582 . 0 0 "[ . 1 . 2 ]" 1
1743 1 137 THR H 1 137 THR HB 3.500 . 3.500 2.909 2.828 2.961 . 0 0 "[ . 1 . 2 ]" 1
1744 1 138 LYS H 1 138 LYS HB3 3.500 . 3.500 2.690 2.484 2.984 . 0 0 "[ . 1 . 2 ]" 1
1745 1 138 LYS H 1 138 LYS HB2 3.500 . 3.500 2.428 2.190 2.630 . 0 0 "[ . 1 . 2 ]" 1
1746 1 141 SER H 1 141 SER HB2 3.500 . 3.500 3.200 2.779 3.543 0.043 3 0 "[ . 1 . 2 ]" 1
1747 1 142 ARG H 1 142 ARG QB 3.500 . 3.500 2.592 2.528 2.631 . 0 0 "[ . 1 . 2 ]" 1
1748 1 143 THR H 1 143 THR HB 3.500 . 3.500 2.723 2.659 2.806 . 0 0 "[ . 1 . 2 ]" 1
1749 1 144 VAL H 1 144 VAL HB 3.500 . 3.500 3.076 2.545 3.214 . 0 0 "[ . 1 . 2 ]" 1
1750 1 145 GLU H 1 145 GLU QB 3.500 . 3.500 2.432 2.132 2.763 . 0 0 "[ . 1 . 2 ]" 1
1751 1 146 ASP H 1 146 ASP HB3 3.500 . 3.500 3.248 2.908 3.399 . 0 0 "[ . 1 . 2 ]" 1
1752 1 146 ASP H 1 146 ASP HB2 3.500 . 3.500 2.749 2.196 2.880 . 0 0 "[ . 1 . 2 ]" 1
1753 1 148 ASN H 1 148 ASN HB3 3.500 . 3.500 2.988 2.746 3.391 . 0 0 "[ . 1 . 2 ]" 1
1754 1 148 ASN H 1 148 ASN HB2 3.500 . 3.500 2.544 2.201 2.766 . 0 0 "[ . 1 . 2 ]" 1
1755 1 150 ALA H 1 150 ALA MB 2.500 . 2.500 2.204 2.077 2.268 . 0 0 "[ . 1 . 2 ]" 1
1756 1 151 LEU H 1 151 LEU HB2 3.500 . 3.500 2.474 2.381 2.551 . 0 0 "[ . 1 . 2 ]" 1
1757 1 152 THR H 1 152 THR HB 3.500 . 3.500 2.634 2.482 2.740 . 0 0 "[ . 1 . 2 ]" 1
1758 1 154 THR H 1 154 THR HB 3.500 . 3.500 2.829 2.741 2.890 . 0 0 "[ . 1 . 2 ]" 1
1759 1 155 TYR H 1 155 TYR HB2 3.500 . 3.500 2.561 2.479 2.644 . 0 0 "[ . 1 . 2 ]" 1
1760 1 160 LYS H 1 160 LYS HB3 3.500 . 3.500 2.713 2.490 2.832 . 0 0 "[ . 1 . 2 ]" 1
1761 1 160 LYS H 1 160 LYS HB2 3.500 . 3.500 2.410 2.310 2.592 . 0 0 "[ . 1 . 2 ]" 1
1762 1 162 ALA H 1 162 ALA MB 3.500 . 3.500 2.530 2.172 2.769 . 0 0 "[ . 1 . 2 ]" 1
1763 1 2 ALA HA 1 2 ALA MB 2.500 . 2.500 2.145 2.120 2.152 . 0 0 "[ . 1 . 2 ]" 1
1764 1 4 LEU HA 1 4 LEU HB2 2.500 . 2.500 2.421 2.381 2.454 . 0 0 "[ . 1 . 2 ]" 1
1765 1 80 ALA HA 1 80 ALA MB 2.500 . 2.500 2.126 2.108 2.152 . 0 0 "[ . 1 . 2 ]" 1
1766 1 3 PHE HA 1 3 PHE QD 3.000 . 3.000 2.198 1.729 2.717 . 0 0 "[ . 1 . 2 ]" 1
1767 1 3 PHE H 1 3 PHE QD 4.500 . 4.500 3.089 2.613 3.763 . 0 0 "[ . 1 . 2 ]" 1
1768 1 4 LEU HA 1 4 LEU HG 3.500 . 3.500 3.218 3.043 3.414 . 0 0 "[ . 1 . 2 ]" 1
1769 1 4 LEU H 1 4 LEU MD1 5.500 . 5.500 4.288 4.171 4.379 . 0 0 "[ . 1 . 2 ]" 1
1770 1 4 LEU HA 1 4 LEU MD1 3.500 . 3.500 2.008 1.855 2.212 . 0 0 "[ . 1 . 2 ]" 1
1771 1 4 LEU HA 1 4 LEU MD2 4.500 . 4.500 3.817 3.663 3.875 . 0 0 "[ . 1 . 2 ]" 1
1772 1 5 TRP HB2 1 5 TRP HD1 3.500 . 3.500 2.558 2.527 2.583 . 0 0 "[ . 1 . 2 ]" 1
1773 1 5 TRP H 1 5 TRP HE3 3.500 . 3.500 2.159 1.988 2.466 . 0 0 "[ . 1 . 2 ]" 1
1774 1 5 TRP HA 1 5 TRP HE3 4.500 . 4.500 4.237 4.065 4.353 . 0 0 "[ . 1 . 2 ]" 1
1775 1 7 GLN HA 1 7 GLN HG2 4.500 . 4.500 3.901 3.675 4.163 . 0 0 "[ . 1 . 2 ]" 1
1776 1 7 GLN H 1 7 GLN QG 3.500 . 3.500 2.097 1.931 2.275 . 0 0 "[ . 1 . 2 ]" 1
1777 1 7 GLN QB 1 7 GLN QE 3.500 . 3.500 2.824 1.979 3.232 . 0 0 "[ . 1 . 2 ]" 1
1778 1 7 GLN HA 1 7 GLN HG3 4.500 . 4.500 3.571 3.499 3.749 . 0 0 "[ . 1 . 2 ]" 1
1779 1 9 ARG H 1 9 ARG QG 3.500 . 3.500 1.988 1.895 2.141 . 0 0 "[ . 1 . 2 ]" 1
1780 1 9 ARG H 1 9 ARG QD 4.500 . 4.500 3.821 3.720 3.971 . 0 0 "[ . 1 . 2 ]" 1
1781 1 12 LEU H 1 12 LEU MD2 4.500 . 4.500 4.305 4.123 4.378 . 0 0 "[ . 1 . 2 ]" 1
1782 1 13 ILE HA 1 13 ILE MG 3.500 . 3.500 2.069 1.981 2.260 . 0 0 "[ . 1 . 2 ]" 1
1783 1 13 ILE HB 1 13 ILE MD 3.500 . 3.500 1.990 1.902 2.168 . 0 0 "[ . 1 . 2 ]" 1
1784 1 13 ILE H 1 13 ILE QG 3.500 . 3.500 1.931 1.788 2.148 . 0 0 "[ . 1 . 2 ]" 1
1785 1 13 ILE HB 1 13 ILE MG 2.500 . 2.500 2.115 2.099 2.125 . 0 0 "[ . 1 . 2 ]" 1
1786 1 13 ILE H 1 13 ILE MG 3.500 . 3.500 3.311 3.183 3.452 . 0 0 "[ . 1 . 2 ]" 1
1787 1 13 ILE HA 1 13 ILE MD 4.500 . 4.500 4.036 3.874 4.111 . 0 0 "[ . 1 . 2 ]" 1
1788 1 13 ILE H 1 13 ILE MD 4.500 . 4.500 3.686 3.529 3.884 . 0 0 "[ . 1 . 2 ]" 1
1789 1 18 HIS H 1 18 HIS HD2 4.500 . 4.500 2.351 2.000 2.789 . 0 0 "[ . 1 . 2 ]" 1
1790 1 19 LEU H 1 19 LEU MD1 5.500 . 5.500 3.474 2.940 3.904 . 0 0 "[ . 1 . 2 ]" 1
1791 1 19 LEU H 1 19 LEU HG 3.500 . 3.500 3.028 2.303 3.481 . 0 0 "[ . 1 . 2 ]" 1
1792 1 19 LEU HB2 1 19 LEU MD2 3.500 . 3.500 3.140 3.084 3.188 . 0 0 "[ . 1 . 2 ]" 1
1793 1 19 LEU H 1 19 LEU MD2 5.500 . 5.500 4.154 3.767 4.386 . 0 0 "[ . 1 . 2 ]" 1
1794 1 21 TRP HB2 1 21 TRP HE1 5.500 . 5.500 4.813 4.791 4.825 . 0 0 "[ . 1 . 2 ]" 1
1795 1 21 TRP HB3 1 21 TRP HE3 3.500 . 3.500 2.537 2.496 2.588 . 0 0 "[ . 1 . 2 ]" 1
1796 1 21 TRP H 1 21 TRP HD1 5.500 . 5.500 3.872 3.775 4.069 . 0 0 "[ . 1 . 2 ]" 1
1797 1 21 TRP H 1 21 TRP HE3 5.500 . 5.500 3.156 2.830 3.321 . 0 0 "[ . 1 . 2 ]" 1
1798 1 21 TRP HA 1 21 TRP HE3 5.500 . 5.500 4.401 4.332 4.448 . 0 0 "[ . 1 . 2 ]" 1
1799 1 27 LEU HA 1 27 LEU MD2 3.500 . 3.500 2.221 2.008 2.506 . 0 0 "[ . 1 . 2 ]" 1
1800 1 27 LEU H 1 27 LEU MD2 4.500 . 4.500 3.632 3.171 3.960 . 0 0 "[ . 1 . 2 ]" 1
1801 1 27 LEU H 1 27 LEU HG 3.000 . 3.000 2.167 1.916 2.686 . 0 0 "[ . 1 . 2 ]" 1
1802 1 27 LEU H 1 27 LEU MD1 4.500 . 4.500 3.214 3.051 3.451 . 0 0 "[ . 1 . 2 ]" 1
1803 1 28 HIS HB2 1 28 HIS HD2 3.500 . 3.500 2.767 2.752 2.848 . 0 0 "[ . 1 . 2 ]" 1
1804 1 29 TYR HB3 1 29 TYR QD 3.500 . 3.500 2.324 2.300 2.351 . 0 0 "[ . 1 . 2 ]" 1
1805 1 29 TYR HA 1 29 TYR QD 3.500 . 3.500 2.493 2.216 2.663 . 0 0 "[ . 1 . 2 ]" 1
1806 1 29 TYR HB2 1 29 TYR QD 3.500 . 3.500 2.550 2.491 2.647 . 0 0 "[ . 1 . 2 ]" 1
1807 1 29 TYR H 1 29 TYR QD 4.500 . 4.500 4.165 4.113 4.203 . 0 0 "[ . 1 . 2 ]" 1
1808 1 30 PHE H 1 30 PHE QD 4.500 . 4.500 4.196 4.178 4.206 . 0 0 "[ . 1 . 2 ]" 1
1809 1 31 ARG H 1 31 ARG QG 4.500 . 4.500 3.909 3.689 4.011 . 0 0 "[ . 1 . 2 ]" 1
1810 1 33 GLN H 1 33 GLN QG 4.500 . 4.500 2.655 2.406 2.984 . 0 0 "[ . 1 . 2 ]" 1
1811 1 33 GLN HB3 1 33 GLN QE 3.500 . 3.500 2.567 1.886 3.520 0.020 23 0 "[ . 1 . 2 ]" 1
1812 1 34 THR H 1 34 THR HG1 3.000 . 3.000 2.041 1.882 2.170 . 0 0 "[ . 1 . 2 ]" 1
1813 1 34 THR H 1 34 THR MG 3.500 . 3.500 2.875 2.683 2.994 . 0 0 "[ . 1 . 2 ]" 1
1814 1 35 VAL H 1 35 VAL QG 2.500 . 2.500 1.842 1.736 1.987 . 0 0 "[ . 1 . 2 ]" 1
1815 1 37 LYS H 1 37 LYS QG 3.500 . 3.500 3.059 2.678 3.390 . 0 0 "[ . 1 . 2 ]" 1
1816 1 39 MET H 1 39 MET ME 5.500 . 5.500 4.293 3.801 4.870 . 0 0 "[ . 1 . 2 ]" 1
1817 1 40 VAL H 1 40 VAL QG 3.500 . 3.500 2.230 2.061 2.390 . 0 0 "[ . 1 . 2 ]" 1
