NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376029 |
1f95   |
4911 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1f95
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 3309
_Distance_constraint_stats_list.Viol_count 228
_Distance_constraint_stats_list.Viol_total 8.867
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0389
_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 MET 0.000 0.000 . 0 "[ ]"
1 2 CYS 0.000 0.000 . 0 "[ ]"
1 3 ASP 0.000 0.000 . 0 "[ ]"
1 4 ARG 0.000 0.000 . 0 "[ ]"
1 5 LYS 0.043 0.031 1 0 "[ ]"
1 6 ALA 0.032 0.025 1 0 "[ ]"
1 7 VAL 0.000 0.000 . 0 "[ ]"
1 8 ILE 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.002 0.002 1 0 "[ ]"
1 10 ASN 0.114 0.064 1 0 "[ ]"
1 11 ALA 0.064 0.064 1 0 "[ ]"
1 12 ASP 0.110 0.060 1 0 "[ ]"
1 13 MET 0.014 0.011 1 0 "[ ]"
1 14 SER 0.000 0.000 . 0 "[ ]"
1 15 GLU 0.021 0.021 1 0 "[ ]"
1 16 GLU 0.032 0.024 1 0 "[ ]"
1 17 MET 0.067 0.056 1 0 "[ ]"
1 18 GLN 0.094 0.047 1 0 "[ ]"
1 19 GLN 0.171 0.084 1 0 "[ ]"
1 20 ASP 0.090 0.084 1 0 "[ ]"
1 21 SER 0.000 0.000 . 0 "[ ]"
1 22 VAL 0.110 0.053 1 0 "[ ]"
1 23 GLU 0.124 0.049 1 0 "[ ]"
1 24 CYS 0.047 0.023 1 0 "[ ]"
1 25 ALA 0.150 0.059 1 0 "[ ]"
1 26 THR 0.127 0.059 1 0 "[ ]"
1 27 GLN 0.103 0.038 1 0 "[ ]"
1 28 ALA 0.043 0.024 1 0 "[ ]"
1 29 LEU 0.045 0.045 1 0 "[ ]"
1 30 GLU 0.058 0.045 1 0 "[ ]"
1 31 LYS 0.130 0.078 1 0 "[ ]"
1 32 TYR 0.179 0.078 1 0 "[ ]"
1 33 ASN 0.041 0.035 1 0 "[ ]"
1 34 ILE 0.150 0.054 1 0 "[ ]"
1 35 GLU 0.029 0.029 1 0 "[ ]"
1 36 LYS 0.049 0.049 1 0 "[ ]"
1 37 ASP 0.086 0.086 1 0 "[ ]"
1 38 ILE 0.120 0.086 1 0 "[ ]"
1 39 ALA 0.048 0.048 1 0 "[ ]"
1 40 ALA 0.076 0.052 1 0 "[ ]"
1 41 HIS 0.313 0.155 1 0 "[ ]"
1 42 ILE 0.242 0.155 1 0 "[ ]"
1 43 LYS 0.000 0.000 . 0 "[ ]"
1 44 LYS 0.029 0.027 1 0 "[ ]"
1 45 GLU 0.072 0.030 1 0 "[ ]"
1 46 PHE 0.118 0.114 1 0 "[ ]"
1 47 ASP 0.217 0.114 1 0 "[ ]"
1 48 LYS 0.286 0.091 1 0 "[ ]"
1 49 LYS 0.143 0.045 1 0 "[ ]"
1 50 TYR 0.211 0.078 1 0 "[ ]"
1 51 ASN 0.094 0.094 1 0 "[ ]"
1 52 PRO 0.102 0.094 1 0 "[ ]"
1 53 THR 0.131 0.056 1 0 "[ ]"
1 54 TRP 0.390 0.080 1 0 "[ ]"
1 55 HIS 0.118 0.041 1 0 "[ ]"
1 56 CYS 0.040 0.040 1 0 "[ ]"
1 57 ILE 0.137 0.114 1 0 "[ ]"
1 58 VAL 0.162 0.114 1 0 "[ ]"
1 59 GLY 0.051 0.048 1 0 "[ ]"
1 60 ARG 0.207 0.060 1 0 "[ ]"
1 61 ASN 0.060 0.060 1 0 "[ ]"
1 62 PHE 0.121 0.066 1 0 "[ ]"
1 63 GLY 0.078 0.078 1 0 "[ ]"
1 64 SER 0.082 0.050 1 0 "[ ]"
1 65 TYR 0.218 0.083 1 0 "[ ]"
1 66 VAL 0.082 0.066 1 0 "[ ]"
1 67 THR 0.073 0.073 1 0 "[ ]"
1 68 HIS 0.210 0.073 1 0 "[ ]"
1 69 GLU 0.011 0.011 1 0 "[ ]"
1 70 THR 0.124 0.092 1 0 "[ ]"
1 71 LYS 0.011 0.011 1 0 "[ ]"
1 72 HIS 0.170 0.092 1 0 "[ ]"
1 73 PHE 0.125 0.080 1 0 "[ ]"
1 74 ILE 0.040 0.022 1 0 "[ ]"
1 75 TYR 0.060 0.060 1 0 "[ ]"
1 76 PHE 0.164 0.049 1 0 "[ ]"
1 77 TYR 0.102 0.075 1 0 "[ ]"
1 78 LEU 0.098 0.051 1 0 "[ ]"
1 79 GLY 0.000 0.000 . 0 "[ ]"
1 80 GLN 0.000 0.000 . 0 "[ ]"
1 81 VAL 0.272 0.113 1 0 "[ ]"
1 82 ALA 0.000 0.000 . 0 "[ ]"
1 83 ILE 0.005 0.003 1 0 "[ ]"
1 84 LEU 0.048 0.048 1 0 "[ ]"
1 85 LEU 0.149 0.046 1 0 "[ ]"
1 86 PHE 0.027 0.015 1 0 "[ ]"
1 87 LYS 0.079 0.029 1 0 "[ ]"
1 88 SER 0.011 0.011 1 0 "[ ]"
1 89 GLY 0.098 0.067 1 0 "[ ]"
2 1 MET 0.000 0.000 . 0 "[ ]"
2 2 CYS 0.000 0.000 . 0 "[ ]"
2 3 ASP 0.000 0.000 . 0 "[ ]"
2 4 ARG 0.032 0.024 1 0 "[ ]"
2 5 LYS 0.000 0.000 . 0 "[ ]"
2 6 ALA 0.066 0.049 1 0 "[ ]"
2 7 VAL 0.001 0.001 1 0 "[ ]"
2 8 ILE 0.019 0.019 1 0 "[ ]"
2 9 LYS 0.008 0.005 1 0 "[ ]"
2 10 ASN 0.121 0.083 1 0 "[ ]"
2 11 ALA 0.000 0.000 . 0 "[ ]"
2 12 ASP 0.101 0.050 1 0 "[ ]"
2 13 MET 0.012 0.012 1 0 "[ ]"
2 14 SER 0.000 0.000 . 0 "[ ]"
2 15 GLU 0.033 0.033 1 0 "[ ]"
2 16 GLU 0.034 0.017 1 0 "[ ]"
2 17 MET 0.096 0.079 1 0 "[ ]"
2 18 GLN 0.102 0.050 1 0 "[ ]"
2 19 GLN 0.225 0.086 1 0 "[ ]"
2 20 ASP 0.090 0.086 1 0 "[ ]"
2 21 SER 0.000 0.000 . 0 "[ ]"
2 22 VAL 0.134 0.054 1 0 "[ ]"
2 23 GLU 0.167 0.063 1 0 "[ ]"
2 24 CYS 0.038 0.021 1 0 "[ ]"
2 25 ALA 0.162 0.065 1 0 "[ ]"
2 26 THR 0.139 0.065 1 0 "[ ]"
2 27 GLN 0.106 0.055 1 0 "[ ]"
2 28 ALA 0.026 0.015 1 0 "[ ]"
2 29 LEU 0.086 0.082 1 0 "[ ]"
2 30 GLU 0.142 0.082 1 0 "[ ]"
2 31 LYS 0.128 0.057 1 0 "[ ]"
2 32 TYR 0.112 0.057 1 0 "[ ]"
2 33 ASN 0.017 0.017 1 0 "[ ]"
2 34 ILE 0.221 0.103 1 0 "[ ]"
2 35 GLU 0.000 0.000 . 0 "[ ]"
2 36 LYS 0.181 0.103 1 0 "[ ]"
2 37 ASP 0.068 0.042 1 0 "[ ]"
2 38 ILE 0.057 0.042 1 0 "[ ]"
2 39 ALA 0.048 0.048 1 0 "[ ]"
2 40 ALA 0.134 0.083 1 0 "[ ]"
2 41 HIS 0.290 0.171 1 0 "[ ]"
2 42 ILE 0.254 0.171 1 0 "[ ]"
2 43 LYS 0.000 0.000 . 0 "[ ]"
2 44 LYS 0.053 0.038 1 0 "[ ]"
2 45 GLU 0.105 0.053 1 0 "[ ]"
2 46 PHE 0.097 0.094 1 0 "[ ]"
2 47 ASP 0.169 0.094 1 0 "[ ]"
2 48 LYS 0.171 0.053 1 0 "[ ]"
2 49 LYS 0.184 0.070 1 0 "[ ]"
2 50 TYR 0.230 0.070 1 0 "[ ]"
2 51 ASN 0.174 0.124 1 0 "[ ]"
2 52 PRO 0.171 0.124 1 0 "[ ]"
2 53 THR 0.132 0.062 1 0 "[ ]"
2 54 TRP 0.456 0.079 1 0 "[ ]"
2 55 HIS 0.096 0.035 1 0 "[ ]"
2 56 CYS 0.050 0.050 1 0 "[ ]"