1818 1 41 VAL H 1 41 VAL QG 3.500 . 3.500 1.923 1.812 2.086 . 0 0 "[ . 1 . 2 ]" 1
1819 1 43 ARG QB 1 43 ARG HE 3.500 . 3.500 2.136 1.467 2.493 . 0 0 "[ . 1 . 2 ]" 1
1820 1 44 ARG H 1 44 ARG QG 3.500 . 3.500 2.985 2.563 3.481 . 0 0 "[ . 1 . 2 ]" 1
1821 1 45 THR H 1 45 THR MG 4.500 . 4.500 3.770 3.748 3.784 . 0 0 "[ . 1 . 2 ]" 1
1822 1 45 THR HA 1 45 THR HG1 3.500 . 3.500 2.500 2.416 2.813 . 0 0 "[ . 1 . 2 ]" 1
1823 1 45 THR H 1 45 THR HG1 3.500 . 3.500 2.741 2.100 2.969 . 0 0 "[ . 1 . 2 ]" 1
1824 1 46 TYR H 1 46 TYR QD 4.500 . 4.500 4.127 3.860 4.227 . 0 0 "[ . 1 . 2 ]" 1
1825 1 46 TYR HB3 1 46 TYR QD 2.500 . 2.500 2.372 2.295 2.470 . 0 0 "[ . 1 . 2 ]" 1
1826 1 46 TYR HB2 1 46 TYR QD 3.500 . 3.500 2.470 2.369 2.660 . 0 0 "[ . 1 . 2 ]" 1
1827 1 49 PHE HA 1 49 PHE QD 3.500 . 3.500 2.914 2.599 2.988 . 0 0 "[ . 1 . 2 ]" 1
1828 1 49 PHE H 1 49 PHE QE 5.500 . 5.500 4.991 4.816 5.199 . 0 0 "[ . 1 . 2 ]" 1
1829 1 49 PHE H 1 49 PHE QD 3.500 . 3.500 2.769 2.494 3.156 . 0 0 "[ . 1 . 2 ]" 1
1830 1 51 LYS H 1 51 LYS QG 4.500 . 4.500 3.374 1.896 4.177 . 0 0 "[ . 1 . 2 ]" 1
1831 1 52 ARG H 1 52 ARG QG 3.500 . 3.500 2.508 1.732 3.102 . 0 0 "[ . 1 . 2 ]" 1
1832 1 54 LEU H 1 54 LEU MD2 4.500 . 4.500 3.918 3.520 4.213 . 0 0 "[ . 1 . 2 ]" 1
1833 1 54 LEU H 1 54 LEU HG 3.000 . 3.000 2.538 2.117 2.981 . 0 0 "[ . 1 . 2 ]" 1
1834 1 54 LEU H 1 54 LEU MD1 4.500 . 4.500 3.171 2.573 3.631 . 0 0 "[ . 1 . 2 ]" 1
1835 1 57 ARG HB2 1 57 ARG HE 4.500 . 4.500 3.926 3.319 4.281 . 0 0 "[ . 1 . 2 ]" 1
1836 1 57 ARG H 1 57 ARG QG 4.500 . 4.500 3.670 3.142 3.915 . 0 0 "[ . 1 . 2 ]" 1
1837 1 57 ARG H 1 57 ARG QD 4.500 . 4.500 3.810 3.039 4.530 0.030 18 0 "[ . 1 . 2 ]" 1
1838 1 57 ARG H 1 57 ARG HE 5.000 . 5.000 4.942 4.769 5.024 0.024 14 0 "[ . 1 . 2 ]" 1
1839 1 58 THR H 1 58 THR MG 4.500 . 4.500 3.798 3.765 3.870 . 0 0 "[ . 1 . 2 ]" 1
1840 1 59 ASN H 1 59 ASN QD 3.500 . 3.500 2.811 2.062 3.401 . 0 0 "[ . 1 . 2 ]" 1
1841 1 60 VAL H 1 60 VAL MG2 3.500 . 3.500 2.651 2.438 2.937 . 0 0 "[ . 1 . 2 ]" 1
1842 1 60 VAL H 1 60 VAL MG1 4.500 . 4.500 3.885 3.863 3.911 . 0 0 "[ . 1 . 2 ]" 1
1843 1 61 VAL H 1 61 VAL MG2 3.500 . 3.500 2.275 2.103 2.452 . 0 0 "[ . 1 . 2 ]" 1
1844 1 61 VAL H 1 61 VAL MG1 4.500 . 4.500 3.840 3.825 3.856 . 0 0 "[ . 1 . 2 ]" 1
1845 1 62 LEU H 1 62 LEU MD2 5.500 . 5.500 4.520 4.424 4.636 . 0 0 "[ . 1 . 2 ]" 1
1846 1 62 LEU MD1 1 62 LEU HG 2.500 . 2.500 2.132 2.107 2.151 . 0 0 "[ . 1 . 2 ]" 1
1847 1 62 LEU H 1 62 LEU MD1 4.500 . 4.500 3.355 3.000 3.889 . 0 0 "[ . 1 . 2 ]" 1
1848 1 63 THR H 1 63 THR MG 3.500 . 3.500 2.142 1.968 2.398 . 0 0 "[ . 1 . 2 ]" 1
1849 1 64 HIS QB 1 64 HIS HD2 3.500 . 3.500 2.744 2.678 3.088 . 0 0 "[ . 1 . 2 ]" 1
1850 1 64 HIS HA 1 64 HIS HD2 5.000 . 5.000 4.032 3.064 4.560 . 0 0 "[ . 1 . 2 ]" 1
1851 1 65 GLN H 1 65 GLN QG 4.000 . 4.000 3.458 2.867 3.670 . 0 0 "[ . 1 . 2 ]" 1
1852 1 65 GLN H 1 65 GLN QE 5.500 . 5.500 2.921 2.087 3.373 . 0 0 "[ . 1 . 2 ]" 1
1853 1 65 GLN QB 1 65 GLN QE 3.500 . 3.500 2.703 2.285 3.144 . 0 0 "[ . 1 . 2 ]" 1
1854 1 68 TYR HB3 1 68 TYR QD 3.500 . 3.500 2.359 2.316 2.404 . 0 0 "[ . 1 . 2 ]" 1
1855 1 68 TYR HB2 1 68 TYR QD 3.500 . 3.500 2.486 2.423 2.574 . 0 0 "[ . 1 . 2 ]" 1
1856 1 68 TYR HA 1 68 TYR QD 3.500 . 3.500 2.683 2.439 2.855 . 0 0 "[ . 1 . 2 ]" 1
1857 1 68 TYR H 1 68 TYR QD 4.500 . 4.500 4.021 3.937 4.105 . 0 0 "[ . 1 . 2 ]" 1
1858 1 69 GLN H 1 69 GLN QG 3.500 . 3.500 2.652 2.322 3.091 . 0 0 "[ . 1 . 2 ]" 1
1859 1 69 GLN HA 1 69 GLN QE 4.500 . 4.500 3.245 2.318 4.491 . 0 0 "[ . 1 . 2 ]" 1
1860 1 71 GLN H 1 71 GLN QG 3.500 . 3.500 2.655 2.156 3.133 . 0 0 "[ . 1 . 2 ]" 1
1861 1 74 VAL H 1 74 VAL MG1 4.500 . 4.500 3.788 3.767 3.865 . 0 0 "[ . 1 . 2 ]" 1
1862 1 74 VAL H 1 74 VAL MG2 3.500 . 3.500 2.037 1.874 2.733 . 0 0 "[ . 1 . 2 ]" 1
1863 1 75 VAL H 1 75 VAL MG1 4.500 . 4.500 3.924 3.835 3.961 . 0 0 "[ . 1 . 2 ]" 1
1864 1 75 VAL H 1 75 VAL MG2 3.500 . 3.500 2.873 2.490 3.103 . 0 0 "[ . 1 . 2 ]" 1
1865 1 76 VAL H 1 76 VAL MG2 2.500 . 2.500 2.129 1.973 2.315 . 0 0 "[ . 1 . 2 ]" 1
1866 1 76 VAL H 1 76 VAL MG1 3.500 . 3.500 3.097 2.939 3.188 . 0 0 "[ . 1 . 2 ]" 1
1867 1 79 VAL H 1 79 VAL MG1 4.500 . 4.500 3.782 3.769 3.791 . 0 0 "[ . 1 . 2 ]" 1
1868 1 79 VAL H 1 79 VAL MG2 2.500 . 2.500 2.068 1.915 2.269 . 0 0 "[ . 1 . 2 ]" 1
1869 1 82 VAL H 1 82 VAL MG1 4.500 . 4.500 3.750 3.717 3.770 . 0 0 "[ . 1 . 2 ]" 1
1870 1 82 VAL H 1 82 VAL MG2 3.500 . 3.500 1.883 1.720 2.019 . 0 0 "[ . 1 . 2 ]" 1
1871 1 83 PHE HA 1 83 PHE QD 3.500 . 3.500 2.297 2.070 2.515 . 0 0 "[ . 1 . 2 ]" 1
1872 1 85 TYR H 1 85 TYR QD 4.500 . 4.500 3.889 3.717 4.099 . 0 0 "[ . 1 . 2 ]" 1
1873 1 85 TYR HB2 1 85 TYR QE 5.000 . 5.000 4.494 4.468 4.527 . 0 0 "[ . 1 . 2 ]" 1
1874 1 85 TYR HB2 1 85 TYR QD 3.000 . 3.000 2.585 2.488 2.717 . 0 0 "[ . 1 . 2 ]" 1
1875 1 85 TYR HB3 1 85 TYR QD 3.500 . 3.500 2.317 2.298 2.354 . 0 0 "[ . 1 . 2 ]" 1
1876 1 85 TYR HA 1 85 TYR QD 3.500 . 3.500 2.419 2.021 2.713 . 0 0 "[ . 1 . 2 ]" 1
1877 1 88 GLN H 1 88 GLN QG 4.500 . 4.500 3.667 2.815 4.046 . 0 0 "[ . 1 . 2 ]" 1
1878 1 89 HIS H 1 89 HIS HD2 4.500 . 4.500 3.307 3.012 3.898 . 0 0 "[ . 1 . 2 ]" 1
1879 1 92 GLN H 1 92 GLN QG 4.500 . 4.500 4.177 4.127 4.204 . 0 0 "[ . 1 . 2 ]" 1
1880 1 92 GLN HB3 1 92 GLN QE 3.500 . 3.500 2.938 2.543 3.508 0.008 3 0 "[ . 1 . 2 ]" 1
1881 1 92 GLN HB2 1 92 GLN QE 4.500 . 4.500 2.933 2.546 3.302 . 0 0 "[ . 1 . 2 ]" 1
1882 1 93 GLU H 1 93 GLU HG3 4.000 . 4.000 2.975 2.526 3.572 . 0 0 "[ . 1 . 2 ]" 1
1883 1 94 LEU H 1 94 LEU QD 4.500 . 4.500 3.582 3.465 3.704 . 0 0 "[ . 1 . 2 ]" 1
1884 1 94 LEU H 1 94 LEU HG 5.500 . 5.500 4.565 4.487 4.610 . 0 0 "[ . 1 . 2 ]" 1
1885 1 96 ILE HA 1 96 ILE MD 3.500 . 3.500 1.968 1.878 2.191 . 0 0 "[ . 1 . 2 ]" 1
1886 1 96 ILE H 1 96 ILE MG 4.500 . 4.500 3.802 3.789 3.825 . 0 0 "[ . 1 . 2 ]" 1
1887 1 96 ILE H 1 96 ILE QG 3.500 . 3.500 2.071 1.950 2.189 . 0 0 "[ . 1 . 2 ]" 1
1888 1 96 ILE MD 1 96 ILE MG 3.500 . 3.500 1.923 1.775 2.046 . 0 0 "[ . 1 . 2 ]" 1
1889 1 96 ILE H 1 96 ILE MD 4.500 . 4.500 3.173 2.917 3.307 . 0 0 "[ . 1 . 2 ]" 1
1890 1 101 GLN H 1 101 GLN QG 4.500 . 4.500 3.455 2.040 4.056 . 0 0 "[ . 1 . 2 ]" 1
1891 1 102 ILE H 1 102 ILE QG 4.500 . 4.500 1.995 1.864 2.122 . 0 0 "[ . 1 . 2 ]" 1
1892 1 102 ILE H 1 102 ILE MD 3.500 . 3.500 3.041 2.850 3.216 . 0 0 "[ . 1 . 2 ]" 1
1893 1 102 ILE H 1 102 ILE MG 4.500 . 4.500 3.766 3.754 3.779 . 0 0 "[ . 1 . 2 ]" 1
1894 1 102 ILE MD 1 102 ILE MG 3.500 . 3.500 1.835 1.674 2.140 . 0 0 "[ . 1 . 2 ]" 1
1895 1 102 ILE HA 1 102 ILE MD 3.500 . 3.500 1.987 1.854 2.112 . 0 0 "[ . 1 . 2 ]" 1
1896 1 103 PHE HA 1 103 PHE QD 2.500 . 2.500 1.924 1.857 2.048 . 0 0 "[ . 1 . 2 ]" 1
1897 1 104 THR H 1 104 THR MG 4.500 . 4.500 3.717 2.663 3.782 . 0 0 "[ . 1 . 2 ]" 1
1898 1 106 PHE HA 1 106 PHE QD 3.500 . 3.500 2.931 2.781 3.073 . 0 0 "[ . 1 . 2 ]" 1
1899 1 107 LYS H 1 107 LYS QG 3.500 . 3.500 2.493 1.843 2.946 . 0 0 "[ . 1 . 2 ]" 1
1900 1 107 LYS H 1 107 LYS QD 5.500 . 5.500 4.098 3.429 4.465 . 0 0 "[ . 1 . 2 ]" 1
1901 1 110 VAL H 1 110 VAL MG2 4.500 . 4.500 2.625 2.458 2.791 . 0 0 "[ . 1 . 2 ]" 1
1902 1 110 VAL HA 1 110 VAL MG1 3.500 . 3.500 2.220 2.100 2.368 . 0 0 "[ . 1 . 2 ]" 1
1903 1 110 VAL HA 1 110 VAL MG2 3.500 . 3.500 2.442 2.392 2.514 . 0 0 "[ . 1 . 2 ]" 1
1904 1 112 THR H 1 112 THR MG 4.500 . 4.500 3.990 3.965 4.021 . 0 0 "[ . 1 . 2 ]" 1
1905 1 112 THR HA 1 112 THR MG 3.500 . 3.500 2.280 2.092 2.382 . 0 0 "[ . 1 . 2 ]" 1
1906 1 113 LEU H 1 113 LEU MD2 4.500 . 4.500 4.015 3.831 4.207 . 0 0 "[ . 1 . 2 ]" 1
1907 1 113 LEU H 1 113 LEU HG 3.500 . 3.500 2.736 2.467 3.085 . 0 0 "[ . 1 . 2 ]" 1
1908 1 113 LEU H 1 113 LEU MD1 4.500 . 4.500 3.515 3.154 3.859 . 0 0 "[ . 1 . 2 ]" 1
1909 1 113 LEU HB3 1 113 LEU MD1 3.500 . 3.500 2.609 2.467 2.783 . 0 0 "[ . 1 . 2 ]" 1
1910 1 113 LEU HB2 1 113 LEU MD1 3.500 . 3.500 2.144 1.958 2.260 . 0 0 "[ . 1 . 2 ]" 1
1911 1 114 LEU H 1 114 LEU MD1 4.500 . 4.500 3.522 3.308 3.683 . 0 0 "[ . 1 . 2 ]" 1
1912 1 114 LEU H 1 114 LEU HG 3.500 . 3.500 2.776 2.485 3.111 . 0 0 "[ . 1 . 2 ]" 1
1913 1 114 LEU HA 1 114 LEU HG 3.500 . 3.500 2.768 2.539 3.049 . 0 0 "[ . 1 . 2 ]" 1
1914 1 114 LEU HA 1 114 LEU MD2 2.500 . 2.500 2.390 2.242 2.503 0.003 18 0 "[ . 1 . 2 ]" 1
1915 1 115 VAL H 1 115 VAL MG2 4.500 . 4.500 3.890 3.849 3.925 . 0 0 "[ . 1 . 2 ]" 1
1916 1 115 VAL H 1 115 VAL MG1 2.500 . 2.500 2.069 1.971 2.217 . 0 0 "[ . 1 . 2 ]" 1
1917 1 116 THR H 1 116 THR HG1 5.500 . 5.500 3.523 3.407 3.737 . 0 0 "[ . 1 . 2 ]" 1
1918 1 117 ARG HB3 1 117 ARG HE 4.500 . 4.500 4.106 3.538 4.506 0.006 19 0 "[ . 1 . 2 ]" 1
1919 1 117 ARG HB2 1 117 ARG HE 4.500 . 4.500 3.781 2.995 4.241 . 0 0 "[ . 1 . 2 ]" 1
1920 1 118 LEU H 1 118 LEU MD1 3.500 . 3.500 2.004 1.851 2.331 . 0 0 "[ . 1 . 2 ]" 1
1921 1 118 LEU H 1 118 LEU HG 4.500 . 4.500 3.645 3.367 3.948 . 0 0 "[ . 1 . 2 ]" 1
1922 1 118 LEU H 1 118 LEU MD2 5.500 . 5.500 4.007 3.923 4.128 . 0 0 "[ . 1 . 2 ]" 1
1923 1 118 LEU HB2 1 118 LEU MD2 3.500 . 3.500 2.512 2.413 2.614 . 0 0 "[ . 1 . 2 ]" 1
1924 1 118 LEU HB3 1 118 LEU MD2 3.500 . 3.500 2.184 2.082 2.315 . 0 0 "[ . 1 . 2 ]" 1
1925 1 118 LEU HA 1 118 LEU MD1 3.500 . 3.500 2.901 2.508 3.173 . 0 0 "[ . 1 . 2 ]" 1
1926 1 118 LEU HA 1 118 LEU MD2 4.500 . 4.500 3.654 3.537 3.725 . 0 0 "[ . 1 . 2 ]" 1
1927 1 122 PHE QB 1 122 PHE QD 2.500 . 2.500 2.151 2.149 2.154 . 0 0 "[ . 1 . 2 ]" 1
1928 1 122 PHE H 1 122 PHE QD 3.500 . 3.500 2.230 2.044 2.475 . 0 0 "[ . 1 . 2 ]" 1
1929 1 122 PHE HA 1 122 PHE QD 3.500 . 3.500 3.004 2.850 3.105 . 0 0 "[ . 1 . 2 ]" 1
1930 1 122 PHE H 1 122 PHE QE 5.500 . 5.500 4.244 4.075 4.398 . 0 0 "[ . 1 . 2 ]" 1
1931 1 123 GLU H 1 123 GLU QG 4.500 . 4.500 2.568 1.819 4.070 . 0 0 "[ . 1 . 2 ]" 1
1932 1 126 THR H 1 126 THR MG 4.500 . 4.500 3.879 3.855 3.900 . 0 0 "[ . 1 . 2 ]" 1
1933 1 127 LYS H 1 127 LYS HG3 3.500 . 3.500 3.124 2.812 3.454 . 0 0 "[ . 1 . 2 ]" 1
1934 1 128 MET ME 1 128 MET HG3 3.500 . 3.500 2.470 2.259 2.611 . 0 0 "[ . 1 . 2 ]" 1
1935 1 128 MET HB2 1 128 MET ME 4.500 . 4.500 4.208 4.139 4.262 . 0 0 "[ . 1 . 2 ]" 1
1936 1 128 MET HB3 1 128 MET ME 4.500 . 4.500 3.925 3.883 3.974 . 0 0 "[ . 1 . 2 ]" 1
1937 1 129 ILE H 1 129 ILE QG 2.500 . 2.500 2.065 1.933 2.250 . 0 0 "[ . 1 . 2 ]" 1
1938 1 129 ILE H 1 129 ILE MG 3.500 . 3.500 2.312 2.039 2.490 . 0 0 "[ . 1 . 2 ]" 1
1939 1 131 LEU H 1 131 LEU MD1 4.500 . 4.500 3.773 3.568 3.981 . 0 0 "[ . 1 . 2 ]" 1
1940 1 131 LEU H 1 131 LEU MD2 4.500 . 4.500 4.097 3.961 4.214 . 0 0 "[ . 1 . 2 ]" 1
1941 1 131 LEU H 1 131 LEU HG 3.500 . 3.500 3.137 2.896 3.354 . 0 0 "[ . 1 . 2 ]" 1
1942 1 132 ASN H 1 132 ASN QD 5.000 . 5.000 4.683 4.037 4.889 . 0 0 "[ . 1 . 2 ]" 1
1943 1 133 TRP H 1 133 TRP HD1 3.500 . 3.500 2.361 2.184 2.619 . 0 0 "[ . 1 . 2 ]" 1
1944 1 133 TRP HA 1 133 TRP HE3 3.500 . 3.500 2.905 2.610 3.145 . 0 0 "[ . 1 . 2 ]" 1
1945 1 133 TRP HA 1 133 TRP HD1 4.500 . 4.500 4.308 4.189 4.456 . 0 0 "[ . 1 . 2 ]" 1
1946 1 133 TRP H 1 133 TRP HE1 5.500 . 5.500 4.064 3.955 4.189 . 0 0 "[ . 1 . 2 ]" 1
1947 1 136 PHE H 1 136 PHE QE 5.500 . 5.500 4.751 4.570 4.977 . 0 0 "[ . 1 . 2 ]" 1
1948 1 136 PHE H 1 136 PHE QD 3.500 . 3.500 2.526 2.271 2.896 . 0 0 "[ . 1 . 2 ]" 1
1949 1 136 PHE HA 1 136 PHE QD 3.500 . 3.500 3.043 2.840 3.132 . 0 0 "[ . 1 . 2 ]" 1
1950 1 137 THR H 1 137 THR MG 4.500 . 4.500 3.969 3.947 3.989 . 0 0 "[ . 1 . 2 ]" 1
1951 1 138 LYS HB3 1 138 LYS HE2 5.500 . 5.500 3.615 1.938 4.171 . 0 0 "[ . 1 . 2 ]" 1
1952 1 138 LYS HB3 1 138 LYS HE3 4.500 . 4.500 2.723 1.874 3.495 . 0 0 "[ . 1 . 2 ]" 1
1953 1 138 LYS HB3 1 138 LYS HD3 4.000 . 4.000 3.501 3.435 3.552 . 0 0 "[ . 1 . 2 ]" 1
1954 1 138 LYS HA 1 138 LYS HG2 3.500 . 3.500 2.241 2.055 2.412 . 0 0 "[ . 1 . 2 ]" 1
1955 1 138 LYS H 1 138 LYS HD2 5.500 . 5.500 4.720 4.418 5.053 . 0 0 "[ . 1 . 2 ]" 1
1956 1 138 LYS H 1 138 LYS HD3 6.000 . 6.000 5.875 5.747 6.004 0.004 13 0 "[ . 1 . 2 ]" 1
1957 1 138 LYS H 1 138 LYS HG3 5.500 . 5.500 4.490 4.197 4.656 . 0 0 "[ . 1 . 2 ]" 1
1958 1 142 ARG H 1 142 ARG QG 4.500 . 4.500 4.161 4.115 4.244 . 0 0 "[ . 1 . 2 ]" 1
1959 1 143 THR H 1 143 THR MG 4.500 . 4.500 3.856 3.832 3.878 . 0 0 "[ . 1 . 2 ]" 1
1960 1 144 VAL H 1 144 VAL QG 3.000 . 3.000 2.096 1.899 2.976 . 0 0 "[ . 1 . 2 ]" 1
1961 1 145 GLU H 1 145 GLU QG 3.500 . 3.500 2.605 1.859 3.339 . 0 0 "[ . 1 . 2 ]" 1
1962 1 147 THR H 1 147 THR MG 4.500 . 4.500 2.491 2.239 2.621 . 0 0 "[ . 1 . 2 ]" 1
1963 1 148 ASN HA 1 148 ASN QD 4.500 . 4.500 3.064 2.174 3.669 . 0 0 "[ . 1 . 2 ]" 1
1964 1 151 LEU H 1 151 LEU MD2 4.500 . 4.500 3.374 3.184 3.568 . 0 0 "[ . 1 . 2 ]" 1
1965 1 151 LEU H 1 151 LEU MD1 4.500 . 4.500 3.635 3.530 3.746 . 0 0 "[ . 1 . 2 ]" 1
1966 1 151 LEU H 1 151 LEU HG 3.500 . 3.500 2.250 2.053 2.449 . 0 0 "[ . 1 . 2 ]" 1
1967 1 153 HIS QB 1 153 HIS HD2 3.500 . 3.500 2.702 2.676 2.756 . 0 0 "[ . 1 . 2 ]" 1