2 57 ILE 0.185 0.085 1 0 "[ ]"
2 58 VAL 0.180 0.085 1 0 "[ ]"
2 59 GLY 0.061 0.035 1 0 "[ ]"
2 60 ARG 0.166 0.066 1 0 "[ ]"
2 61 ASN 0.042 0.042 1 0 "[ ]"
2 62 PHE 0.068 0.059 1 0 "[ ]"
2 63 GLY 0.029 0.029 1 0 "[ ]"
2 64 SER 0.040 0.040 1 0 "[ ]"
2 65 TYR 0.147 0.052 1 0 "[ ]"
2 66 VAL 0.101 0.056 1 0 "[ ]"
2 67 THR 0.067 0.067 1 0 "[ ]"
2 68 HIS 0.257 0.092 1 0 "[ ]"
2 69 GLU 0.004 0.004 1 0 "[ ]"
2 70 THR 0.114 0.080 1 0 "[ ]"
2 71 LYS 0.012 0.012 1 0 "[ ]"
2 72 HIS 0.137 0.080 1 0 "[ ]"
2 73 PHE 0.122 0.072 1 0 "[ ]"
2 74 ILE 0.019 0.019 1 0 "[ ]"
2 75 TYR 0.027 0.023 1 0 "[ ]"
2 76 PHE 0.426 0.098 1 0 "[ ]"
2 77 TYR 0.176 0.098 1 0 "[ ]"
2 78 LEU 0.074 0.035 1 0 "[ ]"
2 79 GLY 0.000 0.000 . 0 "[ ]"
2 80 GLN 0.021 0.021 1 0 "[ ]"
2 81 VAL 0.262 0.164 1 0 "[ ]"
2 82 ALA 0.196 0.164 1 0 "[ ]"
2 83 ILE 0.061 0.035 1 0 "[ ]"
2 84 LEU 0.035 0.035 1 0 "[ ]"
2 85 LEU 0.130 0.063 1 0 "[ ]"
2 86 PHE 0.030 0.030 1 0 "[ ]"
2 87 LYS 0.073 0.034 1 0 "[ ]"
2 88 SER 0.004 0.004 1 0 "[ ]"
2 89 GLY 0.121 0.092 1 0 "[ ]"
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 ILE QG 1 9 LYS H 0.000 . 6.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
2 1 8 ILE QG 1 76 PHE H 0.000 . 6.000 5.638 5.638 5.638 . 0 0 "[ ]" 1
3 1 12 ASP H 1 74 ILE QG 0.000 . 6.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
4 1 22 VAL H 1 74 ILE QG 0.000 . 6.000 5.662 5.662 5.662 . 0 0 "[ ]" 1
5 1 25 ALA H 1 42 ILE QG 0.000 . 6.000 4.242 4.242 4.242 . 0 0 "[ ]" 1
6 1 28 ALA H 1 42 ILE QG 0.000 . 4.500 4.213 4.213 4.213 . 0 0 "[ ]" 1
7 1 32 TYR H 1 38 ILE QG 0.000 . 6.000 4.831 4.831 4.831 . 0 0 "[ ]" 1
8 1 33 ASN H 1 34 ILE QG 0.000 . 6.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
9 1 34 ILE H 1 34 ILE QG 0.000 . 4.500 3.406 3.406 3.406 . 0 0 "[ ]" 1
10 1 34 ILE QG 1 35 GLU H 0.000 . 6.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
11 1 34 ILE QG 1 36 LYS H 0.000 . 6.000 4.819 4.819 4.819 . 0 0 "[ ]" 1
12 1 34 ILE H 1 38 ILE QG 0.000 . 4.500 3.344 3.344 3.344 . 0 0 "[ ]" 1
13 1 37 ASP H 1 38 ILE QG 0.000 . 6.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
14 1 38 ILE QG 1 39 ALA H 0.000 . 6.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
15 1 41 HIS H 1 42 ILE QG 0.000 . 6.000 4.156 4.156 4.156 . 0 0 "[ ]" 1
16 1 42 ILE H 1 42 ILE QG 0.000 . 4.500 2.082 2.082 2.082 . 0 0 "[ ]" 1
17 1 56 CYS H 1 57 ILE QG 0.000 . 6.000 4.305 4.305 4.305 . 0 0 "[ ]" 1
18 1 57 ILE QG 1 58 VAL H 0.000 . 6.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
19 1 59 GLY H 1 83 ILE QG 0.000 . 6.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
20 1 74 ILE QG 1 76 PHE H 0.000 . 6.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
21 1 74 ILE QG 1 75 TYR H 0.000 . 6.000 2.148 2.148 2.148 . 0 0 "[ ]" 1
22 1 76 PHE H 1 83 ILE QG 0.000 . 6.000 5.144 5.144 5.144 . 0 0 "[ ]" 1
23 1 83 ILE QG 1 84 LEU H 0.000 . 6.000 4.294 4.294 4.294 . 0 0 "[ ]" 1
24 1 2 CYS HA 1 3 ASP H 0.000 . 5.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
25 1 3 ASP HA 1 4 ARG H 0.000 . 3.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
26 1 3 ASP QB 1 4 ARG H 0.000 . 6.000 1.864 1.864 1.864 . 0 0 "[ ]" 1
27 1 4 ARG HA 1 5 LYS H 0.000 . 2.900 2.710 2.710 2.710 . 0 0 "[ ]" 1
28 1 5 LYS H 1 5 LYS HA 0.000 . 2.900 2.912 2.912 2.912 0.012 1 0 "[ ]" 1
29 1 5 LYS HA 1 6 ALA H 0.000 . 3.500 2.162 2.162 2.162 . 0 0 "[ ]" 1
30 1 5 LYS HA 1 79 GLY H 0.000 . 5.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
31 1 5 LYS H 1 5 LYS QB 0.000 . 3.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
32 1 5 LYS QB 1 6 ALA H 0.000 . 4.500 3.050 3.050 3.050 . 0 0 "[ ]" 1
33 1 5 LYS QB 1 79 GLY H 0.000 . 6.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
34 1 5 LYS QD 1 6 ALA H 0.000 . 4.500 3.823 3.823 3.823 . 0 0 "[ ]" 1
35 1 5 LYS QG 1 6 ALA H 0.000 . 6.000 4.607 4.607 4.607 . 0 0 "[ ]" 1
36 1 5 LYS H 1 6 ALA H 0.000 . 5.000 4.513 4.513 4.513 . 0 0 "[ ]" 1
37 1 5 LYS H 1 78 LEU QB 0.000 . 6.000 5.820 5.820 5.820 . 0 0 "[ ]" 1
38 1 5 LYS H 1 78 LEU MD1 0.000 . 6.500 3.173 3.173 3.173 . 0 0 "[ ]" 1
39 1 5 LYS H 1 78 LEU HG 0.000 . 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 1
40 1 5 LYS H 1 79 GLY H 0.000 . 5.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
41 1 6 ALA HA 1 7 VAL H 0.000 . 2.900 2.244 2.244 2.244 . 0 0 "[ ]" 1
42 1 6 ALA HA 1 77 TYR H 0.000 . 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 1
43 1 6 ALA HA 1 79 GLY H 0.000 . 5.000 3.695 3.695 3.695 . 0 0 "[ ]" 1
44 1 6 ALA MB 1 7 VAL H 0.000 . 4.400 2.814 2.814 2.814 . 0 0 "[ ]" 1
45 1 6 ALA MB 1 8 ILE H 0.000 . 6.500 3.894 3.894 3.894 . 0 0 "[ ]" 1
46 1 6 ALA MB 1 77 TYR H 0.000 . 6.500 5.239 5.239 5.239 . 0 0 "[ ]" 1
47 1 6 ALA H 1 7 VAL H 0.000 . 5.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
48 1 6 ALA H 1 22 VAL MG1 0.000 . 6.500 4.735 4.735 4.735 . 0 0 "[ ]" 1
49 1 6 ALA H 1 22 VAL MG2 0.000 . 6.500 6.504 6.504 6.504 0.004 1 0 "[ ]" 1