1968 1 154 THR H 1 154 THR MG 4.500 . 4.500 3.936 3.908 3.949 . 0 0 "[ . 1 . 2 ]" 1
1969 1 155 TYR HB2 1 155 TYR QD 3.500 . 3.500 2.332 2.305 2.384 . 0 0 "[ . 1 . 2 ]" 1
1970 1 155 TYR HB3 1 155 TYR QD 3.500 . 3.500 2.525 2.441 2.590 . 0 0 "[ . 1 . 2 ]" 1
1971 1 155 TYR HA 1 155 TYR QD 3.500 . 3.500 2.596 2.397 2.853 . 0 0 "[ . 1 . 2 ]" 1
1972 1 155 TYR H 1 155 TYR QD 3.500 . 3.500 2.846 2.461 3.029 . 0 0 "[ . 1 . 2 ]" 1
1973 1 156 GLU HA 1 156 GLU QG 3.500 . 3.500 2.314 2.053 2.576 . 0 0 "[ . 1 . 2 ]" 1
1974 1 156 GLU H 1 156 GLU QG 3.500 . 3.500 2.868 2.464 3.359 . 0 0 "[ . 1 . 2 ]" 1
1975 1 157 VAL HA 1 157 VAL QG 2.500 . 2.500 2.046 2.013 2.098 . 0 0 "[ . 1 . 2 ]" 1
1976 1 157 VAL H 1 157 VAL QG 3.500 . 3.500 2.614 2.185 2.981 . 0 0 "[ . 1 . 2 ]" 1
1977 1 158 TRP HA 1 158 TRP HE3 4.500 . 4.500 3.856 3.723 3.968 . 0 0 "[ . 1 . 2 ]" 1
1978 1 158 TRP HA 1 158 TRP HD1 4.500 . 4.500 3.700 3.584 3.816 . 0 0 "[ . 1 . 2 ]" 1
1979 1 158 TRP H 1 158 TRP HD1 3.500 . 3.500 2.307 2.095 2.481 . 0 0 "[ . 1 . 2 ]" 1
1980 1 158 TRP HB3 1 158 TRP HE3 3.500 . 3.500 2.468 2.454 2.488 . 0 0 "[ . 1 . 2 ]" 1
1981 1 159 GLN H 1 159 GLN QG 4.500 . 4.500 3.328 3.137 3.484 . 0 0 "[ . 1 . 2 ]" 1
1982 1 159 GLN HA 1 159 GLN QG 3.500 . 3.500 2.236 2.112 2.550 . 0 0 "[ . 1 . 2 ]" 1
1983 1 160 LYS H 1 160 LYS QG 4.500 . 4.500 3.949 3.903 4.011 . 0 0 "[ . 1 . 2 ]" 1
1984 1 160 LYS H 1 160 LYS QD 5.000 . 5.000 4.437 4.271 4.623 . 0 0 "[ . 1 . 2 ]" 1
1985 1 161 LYS H 1 161 LYS QG 3.500 . 3.500 2.380 1.959 2.928 . 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 69
_Distance_constraint_stats_list.Viol_count 215
_Distance_constraint_stats_list.Viol_total 1132.040
_Distance_constraint_stats_list.Viol_max 0.618
_Distance_constraint_stats_list.Viol_rms 0.0949
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0285
_Distance_constraint_stats_list.Viol_average_violations_only 0.2194
_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 1 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 GLY 0.796 0.244 16 0 "[ . 1 . 2 ]"
1 20 PRO 0.796 0.244 16 0 "[ . 1 . 2 ]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 TYR 3.196 0.389 20 0 "[ . 1 . 2 ]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LYS 0.584 0.156 19 0 "[ . 1 . 2 ]"
1 38 ILE 0.584 0.156 19 0 "[ . 1 . 2 ]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 VAL 4.077 0.374 20 0 "[ . 1 . 2 ]"
1 41 VAL 4.077 0.374 20 0 "[ . 1 . 2 ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 PHE 0.334 0.279 22 0 "[ . 1 . 2 ]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 THR 0.584 0.156 19 0 "[ . 1 . 2 ]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 VAL 10.363 0.597 14 3 "[ . 1* +. 2 - ]"
1 61 VAL 0.590 0.108 4 0 "[ . 1 . 2 ]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 70 ALA 4.131 0.408 12 0 "[ . 1 . 2 ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ALA 4.131 0.408 12 0 "[ . 1 . 2 ]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 75 VAL 3.541 0.408 12 0 "[ . 1 . 2 ]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 TYR 6.286 0.597 14 3 "[ . 1* +. 2 - ]"
1 90 PRO 1.293 0.164 16 0 "[ . 1 . 2 ]"
1 91 ASP 1.293 0.164 16 0 "[ . 1 . 2 ]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 ALA 0.334 0.279 22 0 "[ . 1 . 2 ]"
1 102 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 104 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 107 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 112 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 113 LEU 6.286 0.597 14 3 "[ . 1* +. 2 - ]"
1 114 LEU 0.334 0.279 22 0 "[ . 1 . 2 ]"
1 115 VAL 7.379 0.515 1 1 "[+ . 1 . 2 ]"
1 116 THR 1.665 0.335 23 0 "[ . 1 . 2 ]"
1 117 ARG 1.078 0.321 21 0 "[ . 1 . 2 ]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 126 THR 0.796 0.244 16 0 "[ . 1 . 2 ]"
1 129 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 131 LEU 7.379 0.515 1 1 "[+ . 1 . 2 ]"
1 133 TRP 7.379 0.515 1 1 "[+ . 1 . 2 ]"
1 134 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 136 PHE 6.286 0.597 14 3 "[ . 1* +. 2 - ]"
1 138 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 141 SER 9.580 0.618 2 9 "[ + -. **1 *.****2 ]"
1 142 ARG 4.891 0.553 18 2 "[ . -1 . + 2 ]"
1 144 VAL 2.212 0.515 20 1 "[ . 1 . + ]"
1 145 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 146 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 151 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 152 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 153 HIS 1.078 0.321 21 0 "[ . 1 . 2 ]"
1 154 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 155 TYR 11.631 0.553 18 3 "[ . *1 . + - ]"
1 156 GLU 10.657 0.618 2 9 "[ + -. **1 *.****2 ]"
1 157 VAL 9.580 0.618 2 9 "[ + -. **1 *.****2 ]"
1 158 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 159 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 160 LYS 0.000 0.000 . 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 29 TYR HB2 1 155 TYR QR 3.500 . 3.500 2.709 2.169 3.210 . 0 0 "[ . 1 . 2 ]" 2
2 1 29 TYR HB3 1 155 TYR QR 3.500 . 3.500 2.760 2.465 3.027 . 0 0 "[ . 1 . 2 ]" 2
3 1 29 TYR HA 1 155 TYR QR 4.500 . 4.500 4.575 4.245 4.889 0.389 20 0 "[ . 1 . 2 ]" 2
4 1 116 THR MG 1 155 TYR QR 3.500 . 3.500 2.115 1.845 2.279 . 0 0 "[ . 1 . 2 ]" 2
5 1 116 THR HB 1 155 TYR QR 4.500 . 4.500 4.076 3.869 4.391 . 0 0 "[ . 1 . 2 ]" 2
6 1 116 THR HA 1 155 TYR QR 3.500 . 3.500 3.509 3.232 3.835 0.335 23 0 "[ . 1 . 2 ]" 2
7 1 142 ARG QG 1 155 TYR QR 3.500 . 3.500 3.679 3.253 4.053 0.553 18 2 "[ . -1 . + 2 ]" 2
8 1 142 ARG QB 1 155 TYR QR 3.500 . 3.500 2.323 1.969 2.545 . 0 0 "[ . 1 . 2 ]" 2
9 1 144 VAL QG 1 155 TYR QR 2.500 . 2.500 2.111 1.834 2.966 0.466 10 0 "[ . 1 . 2 ]" 2
10 1 144 VAL HB 1 155 TYR QR 3.500 . 3.500 3.253 2.590 4.015 0.515 20 1 "[ . 1 . + ]" 2
11 1 153 HIS HD2 1 155 TYR QR 4.500 . 4.500 2.933 2.456 3.164 . 0 0 "[ . 1 . 2 ]" 2
12 1 154 THR MG 1 155 TYR QR 4.500 . 4.500 4.085 3.720 4.328 . 0 0 "[ . 1 . 2 ]" 2
13 1 1 THR HA 1 96 ILE MD 5.500 . 5.500 3.760 3.396 4.082 . 0 0 "[ . 1 . 2 ]" 2
14 1 2 ALA H 1 2 ALA MB 3.500 . 3.500 2.454 2.370 2.546 . 0 0 "[ . 1 . 2 ]" 2
15 1 5 TRP H 1 6 ALA H 4.500 . 4.500 3.910 3.651 3.979 . 0 0 "[ . 1 . 2 ]" 2
16 1 8 ASP H 1 9 ARG H 3.500 . 3.500 2.802 2.757 2.849 . 0 0 "[ . 1 . 2 ]" 2
17 1 8 ASP HA 1 118 LEU H 3.500 . 3.500 1.938 1.818 2.047 . 0 0 "[ . 1 . 2 ]" 2
18 1 9 ARG H 1 9 ARG HB2 3.500 . 3.500 3.270 3.135 3.404 . 0 0 "[ . 1 . 2 ]" 2
19 1 14 GLY H 1 126 THR MG 4.500 . 4.500 3.961 3.048 4.744 0.244 16 0 "[ . 1 . 2 ]" 2
20 1 24 PRO HA 1 27 LEU H 3.500 . 3.500 2.512 2.414 2.613 . 0 0 "[ . 1 . 2 ]" 2
21 1 38 ILE HA 1 39 MET H 3.500 . 3.500 2.171 2.084 2.199 . 0 0 "[ . 1 . 2 ]" 2
22 1 37 LYS H 1 38 ILE H 3.500 . 3.500 3.432 3.213 3.656 0.156 19 0 "[ . 1 . 2 ]" 2
23 1 38 ILE H 1 38 ILE QG 3.500 . 3.500 2.127 1.955 2.738 . 0 0 "[ . 1 . 2 ]" 2
24 1 40 VAL HB 1 41 VAL H 3.500 . 3.500 3.669 3.487 3.874 0.374 20 0 "[ . 1 . 2 ]" 2
25 1 40 VAL H 1 41 VAL QG 4.500 . 4.500 3.635 3.548 3.777 . 0 0 "[ . 1 . 2 ]" 2
26 1 41 VAL QG 1 61 VAL MG2 3.500 . 3.500 2.554 2.330 2.723 . 0 0 "[ . 1 . 2 ]" 2
27 1 43 ARG HA 1 61 VAL MG1 3.500 . 3.500 2.160 1.898 2.447 . 0 0 "[ . 1 . 2 ]" 2
28 1 42 GLY H 1 45 THR MG 4.500 . 4.500 2.313 1.856 2.845 . 0 0 "[ . 1 . 2 ]" 2
29 1 50 PRO HB2 1 51 LYS H 3.500 . 3.500 2.555 2.424 2.692 . 0 0 "[ . 1 . 2 ]" 2
30 1 36 GLY H 1 57 ARG HB3 4.500 . 4.500 3.897 3.279 4.171 . 0 0 "[ . 1 . 2 ]" 2
31 1 60 VAL HA 1 74 VAL H 3.500 . 3.500 2.179 2.125 2.308 . 0 0 "[ . 1 . 2 ]" 2
32 1 38 ILE QG 1 85 TYR QD 3.500 . 3.500 2.891 2.331 3.341 . 0 0 "[ . 1 . 2 ]" 2
33 1 61 VAL MG1 1 70 ALA MB 4.500 . 4.500 3.917 3.552 4.141 . 0 0 "[ . 1 . 2 ]" 2
34 1 61 VAL MG2 1 70 ALA MB 2.500 . 2.500 2.401 2.075 2.608 0.108 4 0 "[ . 1 . 2 ]" 2
35 1 70 ALA MB 1 75 VAL H 4.500 . 4.500 4.603 4.141 4.908 0.408 12 0 "[ . 1 . 2 ]" 2
36 1 90 PRO HB2 1 91 ASP H 3.500 . 3.500 3.470 2.427 3.664 0.164 16 0 "[ . 1 . 2 ]" 2
37 1 38 ILE H 1 92 GLN HB3 3.500 . 3.500 2.746 2.054 3.316 . 0 0 "[ . 1 . 2 ]" 2
38 1 2 ALA HA 1 95 VAL QG 5.500 . 5.500 3.946 3.820 4.086 . 0 0 "[ . 1 . 2 ]" 2
39 1 3 PHE HA 1 96 ILE MG 4.500 . 4.500 3.397 3.263 3.663 . 0 0 "[ . 1 . 2 ]" 2
40 1 102 ILE HA 1 105 ALA H 3.500 . 3.500 3.172 3.085 3.220 . 0 0 "[ . 1 . 2 ]" 2
41 1 105 ALA MB 1 106 PHE H 3.000 . 3.000 2.777 2.668 2.855 . 0 0 "[ . 1 . 2 ]" 2
42 1 110 VAL HA 1 113 LEU MD2 5.500 . 5.500 4.451 4.222 4.728 . 0 0 "[ . 1 . 2 ]" 2
43 1 113 LEU HG 1 159 GLN H 3.500 . 3.500 3.033 2.782 3.257 . 0 0 "[ . 1 . 2 ]" 2
44 1 5 TRP HZ2 1 115 VAL MG2 3.500 . 3.500 2.394 2.191 2.607 . 0 0 "[ . 1 . 2 ]" 2
45 1 115 VAL MG2 1 133 TRP HE3 5.500 . 5.500 4.832 4.526 5.078 . 0 0 "[ . 1 . 2 ]" 2
46 1 115 VAL MG2 1 133 TRP HH2 2.500 . 2.500 2.807 2.503 3.015 0.515 1 1 "[+ . 1 . 2 ]" 2
47 1 115 VAL MG2 1 133 TRP HZ2 3.500 . 3.500 2.762 2.422 3.070 . 0 0 "[ . 1 . 2 ]" 2
48 1 118 LEU HB3 1 119 ALA H 3.500 . 3.500 2.675 2.579 2.788 . 0 0 "[ . 1 . 2 ]" 2
49 1 120 GLY H 1 152 THR H 3.500 . 3.500 2.708 2.663 2.751 . 0 0 "[ . 1 . 2 ]" 2
50 1 133 TRP HA 1 136 PHE QE 4.500 . 4.500 3.361 2.937 3.725 . 0 0 "[ . 1 . 2 ]" 2
51 1 134 ASP HB3 1 135 ASP H 3.500 . 3.500 2.788 2.563 3.009 . 0 0 "[ . 1 . 2 ]" 2
52 1 138 LYS HD3 1 139 VAL H 4.500 . 4.500 2.834 2.566 3.034 . 0 0 "[ . 1 . 2 ]" 2
53 1 141 SER HA 1 142 ARG H 3.500 . 3.500 2.224 2.211 2.247 . 0 0 "[ . 1 . 2 ]" 2
54 1 141 SER HA 1 156 GLU QG 3.500 . 3.500 3.899 3.506 4.118 0.618 2 9 "[ + -. **1 *.****2 ]" 2
55 1 144 VAL HA 1 145 GLU H 4.500 . 4.500 2.185 2.160 2.212 . 0 0 "[ . 1 . 2 ]" 2
56 1 145 GLU H 1 146 ASP H 4.500 . 4.500 4.171 3.614 4.303 . 0 0 "[ . 1 . 2 ]" 2
57 1 146 ASP H 1 151 LEU MD1 4.500 . 4.500 2.880 2.547 3.241 . 0 0 "[ . 1 . 2 ]" 2
58 1 117 ARG H 1 153 HIS QB 3.500 . 3.500 3.488 3.249 3.821 0.321 21 0 "[ . 1 . 2 ]" 2
59 1 138 LYS H 1 158 TRP HE3 3.500 . 3.500 2.625 2.388 2.807 . 0 0 "[ . 1 . 2 ]" 2
60 1 3 PHE HA 1 96 ILE QG 3.500 . 3.500 3.037 2.765 3.418 . 0 0 "[ . 1 . 2 ]" 2
61 1 29 TYR QE 1 97 ALA MB 3.500 . 3.500 3.271 2.841 3.779 0.279 22 0 "[ . 1 . 2 ]" 2
62 1 29 TYR HB2 1 106 PHE HZ 4.500 . 4.500 2.849 2.551 3.352 . 0 0 "[ . 1 . 2 ]" 2
63 1 29 TYR HB2 1 29 TYR HD1 3.500 . 3.500 2.408 2.287 2.511 . 0 0 "[ . 1 . 2 ]" 2
64 1 27 LEU HA 1 30 PHE HB3 3.500 . 3.500 2.434 2.257 2.707 . 0 0 "[ . 1 . 2 ]" 2
65 1 69 GLN HA 1 71 GLN H . . 3.500 3.330 3.237 3.500 . 0 0 "[ . 1 . 2 ]" 2
66 1 54 LEU MD1 1 59 ASN QD 4.500 . 4.500 2.419 1.945 3.134 . 0 0 "[ . 1 . 2 ]" 2
67 1 60 VAL MG2 1 85 TYR QD 3.500 . 3.500 3.762 3.507 4.097 0.597 14 3 "[ . 1* +. 2 - ]" 2
68 1 30 PHE QD 1 34 THR MG 4.500 . 4.500 3.447 2.883 3.782 . 0 0 "[ . 1 . 2 ]" 2
69 1 3 PHE HA 1 96 ILE QG 3.500 . 3.500 2.670 2.440 2.834 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 132
_Distance_constraint_stats_list.Viol_count 424
_Distance_constraint_stats_list.Viol_total 127.226
_Distance_constraint_stats_list.Viol_max 0.048
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0125
_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 1 THR 0.092 0.015 4 0 "[ . 1 . 2 ]"
1 2 ALA 0.015 0.006 3 0 "[ . 1 . 2 ]"
1 3 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 LEU 0.631 0.048 22 0 "[ . 1 . 2 ]"
1 5 TRP 0.073 0.021 14 0 "[ . 1 . 2 ]"
1 7 GLN 0.030 0.016 12 0 "[ . 1 . 2 ]"
1 23 LEU 0.091 0.011 7 0 "[ . 1 . 2 ]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 ASP 0.160 0.013 5 0 "[ . 1 . 2 ]"
1 26 ASP 0.026 0.005 11 0 "[ . 1 . 2 ]"
1 27 LEU 0.066 0.011 7 0 "[ . 1 . 2 ]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 TYR 0.160 0.013 5 0 "[ . 1 . 2 ]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 ILE 0.460 0.041 22 0 "[ . 1 . 2 ]"
1 39 MET 0.001 0.001 5 0 "[ . 1 . 2 ]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 VAL 0.167 0.034 22 0 "[ . 1 . 2 ]"
1 42 GLY 0.074 0.019 10 0 "[ . 1 . 2 ]"
1 43 ARG 0.005 0.005 1 0 "[ . 1 . 2 ]"
1 44 ARG 0.270 0.024 4 0 "[ . 1 . 2 ]"
1 45 THR 0.024 0.009 19 0 "[ . 1 . 2 ]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 GLU 0.005 0.005 1 0 "[ . 1 . 2 ]"
1 48 SER 0.270 0.024 4 0 "[ . 1 . 2 ]"
1 49 PHE 0.024 0.009 19 0 "[ . 1 . 2 ]"
1 58 THR 0.001 0.001 5 0 "[ . 1 . 2 ]"
1 59 ASN 0.005 0.005 14 0 "[ . 1 . 2 ]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 VAL 0.064 0.014 21 0 "[ . 1 . 2 ]"
1 62 LEU 0.167 0.034 22 0 "[ . 1 . 2 ]"
1 63 THR 0.163 0.022 14 0 "[ . 1 . 2 ]"
1 74 VAL 0.009 0.005 14 0 "[ . 1 . 2 ]"
1 76 VAL 0.222 0.022 14 0 "[ . 1 . 2 ]"
1 78 ASP 0.441 0.027 14 0 "[ . 1 . 2 ]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 ALA 0.104 0.012 11 0 "[ . 1 . 2 ]"
1 81 ALA 0.208 0.017 19 0 "[ . 1 . 2 ]"
1 82 VAL 0.371 0.027 14 0 "[ . 1 . 2 ]"
1 83 PHE 0.016 0.008 9 0 "[ . 1 . 2 ]"
1 84 ALA 0.277 0.028 11 0 "[ . 1 . 2 ]"
1 85 TYR 0.072 0.008 12 0 "[ . 1 . 2 ]"
1 86 ALA 0.066 0.014 4 0 "[ . 1 . 2 ]"