50 1 6 ALA H 1 78 LEU MD1 0.000 . 5.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
51 1 7 VAL HA 1 8 ILE H 0.000 . 2.900 2.273 2.273 2.273 . 0 0 "[ ]" 1
52 1 7 VAL HA 1 77 TYR H 0.000 . 5.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
53 1 7 VAL H 1 7 VAL HB 0.000 . 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
54 1 7 VAL HB 1 77 TYR H 0.000 . 5.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
55 1 7 VAL MG1 1 8 ILE H 0.000 . 4.400 3.391 3.391 3.391 . 0 0 "[ ]" 1
56 1 7 VAL MG1 1 77 TYR H 0.000 . 6.500 3.663 3.663 3.663 . 0 0 "[ ]" 1
57 1 7 VAL H 1 7 VAL MG2 0.000 . 4.400 2.983 2.983 2.983 . 0 0 "[ ]" 1
58 1 7 VAL MG2 1 77 TYR H 0.000 . 6.500 4.151 4.151 4.151 . 0 0 "[ ]" 1
59 1 7 VAL H 1 8 ILE HA 0.000 . 5.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
60 1 7 VAL H 1 8 ILE H 0.000 . 5.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
61 1 7 VAL H 1 76 PHE QD 0.000 . 7.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
62 1 7 VAL H 1 76 PHE QE 0.000 . 7.000 5.233 5.233 5.233 . 0 0 "[ ]" 1
63 1 7 VAL H 1 77 TYR QB 0.000 . 6.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
64 1 7 VAL H 1 77 TYR H 0.000 . 5.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
65 1 7 VAL H 1 78 LEU HA 0.000 . 5.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
66 1 7 VAL H 1 78 LEU QB 0.000 . 6.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
67 1 7 VAL H 1 78 LEU MD1 0.000 . 6.500 4.112 4.112 4.112 . 0 0 "[ ]" 1
68 1 7 VAL H 1 78 LEU H 0.000 . 5.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
69 1 8 ILE HA 1 9 LYS H 0.000 . 3.500 2.130 2.130 2.130 . 0 0 "[ ]" 1
70 1 8 ILE HA 1 10 ASN H 0.000 . 5.000 3.892 3.892 3.892 . 0 0 "[ ]" 1
71 1 8 ILE HA 1 77 TYR H 0.000 . 5.000 3.863 3.863 3.863 . 0 0 "[ ]" 1
72 1 8 ILE H 1 8 ILE HB 0.000 . 2.900 2.438 2.438 2.438 . 0 0 "[ ]" 1
73 1 8 ILE MD 1 9 LYS H 0.000 . 6.500 4.574 4.574 4.574 . 0 0 "[ ]" 1
74 1 8 ILE MD 1 10 ASN H 0.000 . 6.500 5.961 5.961 5.961 . 0 0 "[ ]" 1
75 1 8 ILE MD 1 77 TYR H 0.000 . 6.500 4.701 4.701 4.701 . 0 0 "[ ]" 1
76 1 8 ILE H 1 8 ILE MG 0.000 . 4.400 3.755 3.755 3.755 . 0 0 "[ ]" 1
77 1 8 ILE MG 1 9 LYS H 0.000 . 6.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
78 1 8 ILE MG 1 10 ASN HD21 0.000 . 6.500 4.838 4.838 4.838 . 0 0 "[ ]" 1
79 1 8 ILE MG 1 10 ASN HD22 0.000 . 6.500 6.210 6.210 6.210 . 0 0 "[ ]" 1
80 1 8 ILE MG 1 10 ASN H 0.000 . 5.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
81 1 8 ILE MG 1 11 ALA H 0.000 . 6.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
82 1 8 ILE MG 1 75 TYR H 0.000 . 6.500 3.916 3.916 3.916 . 0 0 "[ ]" 1
83 1 8 ILE H 1 9 LYS H 0.000 . 5.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
84 1 8 ILE H 1 76 PHE QB 0.000 . 6.000 3.348 3.348 3.348 . 0 0 "[ ]" 1
85 1 8 ILE H 1 77 TYR H 0.000 . 5.000 4.779 4.779 4.779 . 0 0 "[ ]" 1
86 1 9 LYS HA 1 10 ASN H 0.000 . 5.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
87 1 9 LYS QB 1 10 ASN H 0.000 . 4.500 2.450 2.450 2.450 . 0 0 "[ ]" 1
88 1 9 LYS QB 1 75 TYR H 0.000 . 6.000 5.123 5.123 5.123 . 0 0 "[ ]" 1
89 1 9 LYS QB 1 76 PHE H 0.000 . 6.000 5.056 5.056 5.056 . 0 0 "[ ]" 1
90 1 9 LYS H 1 9 LYS QD 0.000 . 6.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
91 1 9 LYS QD 1 10 ASN H 0.000 . 6.000 5.270 5.270 5.270 . 0 0 "[ ]" 1
92 1 9 LYS QE 1 77 TYR H 0.000 . 4.500 4.502 4.502 4.502 0.002 1 0 "[ ]" 1
93 1 9 LYS QG 1 10 ASN H 0.000 . 6.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
94 1 9 LYS QG 1 77 TYR H 0.000 . 6.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
95 1 9 LYS H 1 10 ASN H 0.000 . 2.900 1.990 1.990 1.990 . 0 0 "[ ]" 1
96 1 9 LYS H 1 75 TYR QD 0.000 . 7.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
97 1 9 LYS H 1 75 TYR QE 0.000 . 7.000 5.165 5.165 5.165 . 0 0 "[ ]" 1
98 1 9 LYS H 1 76 PHE HA 0.000 . 5.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
99 1 9 LYS H 1 76 PHE QB 0.000 . 6.000 2.973 2.973 2.973 . 0 0 "[ ]" 1
100 1 9 LYS H 1 76 PHE QD 0.000 . 7.000 4.816 4.816 4.816 . 0 0 "[ ]" 1
101 1 9 LYS H 1 77 TYR QD 0.000 . 7.000 5.509 5.509 5.509 . 0 0 "[ ]" 1
102 1 9 LYS H 1 77 TYR H 0.000 . 5.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
103 1 10 ASN HA 1 10 ASN HD22 0.000 . 5.000 3.305 3.305 3.305 . 0 0 "[ ]" 1
104 1 10 ASN HA 1 11 ALA H 0.000 . 2.900 2.184 2.184 2.184 . 0 0 "[ ]" 1
105 1 10 ASN QB 1 11 ALA H 0.000 . 6.000 2.909 2.909 2.909 . 0 0 "[ ]" 1
106 1 10 ASN QB 1 75 TYR H 0.000 . 6.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
107 1 10 ASN H 1 10 ASN HD21 0.000 . 5.000 3.625 3.625 3.625 . 0 0 "[ ]" 1
108 1 10 ASN HD21 1 11 ALA H 0.000 . 5.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
109 1 10 ASN HD22 1 11 ALA H 0.000 . 5.000 5.064 5.064 5.064 0.064 1 0 "[ ]" 1
110 1 10 ASN H 1 11 ALA MB 0.000 . 6.500 4.293 4.293 4.293 . 0 0 "[ ]" 1
111 1 10 ASN H 1 11 ALA H 0.000 . 5.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