1 87 LYS 0.016 0.008 9 0 "[ . 1 . 2 ]"
1 88 GLN 0.173 0.028 11 0 "[ . 1 . 2 ]"
1 89 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 GLU 0.460 0.041 22 0 "[ . 1 . 2 ]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 ILE 0.646 0.048 22 0 "[ . 1 . 2 ]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 98 GLY 0.074 0.019 10 0 "[ . 1 . 2 ]"
1 99 GLY 0.661 0.034 6 0 "[ . 1 . 2 ]"
1 100 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 GLN 0.326 0.024 13 0 "[ . 1 . 2 ]"
1 102 ILE 0.696 0.034 6 0 "[ . 1 . 2 ]"
1 103 PHE 0.300 0.029 22 0 "[ . 1 . 2 ]"
1 104 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 ALA 0.326 0.024 13 0 "[ . 1 . 2 ]"
1 106 PHE 0.036 0.014 16 0 "[ . 1 . 2 ]"
1 107 LYS 0.300 0.029 22 0 "[ . 1 . 2 ]"
1 111 ASP 0.033 0.011 21 0 "[ . 1 . 2 ]"
1 112 THR 0.092 0.015 4 0 "[ . 1 . 2 ]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 114 LEU 0.006 0.005 6 0 "[ . 1 . 2 ]"
1 115 VAL 0.075 0.041 6 0 "[ . 1 . 2 ]"
1 116 THR 0.098 0.021 14 0 "[ . 1 . 2 ]"
1 117 ARG 0.004 0.004 3 0 "[ . 1 . 2 ]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 120 GLY 0.069 0.012 24 0 "[ . 1 . 2 ]"
1 137 THR 0.106 0.017 17 0 "[ . 1 . 2 ]"
1 139 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 140 SER 0.033 0.030 8 0 "[ . 1 . 2 ]"
1 142 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 144 VAL 0.462 0.027 24 0 "[ . 1 . 2 ]"
1 150 ALA 0.069 0.012 24 0 "[ . 1 . 2 ]"
1 152 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 153 HIS 0.462 0.027 24 0 "[ . 1 . 2 ]"
1 154 THR 0.004 0.004 3 0 "[ . 1 . 2 ]"
1 155 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 156 GLU 0.075 0.041 6 0 "[ . 1 . 2 ]"
1 157 VAL 0.033 0.030 8 0 "[ . 1 . 2 ]"
1 158 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 159 GLN 0.106 0.017 17 0 "[ . 1 . 2 ]"
1 160 LYS 0.033 0.011 21 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 2 ALA H 1 94 LEU O 2.200 . 2.400 1.986 1.676 2.329 . 0 0 "[ . 1 . 2 ]" 3
2 1 2 ALA N 1 94 LEU O 3.200 2.500 3.400 2.784 2.604 3.134 . 0 0 "[ . 1 . 2 ]" 3
3 1 3 PHE H 1 112 THR O 2.200 . 2.400 1.841 1.650 2.056 . 0 0 "[ . 1 . 2 ]" 3
4 1 3 PHE N 1 112 THR O 3.200 2.500 3.400 2.720 2.568 2.874 . 0 0 "[ . 1 . 2 ]" 3
5 1 4 LEU H 1 96 ILE O 2.200 . 2.400 2.421 2.262 2.448 0.048 22 0 "[ . 1 . 2 ]" 3
6 1 4 LEU N 1 96 ILE O 3.200 2.500 3.400 3.155 3.079 3.227 . 0 0 "[ . 1 . 2 ]" 3
7 1 5 TRP H 1 114 LEU O 2.200 . 2.400 2.179 1.936 2.405 0.005 6 0 "[ . 1 . 2 ]" 3
8 1 5 TRP N 1 114 LEU O 3.200 2.500 3.400 3.023 2.896 3.156 . 0 0 "[ . 1 . 2 ]" 3
9 1 7 GLN H 1 116 THR O 2.200 . 2.400 1.895 1.705 2.416 0.016 12 0 "[ . 1 . 2 ]" 3
10 1 7 GLN N 1 116 THR O 3.200 2.500 3.400 2.737 2.613 2.962 . 0 0 "[ . 1 . 2 ]" 3
11 1 38 ILE H 1 93 GLU O 2.200 . 2.400 2.419 2.403 2.441 0.041 22 0 "[ . 1 . 2 ]" 3
12 1 38 ILE N 1 93 GLU O 3.200 2.500 3.400 3.266 3.224 3.313 . 0 0 "[ . 1 . 2 ]" 3
13 1 39 MET H 1 58 THR O 2.200 . 2.400 2.102 1.845 2.401 0.001 5 0 "[ . 1 . 2 ]" 3
14 1 39 MET N 1 58 THR O 3.200 2.500 3.400 2.944 2.725 3.225 . 0 0 "[ . 1 . 2 ]" 3
15 1 40 VAL H 1 95 VAL O 2.200 . 2.400 1.791 1.614 2.187 . 0 0 "[ . 1 . 2 ]" 3
16 1 40 VAL N 1 95 VAL O 3.200 2.500 3.400 2.734 2.592 3.059 . 0 0 "[ . 1 . 2 ]" 3
17 1 41 VAL H 1 60 VAL O 2.200 . 2.400 2.073 1.912 2.344 . 0 0 "[ . 1 . 2 ]" 3
18 1 41 VAL N 1 60 VAL O 3.200 2.500 3.400 3.031 2.887 3.273 . 0 0 "[ . 1 . 2 ]" 3
19 1 42 GLY H 1 98 GLY O 2.200 . 2.400 2.054 1.756 2.419 0.019 10 0 "[ . 1 . 2 ]" 3
20 1 42 GLY N 1 98 GLY O 3.200 2.500 3.400 2.826 2.694 3.014 . 0 0 "[ . 1 . 2 ]" 3
21 1 39 MET O 1 60 VAL H 2.200 . 2.400 1.705 1.611 1.888 . 0 0 "[ . 1 . 2 ]" 3
22 1 39 MET O 1 60 VAL N 3.200 2.500 3.400 2.670 2.585 2.841 . 0 0 "[ . 1 . 2 ]" 3
23 1 61 VAL H 1 74 VAL O 2.200 . 2.400 2.145 1.598 2.404 0.004 18 0 "[ . 1 . 2 ]" 3
24 1 61 VAL N 1 74 VAL O 3.200 2.500 3.400 3.093 2.566 3.361 . 0 0 "[ . 1 . 2 ]" 3
25 1 41 VAL O 1 62 LEU H 2.200 . 2.400 2.329 2.105 2.434 0.034 22 0 "[ . 1 . 2 ]" 3
26 1 41 VAL O 1 62 LEU N 3.200 2.500 3.400 3.115 2.955 3.287 . 0 0 "[ . 1 . 2 ]" 3
27 1 63 THR H 1 76 VAL O 2.200 . 2.400 2.373 2.218 2.422 0.022 14 0 "[ . 1 . 2 ]" 3
28 1 63 THR N 1 76 VAL O 3.200 2.500 3.400 3.319 3.167 3.388 . 0 0 "[ . 1 . 2 ]" 3
29 1 59 ASN O 1 74 VAL H 2.200 . 2.400 2.149 1.749 2.405 0.005 14 0 "[ . 1 . 2 ]" 3
30 1 59 ASN O 1 74 VAL N 3.200 2.500 3.400 2.939 2.635 3.265 . 0 0 "[ . 1 . 2 ]" 3
31 1 61 VAL O 1 76 VAL H 2.200 . 2.400 2.304 2.074 2.414 0.014 21 0 "[ . 1 . 2 ]" 3
32 1 61 VAL O 1 76 VAL N 3.200 2.500 3.400 3.215 3.008 3.328 . 0 0 "[ . 1 . 2 ]" 3
33 1 38 ILE O 1 95 VAL H 2.200 . 2.400 1.917 1.720 2.190 . 0 0 "[ . 1 . 2 ]" 3
34 1 38 ILE O 1 95 VAL N 3.200 2.500 3.400 2.700 2.528 2.935 . 0 0 "[ . 1 . 2 ]" 3
35 1 2 ALA O 1 96 ILE H 2.200 . 2.400 1.600 1.556 1.691 . 0 0 "[ . 1 . 2 ]" 3
36 1 2 ALA O 1 96 ILE N 3.200 2.500 3.400 2.546 2.494 2.644 0.006 3 0 "[ . 1 . 2 ]" 3
37 1 40 VAL O 1 97 ALA H 2.200 . 2.400 1.928 1.762 2.091 . 0 0 "[ . 1 . 2 ]" 3
38 1 40 VAL O 1 97 ALA N 3.200 2.500 3.400 2.747 2.614 2.896 . 0 0 "[ . 1 . 2 ]" 3
39 1 1 THR O 1 112 THR H 2.200 . 2.400 2.386 2.312 2.415 0.015 4 0 "[ . 1 . 2 ]" 3
40 1 1 THR O 1 112 THR N 3.200 2.500 3.400 3.271 3.187 3.342 . 0 0 "[ . 1 . 2 ]" 3
41 1 113 LEU H 1 158 TRP O 2.200 . 2.400 2.180 1.936 2.399 . 0 0 "[ . 1 . 2 ]" 3
42 1 113 LEU N 1 158 TRP O 3.200 2.500 3.400 3.063 2.789 3.196 . 0 0 "[ . 1 . 2 ]" 3
43 1 3 PHE O 1 114 LEU H 2.200 . 2.400 1.681 1.625 1.764 . 0 0 "[ . 1 . 2 ]" 3
44 1 3 PHE O 1 114 LEU N 3.200 2.500 3.400 2.558 2.510 2.606 . 0 0 "[ . 1 . 2 ]" 3
45 1 115 VAL H 1 156 GLU O 2.200 . 2.400 2.154 1.991 2.441 0.041 6 0 "[ . 1 . 2 ]" 3
46 1 115 VAL N 1 156 GLU O 3.200 2.500 3.400 3.042 2.871 3.203 . 0 0 "[ . 1 . 2 ]" 3
47 1 5 TRP O 1 116 THR H 2.200 . 2.400 2.341 2.126 2.421 0.021 14 0 "[ . 1 . 2 ]" 3
48 1 5 TRP O 1 116 THR N 3.200 2.500 3.400 3.191 3.008 3.313 . 0 0 "[ . 1 . 2 ]" 3
49 1 117 ARG H 1 154 THR O 2.200 . 2.400 2.217 2.018 2.404 0.004 3 0 "[ . 1 . 2 ]" 3
50 1 117 ARG N 1 154 THR O 3.200 2.500 3.400 3.059 2.887 3.255 . 0 0 "[ . 1 . 2 ]" 3
51 1 7 GLN O 1 118 LEU H 2.400 . 2.600 2.098 1.911 2.277 . 0 0 "[ . 1 . 2 ]" 3
52 1 7 GLN O 1 118 LEU N 3.400 2.700 3.600 3.009 2.834 3.195 . 0 0 "[ . 1 . 2 ]" 3
53 1 119 ALA H 1 152 THR O 2.200 . 2.400 1.908 1.756 2.169 . 0 0 "[ . 1 . 2 ]" 3
54 1 119 ALA N 1 152 THR O 3.200 2.500 3.400 2.818 2.657 3.073 . 0 0 "[ . 1 . 2 ]" 3
55 1 120 GLY H 1 150 ALA O 2.400 . 2.600 2.571 2.427 2.612 0.012 24 0 "[ . 1 . 2 ]" 3
56 1 120 GLY N 1 150 ALA O 3.400 2.700 3.600 3.440 3.261 3.512 . 0 0 "[ . 1 . 2 ]" 3
57 1 137 THR H 1 159 GLN O 2.200 . 2.400 2.362 2.211 2.417 0.017 17 0 "[ . 1 . 2 ]" 3
58 1 137 THR N 1 159 GLN O 3.200 2.500 3.400 3.299 3.156 3.378 . 0 0 "[ . 1 . 2 ]" 3
59 1 139 VAL H 1 157 VAL O 2.200 . 2.400 1.957 1.782 2.093 . 0 0 "[ . 1 . 2 ]" 3
60 1 139 VAL N 1 157 VAL O 3.200 2.500 3.400 2.787 2.627 2.926 . 0 0 "[ . 1 . 2 ]" 3
61 1 142 ARG H 1 155 TYR O 2.200 . 2.400 2.230 2.005 2.396 . 0 0 "[ . 1 . 2 ]" 3
62 1 142 ARG N 1 155 TYR O 3.200 2.500 3.400 3.103 2.899 3.266 . 0 0 "[ . 1 . 2 ]" 3
63 1 144 VAL H 1 153 HIS O 2.200 . 2.400 2.199 2.009 2.305 . 0 0 "[ . 1 . 2 ]" 3
64 1 144 VAL N 1 153 HIS O 3.200 2.500 3.400 3.147 2.974 3.246 . 0 0 "[ . 1 . 2 ]" 3
65 1 144 VAL O 1 153 HIS H 2.200 . 2.400 2.409 2.280 2.427 0.027 24 0 "[ . 1 . 2 ]" 3
66 1 144 VAL O 1 153 HIS N 3.200 2.500 3.400 3.387 3.244 3.410 0.010 3 0 "[ . 1 . 2 ]" 3
67 1 117 ARG O 1 154 THR H 2.200 . 2.400 2.190 1.970 2.381 . 0 0 "[ . 1 . 2 ]" 3
68 1 117 ARG O 1 154 THR N 3.200 2.500 3.400 3.042 2.871 3.240 . 0 0 "[ . 1 . 2 ]" 3
69 1 142 ARG O 1 155 TYR H 2.200 . 2.400 1.873 1.779 2.004 . 0 0 "[ . 1 . 2 ]" 3
70 1 142 ARG O 1 155 TYR N 3.200 2.500 3.400 2.837 2.737 2.959 . 0 0 "[ . 1 . 2 ]" 3
71 1 115 VAL O 1 156 GLU H 2.200 . 2.400 1.962 1.795 2.136 . 0 0 "[ . 1 . 2 ]" 3
72 1 115 VAL O 1 156 GLU N 3.200 2.500 3.400 2.902 2.722 3.068 . 0 0 "[ . 1 . 2 ]" 3
73 1 140 SER O 1 157 VAL H 2.200 . 2.400 1.967 1.701 2.430 0.030 8 0 "[ . 1 . 2 ]" 3
74 1 140 SER O 1 157 VAL N 3.200 2.500 3.400 2.848 2.633 2.973 . 0 0 "[ . 1 . 2 ]" 3
75 1 113 LEU O 1 158 TRP H 2.200 . 2.400 1.778 1.623 2.010 . 0 0 "[ . 1 . 2 ]" 3
76 1 113 LEU O 1 158 TRP N 3.200 2.500 3.400 2.712 2.584 2.899 . 0 0 "[ . 1 . 2 ]" 3
77 1 137 THR O 1 159 GLN H 2.200 . 2.400 2.182 2.079 2.287 . 0 0 "[ . 1 . 2 ]" 3
78 1 137 THR O 1 159 GLN N 3.200 2.500 3.400 3.047 2.938 3.123 . 0 0 "[ . 1 . 2 ]" 3
79 1 111 ASP O 1 160 LYS H 2.200 . 2.400 2.305 2.026 2.411 0.011 21 0 "[ . 1 . 2 ]" 3
80 1 111 ASP O 1 160 LYS N 3.200 2.500 3.400 3.202 2.917 3.339 . 0 0 "[ . 1 . 2 ]" 3
81 1 23 LEU O 1 26 ASP H 2.300 . 2.500 2.469 2.276 2.505 0.005 11 0 "[ . 1 . 2 ]" 3
82 1 23 LEU O 1 26 ASP N 3.300 2.600 3.500 3.247 3.079 3.306 . 0 0 "[ . 1 . 2 ]" 3
83 1 23 LEU O 1 27 LEU H 2.300 . 2.500 2.471 2.356 2.511 0.011 7 0 "[ . 1 . 2 ]" 3
84 1 23 LEU O 1 27 LEU N 3.300 2.600 3.500 3.397 3.271 3.449 . 0 0 "[ . 1 . 2 ]" 3
85 1 24 PRO O 1 28 HIS H 2.300 . 2.500 2.326 2.133 2.500 . 0 0 "[ . 1 . 2 ]" 3
86 1 24 PRO O 1 28 HIS N 3.300 2.600 3.500 3.290 3.096 3.473 . 0 0 "[ . 1 . 2 ]" 3
87 1 25 ASP O 1 29 TYR H 2.300 . 2.500 2.501 2.399 2.513 0.013 5 0 "[ . 1 . 2 ]" 3
88 1 25 ASP O 1 29 TYR N 3.300 2.600 3.500 3.364 3.262 3.401 . 0 0 "[ . 1 . 2 ]" 3
89 1 26 ASP O 1 30 PHE H 2.300 . 2.500 2.012 1.873 2.155 . 0 0 "[ . 1 . 2 ]" 3
90 1 26 ASP O 1 30 PHE N 3.300 2.600 3.500 2.887 2.757 3.009 . 0 0 "[ . 1 . 2 ]" 3
91 1 28 HIS O 1 32 ALA H 2.300 . 2.500 1.955 1.788 2.093 . 0 0 "[ . 1 . 2 ]" 3
92 1 28 HIS O 1 32 ALA N 3.300 2.600 3.500 2.863 2.717 3.004 . 0 0 "[ . 1 . 2 ]" 3
93 1 29 TYR O 1 33 GLN H 2.300 . 2.500 2.078 1.919 2.275 . 0 0 "[ . 1 . 2 ]" 3
94 1 29 TYR O 1 33 GLN N 3.300 2.600 3.500 2.948 2.811 3.101 . 0 0 "[ . 1 . 2 ]" 3
95 1 42 GLY O 1 46 TYR H 2.300 . 2.500 1.991 1.810 2.148 . 0 0 "[ . 1 . 2 ]" 3
96 1 42 GLY O 1 46 TYR N 3.300 2.600 3.500 2.940 2.775 3.077 . 0 0 "[ . 1 . 2 ]" 3
97 1 43 ARG O 1 47 GLU H 2.300 . 2.500 2.398 2.233 2.505 0.005 1 0 "[ . 1 . 2 ]" 3
98 1 43 ARG O 1 47 GLU N 3.300 2.600 3.500 3.227 3.051 3.366 . 0 0 "[ . 1 . 2 ]" 3
99 1 44 ARG O 1 48 SER H 2.300 . 2.500 2.510 2.471 2.524 0.024 4 0 "[ . 1 . 2 ]" 3
100 1 44 ARG O 1 48 SER N 3.300 2.600 3.500 3.102 3.031 3.153 . 0 0 "[ . 1 . 2 ]" 3
101 1 45 THR O 1 49 PHE H 2.300 . 2.500 1.893 1.779 2.188 . 0 0 "[ . 1 . 2 ]" 3
102 1 45 THR O 1 49 PHE N 3.300 2.600 3.500 2.669 2.591 2.840 0.009 19 0 "[ . 1 . 2 ]" 3
103 1 78 ASP O 1 81 ALA H 2.300 . 2.500 1.827 1.796 1.899 . 0 0 "[ . 1 . 2 ]" 3
104 1 78 ASP O 1 81 ALA N 3.300 2.600 3.500 2.601 2.583 2.644 0.017 19 0 "[ . 1 . 2 ]" 3
105 1 78 ASP O 1 82 VAL H 2.300 . 2.500 2.511 2.479 2.527 0.027 14 0 "[ . 1 . 2 ]" 3
106 1 78 ASP O 1 82 VAL N 3.300 2.600 3.500 3.432 3.406 3.451 . 0 0 "[ . 1 . 2 ]" 3
107 1 79 VAL O 1 83 PHE H 2.300 . 2.500 2.079 1.955 2.312 . 0 0 "[ . 1 . 2 ]" 3
108 1 79 VAL O 1 83 PHE N 3.300 2.600 3.500 3.028 2.919 3.245 . 0 0 "[ . 1 . 2 ]" 3
109 1 80 ALA O 1 84 ALA H 2.300 . 2.500 2.494 2.386 2.512 0.012 11 0 "[ . 1 . 2 ]" 3
110 1 80 ALA O 1 84 ALA N 3.300 2.600 3.500 3.325 3.200 3.438 . 0 0 "[ . 1 . 2 ]" 3
111 1 81 ALA O 1 85 TYR H 2.300 . 2.500 2.470 2.322 2.508 0.008 12 0 "[ . 1 . 2 ]" 3
112 1 81 ALA O 1 85 TYR N 3.300 2.600 3.500 3.328 3.193 3.457 . 0 0 "[ . 1 . 2 ]" 3
113 1 82 VAL O 1 86 ALA H 2.300 . 2.500 2.474 2.360 2.514 0.014 4 0 "[ . 1 . 2 ]" 3
114 1 82 VAL O 1 86 ALA N 3.300 2.600 3.500 3.441 3.312 3.490 . 0 0 "[ . 1 . 2 ]" 3
115 1 83 PHE O 1 87 LYS H 2.300 . 2.500 2.280 2.006 2.508 0.008 9 0 "[ . 1 . 2 ]" 3
116 1 83 PHE O 1 87 LYS N 3.300 2.600 3.500 3.225 2.969 3.430 . 0 0 "[ . 1 . 2 ]" 3
117 1 84 ALA O 1 88 GLN H 2.300 . 2.500 2.229 1.904 2.528 0.028 11 0 "[ . 1 . 2 ]" 3
118 1 84 ALA O 1 88 GLN N 3.300 2.600 3.500 2.991 2.718 3.279 . 0 0 "[ . 1 . 2 ]" 3
119 1 85 TYR O 1 89 HIS H 2.300 . 2.500 1.971 1.739 2.424 . 0 0 "[ . 1 . 2 ]" 3
120 1 85 TYR O 1 89 HIS N 3.300 2.600 3.500 2.785 2.671 2.914 . 0 0 "[ . 1 . 2 ]" 3
121 1 99 GLY O 1 102 ILE H 2.300 . 2.500 2.528 2.518 2.534 0.034 6 0 "[ . 1 . 2 ]" 3
122 1 99 GLY O 1 102 ILE N 3.300 2.600 3.500 3.187 3.160 3.214 . 0 0 "[ . 1 . 2 ]" 3
123 1 99 GLY O 1 103 PHE H 2.300 . 2.500 2.397 2.294 2.478 . 0 0 "[ . 1 . 2 ]" 3
124 1 99 GLY O 1 103 PHE N 3.300 2.600 3.500 3.235 3.143 3.304 . 0 0 "[ . 1 . 2 ]" 3
125 1 100 ALA O 1 104 THR H 2.300 . 2.500 2.356 2.252 2.463 . 0 0 "[ . 1 . 2 ]" 3
126 1 100 ALA O 1 104 THR N 3.300 2.600 3.500 3.150 2.982 3.270 . 0 0 "[ . 1 . 2 ]" 3
127 1 101 GLN O 1 105 ALA H 2.300 . 2.500 2.511 2.458 2.524 0.024 13 0 "[ . 1 . 2 ]" 3
128 1 101 GLN O 1 105 ALA N 3.300 2.600 3.500 3.489 3.435 3.505 0.005 7 0 "[ . 1 . 2 ]" 3
129 1 102 ILE O 1 106 PHE H 2.300 . 2.500 2.459 2.340 2.514 0.014 16 0 "[ . 1 . 2 ]" 3