112 1 10 ASN H 1 73 PHE QE 0.000 . 7.000 5.585 5.585 5.585 . 0 0 "[ ]" 1
113 1 10 ASN H 1 74 ILE HA 0.000 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
114 1 10 ASN H 1 75 TYR HA 0.000 . 5.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
115 1 10 ASN H 1 75 TYR QB 0.000 . 4.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
116 1 10 ASN H 1 75 TYR QD 0.000 . 7.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
117 1 10 ASN H 1 75 TYR H 0.000 . 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
118 1 10 ASN H 1 76 PHE HA 0.000 . 5.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
119 1 10 ASN H 1 76 PHE QD 0.000 . 7.000 5.470 5.470 5.470 . 0 0 "[ ]" 1
120 1 10 ASN H 1 76 PHE H 0.000 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
121 1 11 ALA H 1 11 ALA HA 0.000 . 2.900 2.883 2.883 2.883 . 0 0 "[ ]" 1
122 1 11 ALA HA 1 12 ASP H 0.000 . 2.900 2.133 2.133 2.133 . 0 0 "[ ]" 1
123 1 11 ALA HA 1 13 MET H 0.000 . 5.000 4.693 4.693 4.693 . 0 0 "[ ]" 1
124 1 11 ALA HA 1 74 ILE H 0.000 . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 1
125 1 11 ALA HA 1 75 TYR H 0.000 . 5.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
126 1 11 ALA MB 1 12 ASP H 0.000 . 5.000 2.996 2.996 2.996 . 0 0 "[ ]" 1
127 1 11 ALA MB 1 13 MET H 0.000 . 5.000 3.636 3.636 3.636 . 0 0 "[ ]" 1
128 1 11 ALA MB 1 18 GLN HE21 0.000 . 6.500 4.265 4.265 4.265 . 0 0 "[ ]" 1
129 1 11 ALA MB 1 18 GLN HE22 0.000 . 6.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
130 1 11 ALA MB 1 75 TYR H 0.000 . 6.500 3.565 3.565 3.565 . 0 0 "[ ]" 1
131 1 11 ALA H 1 12 ASP H 0.000 . 5.000 4.152 4.152 4.152 . 0 0 "[ ]" 1
132 1 11 ALA H 1 74 ILE HA 0.000 . 5.000 4.319 4.319 4.319 . 0 0 "[ ]" 1
133 1 12 ASP H 1 12 ASP HA 0.000 . 2.900 2.904 2.904 2.904 0.004 1 0 "[ ]" 1
134 1 12 ASP HA 1 13 MET H 0.000 . 2.900 2.419 2.419 2.419 . 0 0 "[ ]" 1
135 1 12 ASP HA 1 73 PHE H 0.000 . 5.000 5.046 5.046 5.046 0.046 1 0 "[ ]" 1
136 1 12 ASP QB 1 13 MET H 0.000 . 6.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
137 1 12 ASP H 1 13 MET QB 0.000 . 6.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
138 1 12 ASP H 1 13 MET ME 0.000 . 6.500 5.109 5.109 5.109 . 0 0 "[ ]" 1
139 1 12 ASP H 1 13 MET H 0.000 . 3.500 3.099 3.099 3.099 . 0 0 "[ ]" 1
140 1 12 ASP H 1 73 PHE HA 0.000 . 5.000 4.793 4.793 4.793 . 0 0 "[ ]" 1
141 1 12 ASP H 1 73 PHE QB 0.000 . 6.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
142 1 12 ASP H 1 73 PHE QD 0.000 . 5.500 3.146 3.146 3.146 . 0 0 "[ ]" 1
143 1 12 ASP H 1 73 PHE H 0.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
144 1 12 ASP H 1 74 ILE HA 0.000 . 5.000 3.079 3.079 3.079 . 0 0 "[ ]" 1
145 1 12 ASP H 1 74 ILE HB 0.000 . 5.000 3.261 3.261 3.261 . 0 0 "[ ]" 1
146 1 12 ASP H 1 74 ILE MD 0.000 . 6.500 4.781 4.781 4.781 . 0 0 "[ ]" 1
147 1 12 ASP H 1 74 ILE H 0.000 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
148 1 12 ASP H 1 75 TYR H 0.000 . 5.000 5.060 5.060 5.060 0.060 1 0 "[ ]" 1
149 1 13 MET H 1 13 MET HA 0.000 . 2.900 2.818 2.818 2.818 . 0 0 "[ ]" 1
150 1 13 MET HA 1 14 SER H 0.000 . 2.900 2.435 2.435 2.435 . 0 0 "[ ]" 1
151 1 13 MET HA 1 71 LYS H 0.000 . 5.000 4.525 4.525 4.525 . 0 0 "[ ]" 1
152 1 13 MET HA 1 72 HIS H 0.000 . 5.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
153 1 13 MET HA 1 73 PHE H 0.000 . 5.000 4.029 4.029 4.029 . 0 0 "[ ]" 1
154 1 13 MET QB 1 14 SER H 0.000 . 6.000 2.375 2.375 2.375 . 0 0 "[ ]" 1
155 1 13 MET QB 1 18 GLN H 0.000 . 6.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
156 1 13 MET QB 1 73 PHE H 0.000 . 4.500 1.894 1.894 1.894 . 0 0 "[ ]" 1
157 1 13 MET ME 1 17 MET H 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
158 1 13 MET ME 1 73 PHE H 0.000 . 5.000 2.993 2.993 2.993 . 0 0 "[ ]" 1
159 1 13 MET ME 1 74 ILE H 0.000 . 5.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
160 1 13 MET QG 1 14 SER H 0.000 . 6.000 3.648 3.648 3.648 . 0 0 "[ ]" 1
161 1 13 MET QG 1 17 MET H 0.000 . 6.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
162 1 13 MET QG 1 18 GLN H 0.000 . 6.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
163 1 13 MET QG 1 73 PHE H 0.000 . 4.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
164 1 13 MET QG 1 74 ILE H 0.000 . 6.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
165 1 13 MET H 1 14 SER H 0.000 . 5.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
166 1 13 MET H 1 18 GLN HE21 0.000 . 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
167 1 13 MET H 1 18 GLN HE22 0.000 . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
168 1 13 MET H 1 18 GLN QG 0.000 . 6.000 4.912 4.912 4.912 . 0 0 "[ ]" 1
169 1 13 MET H 1 71 LYS HA 0.000 . 5.000 4.312 4.312 4.312 . 0 0 "[ ]" 1
170 1 13 MET H 1 71 LYS QE 0.000 . 6.000 6.011 6.011 6.011 0.011 1 0 "[ ]" 1
171 1 13 MET H 1 71 LYS QG 0.000 . 6.000 5.620 5.620 5.620 . 0 0 "[ ]" 1
172 1 13 MET H 1 73 PHE QD 0.000 . 7.000 5.668 5.668 5.668 . 0 0 "[ ]" 1