130 1 102 ILE O 1 106 PHE N 3.300 2.600 3.500 3.329 3.237 3.397 . 0 0 "[ . 1 . 2 ]" 3
131 1 103 PHE O 1 107 LYS H 2.300 . 2.500 2.488 2.250 2.529 0.029 22 0 "[ . 1 . 2 ]" 3
132 1 103 PHE O 1 107 LYS N 3.300 2.600 3.500 2.950 2.887 3.008 . 0 0 "[ . 1 . 2 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 188
_Distance_constraint_stats_list.Viol_total 2226.579
_Distance_constraint_stats_list.Viol_max 1.963
_Distance_constraint_stats_list.Viol_rms 0.3685
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0840
_Distance_constraint_stats_list.Viol_average_violations_only 0.4935
_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 8 ASP 1.244 0.149 9 0 "[ . 1 . 2 ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 GLY 0.013 0.013 5 0 "[ . 1 . 2 ]"
1 12 LEU 1.244 0.149 9 0 "[ . 1 . 2 ]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 GLY 0.668 0.053 5 0 "[ . 1 . 2 ]"
1 15 LYS 0.136 0.022 22 0 "[ . 1 . 2 ]"
1 18 HIS 0.136 0.022 22 0 "[ . 1 . 2 ]"
1 26 ASP 86.655 1.963 6 24 [*****+*************-****]
1 30 PHE 0.090 0.009 18 0 "[ . 1 . 2 ]"
1 31 ARG 2.953 0.239 9 0 "[ . 1 . 2 ]"
1 32 ALA 2.953 0.239 9 0 "[ . 1 . 2 ]"
1 34 THR 3.053 0.239 9 0 "[ . 1 . 2 ]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LYS 0.011 0.011 24 0 "[ . 1 . 2 ]"
1 40 VAL 0.779 0.046 3 0 "[ . 1 . 2 ]"
1 54 LEU 0.004 0.002 6 0 "[ . 1 . 2 ]"
1 57 ARG 0.004 0.002 6 0 "[ . 1 . 2 ]"
1 70 ALA 0.001 0.001 24 0 "[ . 1 . 2 ]"
1 73 ALA 0.001 0.001 24 0 "[ . 1 . 2 ]"
1 89 HIS 0.019 0.013 8 0 "[ . 1 . 2 ]"
1 92 GLN 0.019 0.013 8 0 "[ . 1 . 2 ]"
1 98 GLY 0.779 0.046 3 0 "[ . 1 . 2 ]"
1 116 THR 86.655 1.963 6 24 [*****+*************-****]
1 118 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 126 THR 0.668 0.053 5 0 "[ . 1 . 2 ]"
1 128 MET 0.013 0.013 5 0 "[ . 1 . 2 ]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 132 ASN 0.201 0.017 22 0 "[ . 1 . 2 ]"
1 133 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 135 ASP 0.201 0.017 22 0 "[ . 1 . 2 ]"
1 136 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 140 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 148 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 149 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 151 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 152 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 157 VAL 0.000 0.000 . 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 8 ASP H 1 12 LEU O 2.400 . 2.900 2.800 2.603 2.919 0.019 13 0 "[ . 1 . 2 ]" 4
2 1 8 ASP N 1 12 LEU O 3.400 2.700 3.900 3.589 3.405 3.694 . 0 0 "[ . 1 . 2 ]" 4
3 1 9 ARG H 1 118 LEU O 2.400 . 2.900 2.466 2.306 2.594 . 0 0 "[ . 1 . 2 ]" 4
4 1 9 ARG N 1 118 LEU O 3.400 2.700 3.900 3.079 2.902 3.242 . 0 0 "[ . 1 . 2 ]" 4
5 1 8 ASP O 1 11 GLY H 2.400 . 2.900 2.548 2.379 2.728 . 0 0 "[ . 1 . 2 ]" 4
6 1 8 ASP O 1 11 GLY N 3.400 2.700 3.900 3.118 2.992 3.251 . 0 0 "[ . 1 . 2 ]" 4
7 1 8 ASP OD1 1 12 LEU H 2.400 . 2.900 1.990 1.641 2.374 . 0 0 "[ . 1 . 2 ]" 4
8 1 8 ASP OD1 1 12 LEU N 3.400 2.700 3.900 2.823 2.551 3.140 0.149 9 0 "[ . 1 . 2 ]" 4
9 1 13 ILE H 1 126 THR O 2.400 . 2.900 2.441 2.130 2.792 . 0 0 "[ . 1 . 2 ]" 4
10 1 13 ILE N 1 126 THR O 3.400 2.700 3.900 3.376 3.098 3.700 . 0 0 "[ . 1 . 2 ]" 4
11 1 14 GLY H 1 126 THR O 2.400 . 2.900 2.849 2.400 2.953 0.053 5 0 "[ . 1 . 2 ]" 4
12 1 14 GLY N 1 126 THR O 3.400 2.700 3.900 3.667 3.254 3.811 . 0 0 "[ . 1 . 2 ]" 4
13 1 15 LYS H 1 18 HIS O 2.400 . 2.900 2.879 2.778 2.922 0.022 22 0 "[ . 1 . 2 ]" 4
14 1 15 LYS N 1 18 HIS O 3.400 2.700 3.900 3.599 3.471 3.774 . 0 0 "[ . 1 . 2 ]" 4
15 1 31 ARG O 1 34 THR H 2.400 . 2.900 1.932 1.658 2.404 . 0 0 "[ . 1 . 2 ]" 4
16 1 31 ARG O 1 34 THR N 3.400 2.700 3.900 2.623 2.461 2.891 0.239 9 0 "[ . 1 . 2 ]" 4
17 1 31 ARG O 1 35 VAL H 2.400 . 2.900 2.422 2.364 2.531 . 0 0 "[ . 1 . 2 ]" 4
18 1 31 ARG O 1 35 VAL N 3.400 2.700 3.900 2.928 2.823 3.025 . 0 0 "[ . 1 . 2 ]" 4
19 1 34 THR O 1 37 LYS H 2.400 . 2.900 2.645 2.504 2.911 0.011 24 0 "[ . 1 . 2 ]" 4
20 1 34 THR O 1 37 LYS N 3.400 2.700 3.900 3.601 3.471 3.858 . 0 0 "[ . 1 . 2 ]" 4
21 1 54 LEU O 1 57 ARG H 2.500 . 3.000 2.808 2.437 3.002 0.002 6 0 "[ . 1 . 2 ]" 4
22 1 54 LEU O 1 57 ARG N 3.500 2.800 4.000 3.539 3.069 3.803 . 0 0 "[ . 1 . 2 ]" 4
23 1 70 ALA O 1 73 ALA H 2.400 . 2.900 2.668 2.483 2.901 0.001 24 0 "[ . 1 . 2 ]" 4
24 1 70 ALA O 1 73 ALA N 3.400 2.700 3.900 3.477 3.304 3.638 . 0 0 "[ . 1 . 2 ]" 4
25 1 89 HIS O 1 92 GLN H 2.400 . 2.900 2.788 2.649 2.913 0.013 8 0 "[ . 1 . 2 ]" 4
26 1 89 HIS O 1 92 GLN N 3.400 2.700 3.900 3.745 3.612 3.863 . 0 0 "[ . 1 . 2 ]" 4
27 1 40 VAL O 1 98 GLY H 2.400 . 2.900 2.932 2.914 2.946 0.046 3 0 "[ . 1 . 2 ]" 4
28 1 40 VAL O 1 98 GLY N 3.400 2.700 3.900 3.401 3.225 3.551 . 0 0 "[ . 1 . 2 ]" 4
29 1 11 GLY O 1 128 MET H 2.400 . 2.900 2.634 2.156 2.913 0.013 5 0 "[ . 1 . 2 ]" 4
30 1 11 GLY O 1 128 MET N 3.400 2.700 3.900 3.555 3.109 3.798 . 0 0 "[ . 1 . 2 ]" 4
31 1 131 LEU O 1 133 TRP H 2.400 . 2.900 2.432 2.284 2.536 . 0 0 "[ . 1 . 2 ]" 4
32 1 131 LEU O 1 133 TRP N 3.400 2.700 3.900 3.207 3.079 3.297 . 0 0 "[ . 1 . 2 ]" 4
33 1 132 ASN O 1 135 ASP H 2.400 . 2.900 1.804 1.767 1.844 . 0 0 "[ . 1 . 2 ]" 4
34 1 132 ASN O 1 135 ASP N 3.400 2.700 3.900 2.692 2.683 2.703 0.017 22 0 "[ . 1 . 2 ]" 4
35 1 132 ASN O 1 136 PHE H 2.400 . 2.900 2.707 2.554 2.871 . 0 0 "[ . 1 . 2 ]" 4
36 1 132 ASN O 1 136 PHE N 3.400 2.700 3.900 3.384 3.270 3.510 . 0 0 "[ . 1 . 2 ]" 4
37 1 140 SER H 1 157 VAL O 2.400 . 2.900 2.519 2.253 2.698 . 0 0 "[ . 1 . 2 ]" 4
38 1 140 SER N 1 157 VAL O 3.400 2.700 3.900 3.491 3.227 3.673 . 0 0 "[ . 1 . 2 ]" 4
39 1 148 ASN O 1 151 LEU H 2.400 . 2.900 2.468 2.303 2.765 . 0 0 "[ . 1 . 2 ]" 4
40 1 148 ASN O 1 151 LEU N 3.400 2.700 3.900 2.989 2.842 3.244 . 0 0 "[ . 1 . 2 ]" 4
41 1 149 PRO O 1 152 THR H 2.400 . 2.900 2.681 2.579 2.766 . 0 0 "[ . 1 . 2 ]" 4
42 1 149 PRO O 1 152 THR N 3.400 2.700 3.900 3.605 3.497 3.703 . 0 0 "[ . 1 . 2 ]" 4
43 1 30 PHE O 1 34 THR HG1 2.400 . 2.600 2.135 1.747 2.605 0.005 7 0 "[ . 1 . 2 ]" 4
44 1 30 PHE O 1 34 THR OG1 3.400 2.700 3.600 2.767 2.691 2.979 0.009 18 0 "[ . 1 . 2 ]" 4
45 1 26 ASP OD2 1 116 THR HG1 2.400 . 2.600 4.462 4.332 4.563 1.963 6 24 [*****+*************-****] 4
46 1 26 ASP OD2 1 116 THR OG1 3.400 2.700 3.600 5.349 5.214 5.483 1.883 6 24 [*****+*************-****] 4
stop_
save_
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