173 1 13 MET H 1 73 PHE H 0.000 . 5.000 4.513 4.513 4.513 . 0 0 "[ ]" 1
174 1 14 SER H 1 14 SER HA 0.000 . 2.900 2.710 2.710 2.710 . 0 0 "[ ]" 1
175 1 14 SER HA 1 15 GLU H 0.000 . 3.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
176 1 14 SER HA 1 16 GLU H 0.000 . 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
177 1 14 SER HA 1 17 MET H 0.000 . 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
178 1 14 SER QB 1 15 GLU H 0.000 . 6.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
179 1 14 SER QB 1 16 GLU H 0.000 . 6.000 3.888 3.888 3.888 . 0 0 "[ ]" 1
180 1 14 SER QB 1 17 MET H 0.000 . 6.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
181 1 14 SER H 1 15 GLU H 0.000 . 5.000 4.601 4.601 4.601 . 0 0 "[ ]" 1
182 1 14 SER H 1 17 MET QB 0.000 . 6.000 3.132 3.132 3.132 . 0 0 "[ ]" 1
183 1 14 SER H 1 17 MET ME 0.000 . 6.500 3.595 3.595 3.595 . 0 0 "[ ]" 1
184 1 14 SER H 1 17 MET H 0.000 . 5.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
185 1 14 SER H 1 71 LYS HA 0.000 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
186 1 14 SER H 1 71 LYS QB 0.000 . 6.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
187 1 14 SER H 1 71 LYS QG 0.000 . 6.000 4.988 4.988 4.988 . 0 0 "[ ]" 1
188 1 15 GLU HA 1 16 GLU H 0.000 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
189 1 15 GLU HA 1 17 MET H 0.000 . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
190 1 15 GLU HA 1 18 GLN HE21 0.000 . 5.000 1.906 1.906 1.906 . 0 0 "[ ]" 1
191 1 15 GLU HA 1 18 GLN HE22 0.000 . 5.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
192 1 15 GLU HA 1 18 GLN H 0.000 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
193 1 15 GLU HA 1 19 GLN H 0.000 . 5.000 3.815 3.815 3.815 . 0 0 "[ ]" 1
194 1 15 GLU QB 1 16 GLU H 0.000 . 3.900 3.270 3.270 3.270 . 0 0 "[ ]" 1
195 1 15 GLU QG 1 16 GLU H 0.000 . 4.500 1.876 1.876 1.876 . 0 0 "[ ]" 1
196 1 15 GLU H 1 16 GLU H 0.000 . 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
197 1 15 GLU H 1 17 MET H 0.000 . 5.000 4.117 4.117 4.117 . 0 0 "[ ]" 1
198 1 16 GLU H 1 16 GLU HA 0.000 . 2.900 2.810 2.810 2.810 . 0 0 "[ ]" 1
199 1 16 GLU HA 1 17 MET H 0.000 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
200 1 16 GLU HA 1 18 GLN H 0.000 . 5.000 4.625 4.625 4.625 . 0 0 "[ ]" 1
201 1 16 GLU HA 1 19 GLN H 0.000 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
202 1 16 GLU HA 1 20 ASP H 0.000 . 5.000 3.785 3.785 3.785 . 0 0 "[ ]" 1
203 1 16 GLU H 1 16 GLU QB 0.000 . 3.500 2.253 2.253 2.253 . 0 0 "[ ]" 1
204 1 16 GLU QB 1 17 MET H 0.000 . 3.900 2.643 2.643 2.643 . 0 0 "[ ]" 1
205 1 16 GLU H 1 16 GLU QG 0.000 . 4.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
206 1 16 GLU QG 1 17 MET H 0.000 . 6.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
207 1 16 GLU H 1 17 MET H 0.000 . 3.500 2.627 2.627 2.627 . 0 0 "[ ]" 1
208 1 16 GLU H 1 18 GLN H 0.000 . 5.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
209 1 16 GLU H 1 19 GLN H 0.000 . 5.000 4.628 4.628 4.628 . 0 0 "[ ]" 1
210 1 17 MET H 1 17 MET HA 0.000 . 2.900 2.825 2.825 2.825 . 0 0 "[ ]" 1
211 1 17 MET HA 1 18 GLN H 0.000 . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
212 1 17 MET HA 1 19 GLN H 0.000 . 5.000 4.493 4.493 4.493 . 0 0 "[ ]" 1
213 1 17 MET HA 1 20 ASP H 0.000 . 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
214 1 17 MET HA 1 21 SER H 0.000 . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
215 1 17 MET H 1 17 MET QB 0.000 . 3.500 2.217 2.217 2.217 . 0 0 "[ ]" 1
216 1 17 MET QB 1 18 GLN H 0.000 . 3.900 2.429 2.429 2.429 . 0 0 "[ ]" 1
217 1 17 MET QB 1 19 GLN H 0.000 . 6.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
218 1 17 MET H 1 17 MET ME 0.000 . 6.500 3.897 3.897 3.897 . 0 0 "[ ]" 1
219 1 17 MET ME 1 54 TRP HE1 0.000 . 6.500 5.987 5.987 5.987 . 0 0 "[ ]" 1
220 1 17 MET QG 1 18 GLN H 0.000 . 3.900 3.780 3.780 3.780 . 0 0 "[ ]" 1
221 1 17 MET H 1 18 GLN H 0.000 . 2.900 2.699 2.699 2.699 . 0 0 "[ ]" 1
222 1 17 MET H 1 19 GLN H 0.000 . 5.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
223 1 17 MET H 1 20 ASP H 0.000 . 5.000 4.424 4.424 4.424 . 0 0 "[ ]" 1
224 1 18 GLN H 1 18 GLN HA 0.000 . 2.900 2.838 2.838 2.838 . 0 0 "[ ]" 1
225 1 18 GLN HA 1 19 GLN H 0.000 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
226 1 18 GLN HA 1 20 ASP H 0.000 . 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
227 1 18 GLN HA 1 21 SER H 0.000 . 3.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
228 1 18 GLN H 1 18 GLN QB 0.000 . 3.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
229 1 18 GLN QB 1 19 GLN H 0.000 . 3.900 3.424 3.424 3.424 . 0 0 "[ ]" 1
230 1 18 GLN H 1 18 GLN HE21 0.000 . 5.000 3.522 3.522 3.522 . 0 0 "[ ]" 1
231 1 18 GLN H 1 18 GLN HE22 0.000 . 5.000 5.047 5.047 5.047 0.047 1 0 "[ ]" 1
232 1 18 GLN H 1 18 GLN QG 0.000 . 3.900 1.908 1.908 1.908 . 0 0 "[ ]" 1
233 1 18 GLN QG 1 19 GLN H 0.000 . 3.900 2.193 2.193 2.193 . 0 0 "[ ]" 1
234 1 18 GLN QG 1 22 VAL H 0.000 . 6.000 5.399 5.399 5.399 . 0 0 "[ ]" 1
235 1 18 GLN H 1 19 GLN H 0.000 . 2.900 2.591 2.591 2.591 . 0 0 "[ ]" 1
236 1 18 GLN H 1 20 ASP H 0.000 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
237 1 18 GLN H 1 21 SER QB 0.000 . 6.000 5.015 5.015 5.015 . 0 0 "[ ]" 1
238 1 18 GLN H 1 74 ILE MD 0.000 . 6.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
239 1 19 GLN H 1 19 GLN HA 0.000 . 2.900 2.845 2.845 2.845 . 0 0 "[ ]" 1
240 1 19 GLN HA 1 20 ASP H 0.000 . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 1
241 1 19 GLN HA 1 21 SER H 0.000 . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
242 1 19 GLN HA 1 22 VAL H 0.000 . 3.500 3.135 3.135 3.135 . 0 0 "[ ]" 1
243 1 19 GLN HA 1 23 GLU H 0.000 . 5.000 4.297 4.297 4.297 . 0 0 "[ ]" 1
244 1 19 GLN H 1 19 GLN QB 0.000 . 3.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
245 1 19 GLN QB 1 20 ASP H 0.000 . 3.900 2.687 2.687 2.687 . 0 0 "[ ]" 1
246 1 19 GLN QB 1 21 SER H 0.000 . 6.000 4.669 4.669 4.669 . 0 0 "[ ]" 1
247 1 19 GLN H 1 19 GLN QG 0.000 . 3.900 2.415 2.415 2.415 . 0 0 "[ ]" 1
248 1 19 GLN QG 1 20 ASP H 0.000 . 6.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
249 1 19 GLN H 1 20 ASP HA 0.000 . 5.000 5.084 5.084 5.084 0.084 1 0 "[ ]" 1
250 1 19 GLN H 1 20 ASP QB 0.000 . 6.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
251 1 19 GLN H 1 20 ASP H 0.000 . 2.900 2.460 2.460 2.460 . 0 0 "[ ]" 1
252 1 19 GLN H 1 21 SER QB 0.000 . 6.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
253 1 19 GLN H 1 21 SER H 0.000 . 5.000 3.995 3.995 3.995 . 0 0 "[ ]" 1
254 1 19 GLN H 1 74 ILE MD 0.000 . 6.500 4.285 4.285 4.285 . 0 0 "[ ]" 1
255 1 20 ASP H 1 20 ASP HA 0.000 . 2.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
256 1 20 ASP HA 1 21 SER H 0.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
257 1 20 ASP HA 1 22 VAL H 0.000 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
258 1 20 ASP HA 1 23 GLU H 0.000 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1
259 1 20 ASP HA 1 24 CYS H 0.000 . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
260 1 20 ASP H 1 20 ASP QB 0.000 . 3.500 2.261 2.261 2.261 . 0 0 "[ ]" 1
261 1 20 ASP QB 1 21 SER H 0.000 . 4.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
262 1 20 ASP H 1 21 SER QB 0.000 . 6.000 4.377 4.377 4.377 . 0 0 "[ ]" 1
263 1 20 ASP H 1 21 SER H 0.000 . 2.900 2.613 2.613 2.613 . 0 0 "[ ]" 1
264 1 20 ASP H 1 22 VAL H 0.000 . 5.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
265 1 20 ASP H 1 23 GLU H 0.000 . 5.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
266 1 20 ASP H 1 46 PHE QE 0.000 . 7.000 5.408 5.408 5.408 . 0 0 "[ ]" 1
267 1 20 ASP H 1 46 PHE HZ 0.000 . 5.000 4.874 4.874 4.874 . 0 0 "[ ]" 1
268 1 20 ASP H 1 50 TYR QE 0.000 . 7.000 5.753 5.753 5.753 . 0 0 "[ ]" 1
269 1 21 SER H 1 21 SER HA 0.000 . 2.900 2.826 2.826 2.826 . 0 0 "[ ]" 1
270 1 21 SER HA 1 22 VAL H 0.000 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
271 1 21 SER HA 1 23 GLU H 0.000 . 5.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
272 1 21 SER HA 1 24 CYS H 0.000 . 3.500 3.210 3.210 3.210 . 0 0 "[ ]" 1
273 1 21 SER HA 1 25 ALA H 0.000 . 5.000 3.797 3.797 3.797 . 0 0 "[ ]" 1
274 1 21 SER H 1 21 SER QB 0.000 . 3.500 2.262 2.262 2.262 . 0 0 "[ ]" 1
275 1 21 SER QB 1 22 VAL H 0.000 . 3.900 2.600 2.600 2.600 . 0 0 "[ ]" 1
276 1 21 SER H 1 22 VAL HB 0.000 . 5.000 4.815 4.815 4.815 . 0 0 "[ ]" 1
277 1 21 SER H 1 22 VAL MG2 0.000 . 6.500 4.060 4.060 4.060 . 0 0 "[ ]" 1
278 1 21 SER H 1 22 VAL H 0.000 . 2.900 2.600 2.600 2.600 . 0 0 "[ ]" 1
279 1 21 SER H 1 23 GLU H 0.000 . 5.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
280 1 21 SER H 1 24 CYS H 0.000 . 5.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
281 1 21 SER H 1 46 PHE QE 0.000 . 7.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
282 1 21 SER H 1 46 PHE HZ 0.000 . 3.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
283 1 21 SER H 1 74 ILE MD 0.000 . 6.500 3.929 3.929 3.929 . 0 0 "[ ]" 1
284 1 21 SER H 1 74 ILE MG 0.000 . 6.500 4.572 4.572 4.572 . 0 0 "[ ]" 1
285 1 22 VAL H 1 22 VAL HA 0.000 . 2.900 2.798 2.798 2.798 . 0 0 "[ ]" 1
286 1 22 VAL HA 1 23 GLU H 0.000 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
287 1 22 VAL HA 1 24 CYS H 0.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
288 1 22 VAL HA 1 25 ALA H 0.000 . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 1
289 1 22 VAL HA 1 26 THR H 0.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
290 1 22 VAL H 1 22 VAL HB 0.000 . 2.900 2.545 2.545 2.545 . 0 0 "[ ]" 1
291 1 22 VAL HB 1 23 GLU H 0.000 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
292 1 22 VAL HB 1 24 CYS H 0.000 . 5.000 4.759 4.759 4.759 . 0 0 "[ ]" 1
293 1 22 VAL MG1 1 23 GLU H 0.000 . 5.000 3.396 3.396 3.396 . 0 0 "[ ]" 1
294 1 22 VAL MG1 1 24 CYS H 0.000 . 6.500 4.953 4.953 4.953 . 0 0 "[ ]" 1
295 1 22 VAL MG1 1 26 THR H 0.000 . 6.500 4.154 4.154 4.154 . 0 0 "[ ]" 1
296 1 22 VAL H 1 22 VAL MG2 0.000 . 4.400 2.256 2.256 2.256 . 0 0 "[ ]" 1
297 1 22 VAL MG2 1 23 GLU H 0.000 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
298 1 22 VAL MG2 1 24 CYS H 0.000 . 6.500 5.201 5.201 5.201 . 0 0 "[ ]" 1
299 1 22 VAL H 1 23 GLU QB 0.000 . 6.000 4.766 4.766 4.766 . 0 0 "[ ]" 1
300 1 22 VAL H 1 23 GLU H 0.000 . 2.900 2.705 2.705 2.705 . 0 0 "[ ]" 1
301 1 22 VAL H 1 24 CYS H 0.000 . 5.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
302 1 22 VAL H 1 25 ALA H 0.000 . 5.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
303 1 22 VAL H 1 46 PHE HZ 0.000 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
304 1 22 VAL H 1 74 ILE MD 0.000 . 6.500 3.598 3.598 3.598 . 0 0 "[ ]" 1
305 1 22 VAL H 1 74 ILE MG 0.000 . 6.500 5.096 5.096 5.096 . 0 0 "[ ]" 1
306 1 22 VAL H 1 76 PHE HZ 0.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
307 1 23 GLU H 1 23 GLU HA 0.000 . 2.900 2.874 2.874 2.874 . 0 0 "[ ]" 1
308 1 23 GLU HA 1 24 CYS H 0.000 . 3.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
309 1 23 GLU HA 1 25 ALA H 0.000 . 5.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
310 1 23 GLU HA 1 26 THR H 0.000 . 3.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
311 1 23 GLU HA 1 27 GLN H 0.000 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
312 1 23 GLU H 1 23 GLU QB 0.000 . 3.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
313 1 23 GLU QB 1 24 CYS H 0.000 . 3.900 2.670 2.670 2.670 . 0 0 "[ ]" 1
314 1 23 GLU H 1 23 GLU QG 0.000 . 4.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
315 1 23 GLU QG 1 24 CYS H 0.000 . 6.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
316 1 23 GLU H 1 24 CYS HA 0.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 1
317 1 23 GLU H 1 24 CYS QB 0.000 . 6.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
318 1 23 GLU H 1 24 CYS H 0.000 . 2.900 2.369 2.369 2.369 . 0 0 "[ ]" 1
319 1 23 GLU H 1 25 ALA H 0.000 . 5.000 3.861 3.861 3.861 . 0 0 "[ ]" 1
320 1 23 GLU H 1 76 PHE HZ 0.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
321 1 24 CYS H 1 24 CYS HA 0.000 . 2.900 2.821 2.821 2.821 . 0 0 "[ ]" 1
322 1 24 CYS HA 1 25 ALA H 0.000 . 5.000 3.504 3.504 3.504 . 0 0 "[ ]" 1
323 1 24 CYS HA 1 26 THR H 0.000 . 5.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
324 1 24 CYS HA 1 27 GLN H 0.000 . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
325 1 24 CYS HA 1 28 ALA H 0.000 . 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
326 1 24 CYS H 1 24 CYS QB 0.000 . 3.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
327 1 24 CYS QB 1 25 ALA H 0.000 . 3.900 2.731 2.731 2.731 . 0 0 "[ ]" 1
328 1 24 CYS H 1 25 ALA MB 0.000 . 6.500 4.273 4.273 4.273 . 0 0 "[ ]" 1
329 1 24 CYS H 1 25 ALA H 0.000 . 2.900 2.552 2.552 2.552 . 0 0 "[ ]" 1
330 1 24 CYS H 1 26 THR H 0.000 . 5.000 4.071 4.071 4.071 . 0 0 "[ ]" 1
331 1 24 CYS H 1 27 GLN H 0.000 . 5.000 4.683 4.683 4.683 . 0 0 "[ ]" 1
332 1 24 CYS H 1 46 PHE QE 0.000 . 7.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
333 1 24 CYS H 1 46 PHE HZ 0.000 . 5.000 4.806 4.806 4.806 . 0 0 "[ ]" 1
334 1 24 CYS H 1 76 PHE HZ 0.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 1
335 1 25 ALA H 1 25 ALA HA 0.000 . 2.900 2.874 2.874 2.874 . 0 0 "[ ]" 1
336 1 25 ALA HA 1 26 THR H 0.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
337 1 25 ALA HA 1 27 GLN H 0.000 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
338 1 25 ALA HA 1 28 ALA H 0.000 . 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 1
339 1 25 ALA HA 1 29 LEU H 0.000 . 5.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
340 1 25 ALA MB 1 26 THR H 0.000 . 5.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
341 1 25 ALA H 1 26 THR HA 0.000 . 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
342 1 25 ALA H 1 26 THR HB 0.000 . 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
343 1 25 ALA H 1 26 THR H 0.000 . 2.900 2.423 2.423 2.423 . 0 0 "[ ]" 1
344 1 25 ALA H 1 27 GLN H 0.000 . 5.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
345 1 25 ALA H 1 42 ILE MD 0.000 . 5.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
346 1 25 ALA H 1 42 ILE MG 0.000 . 6.500 4.318 4.318 4.318 . 0 0 "[ ]" 1
347 1 25 ALA H 1 46 PHE QE 0.000 . 7.000 5.243 5.243 5.243 . 0 0 "[ ]" 1
348 1 25 ALA H 1 76 PHE HZ 0.000 . 5.000 3.320 3.320 3.320 . 0 0 "[ ]" 1
349 1 25 ALA H 1 78 LEU MD2 0.000 . 6.500 4.575 4.575 4.575 . 0 0 "[ ]" 1
350 1 25 ALA H 1 83 ILE MD 0.000 . 6.500 4.711 4.711 4.711 . 0 0 "[ ]" 1
351 1 26 THR HA 1 27 GLN H 0.000 . 3.500 3.538 3.538 3.538 0.038 1 0 "[ ]" 1
352 1 26 THR HA 1 28 ALA H 0.000 . 5.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
353 1 26 THR HA 1 29 LEU H 0.000 . 5.000 3.696 3.696 3.696 . 0 0 "[ ]" 1
354 1 26 THR HA 1 30 GLU H 0.000 . 5.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
355 1 26 THR H 1 26 THR HB 0.000 . 2.900 2.515 2.515 2.515 . 0 0 "[ ]" 1
356 1 26 THR HB 1 27 GLN H 0.000 . 2.900 2.370 2.370 2.370 . 0 0 "[ ]" 1
357 1 26 THR HB 1 28 ALA H 0.000 . 5.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
358 1 26 THR MG 1 27 GLN H 0.000 . 5.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
359 1 26 THR H 1 27 GLN QB 0.000 . 6.000 4.701 4.701 4.701 . 0 0 "[ ]" 1
360 1 26 THR H 1 27 GLN QG 0.000 . 6.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
361 1 26 THR H 1 27 GLN H 0.000 . 2.900 2.737 2.737 2.737 . 0 0 "[ ]" 1
362 1 26 THR H 1 28 ALA H 0.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
363 1 26 THR H 1 29 LEU H 0.000 . 5.000 4.703 4.703 4.703 . 0 0 "[ ]" 1
364 1 26 THR H 1 76 PHE QE 0.000 . 7.000 4.544 4.544 4.544 . 0 0 "[ ]" 1
365 1 26 THR H 1 78 LEU MD2 0.000 . 6.500 3.066 3.066 3.066 . 0 0 "[ ]" 1
366 1 27 GLN H 1 27 GLN HA 0.000 . 2.900 2.828 2.828 2.828 . 0 0 "[ ]" 1
367 1 27 GLN HA 1 28 ALA H 0.000 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
368 1 27 GLN HA 1 29 LEU H 0.000 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
369 1 27 GLN HA 1 30 GLU H 0.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
370 1 27 GLN HA 1 31 LYS H 0.000 . 5.000 4.339 4.339 4.339 . 0 0 "[ ]" 1
371 1 27 GLN H 1 27 GLN QB 0.000 . 3.500 2.426 2.426 2.426 . 0 0 "[ ]" 1
372 1 27 GLN QB 1 28 ALA H 0.000 . 3.900 2.594 2.594 2.594 . 0 0 "[ ]" 1
373 1 27 GLN H 1 27 GLN QG 0.000 . 3.900 2.253 2.253 2.253 . 0 0 "[ ]" 1
374 1 27 GLN QG 1 28 ALA H 0.000 . 6.000 4.062 4.062 4.062 . 0 0 "[ ]" 1
375 1 27 GLN H 1 28 ALA MB 0.000 . 6.500 4.216 4.216 4.216 . 0 0 "[ ]" 1
376 1 27 GLN H 1 28 ALA H 0.000 . 3.500 2.598 2.598 2.598 . 0 0 "[ ]" 1
377 1 27 GLN H 1 29 LEU H 0.000 . 5.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
378 1 27 GLN H 1 30 GLU H 0.000 . 5.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
379 1 28 ALA H 1 28 ALA HA 0.000 . 2.900 2.795 2.795 2.795 . 0 0 "[ ]" 1
380 1 28 ALA HA 1 29 LEU H 0.000 . 5.000 3.550 3.550 3.550 . 0 0 "[ ]" 1
381 1 28 ALA HA 1 30 GLU H 0.000 . 5.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
382 1 28 ALA HA 1 31 LYS H 0.000 . 5.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
383 1 28 ALA HA 1 32 TYR H 0.000 . 5.000 3.976 3.976 3.976 . 0 0 "[ ]" 1
384 1 28 ALA MB 1 29 LEU H 0.000 . 5.000 2.539 2.539 2.539 . 0 0 "[ ]" 1
385 1 28 ALA MB 1 32 TYR H 0.000 . 6.500 4.425 4.425 4.425 . 0 0 "[ ]" 1
386 1 28 ALA MB 1 41 HIS H 0.000 . 6.500 4.687 4.687 4.687 . 0 0 "[ ]" 1
387 1 28 ALA MB 1 42 ILE H 0.000 . 6.500 3.585 3.585 3.585 . 0 0 "[ ]" 1
388 1 28 ALA H 1 29 LEU QB 0.000 . 6.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
389 1 28 ALA H 1 29 LEU HG 0.000 . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
390 1 28 ALA H 1 29 LEU H 0.000 . 2.900 2.750 2.750 2.750 . 0 0 "[ ]" 1
391 1 28 ALA H 1 30 GLU H 0.000 . 5.000 4.300 4.300 4.300 . 0 0 "[ ]" 1
392 1 28 ALA H 1 31 LYS H 0.000 . 5.000 4.784 4.784 4.784 . 0 0 "[ ]" 1
393 1 28 ALA H 1 38 ILE MG 0.000 . 6.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
394 1 28 ALA H 1 41 HIS HD2 0.000 . 5.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
395 1 28 ALA H 1 42 ILE MD 0.000 . 6.500 4.332 4.332 4.332 . 0 0 "[ ]" 1
396 1 29 LEU H 1 29 LEU HA 0.000 . 2.900 2.806 2.806 2.806 . 0 0 "[ ]" 1
397 1 29 LEU HA 1 30 GLU H 0.000 . 3.500 3.545 3.545 3.545 0.045 1 0 "[ ]" 1
398 1 29 LEU HA 1 31 LYS H 0.000 . 5.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
399 1 29 LEU HA 1 32 TYR H 0.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
400 1 29 LEU H 1 29 LEU QB 0.000 . 3.500 2.386 2.386 2.386 . 0 0 "[ ]" 1
401 1 29 LEU QB 1 30 GLU H 0.000 . 4.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
402 1 29 LEU H 1 29 LEU MD1 0.000 . 4.400 3.636 3.636 3.636 . 0 0 "[ ]" 1
403 1 29 LEU MD1 1 30 GLU H 0.000 . 6.500 4.453 4.453 4.453 . 0 0 "[ ]" 1
404 1 29 LEU MD1 1 81 VAL H 0.000 . 6.500 4.571 4.571 4.571 . 0 0 "[ ]" 1
405 1 29 LEU H 1 29 LEU MD2 0.000 . 4.400 3.488 3.488 3.488 . 0 0 "[ ]" 1
406 1 29 LEU H 1 29 LEU HG 0.000 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
407 1 29 LEU HG 1 30 GLU H 0.000 . 5.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
408 1 29 LEU H 1 30 GLU QB 0.000 . 6.000 5.084 5.084 5.084 . 0 0 "[ ]" 1
409 1 29 LEU H 1 30 GLU QG 0.000 . 6.000 3.837 3.837 3.837 . 0 0 "[ ]" 1
410 1 29 LEU H 1 30 GLU H 0.000 . 2.900 2.747 2.747 2.747 . 0 0 "[ ]" 1
411 1 29 LEU H 1 31 LYS H 0.000 . 5.000 3.938 3.938 3.938 . 0 0 "[ ]" 1
412 1 29 LEU H 1 38 ILE MD 0.000 . 6.500 3.075 3.075 3.075 . 0 0 "[ ]" 1
413 1 29 LEU H 1 38 ILE MG 0.000 . 4.400 3.218 3.218 3.218 . 0 0 "[ ]" 1
414 1 30 GLU H 1 30 GLU HA 0.000 . 2.900 2.827 2.827 2.827 . 0 0 "[ ]" 1
415 1 30 GLU HA 1 31 LYS H 0.000 . 3.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
416 1 30 GLU HA 1 32 TYR H 0.000 . 5.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
417 1 30 GLU H 1 30 GLU QB 0.000 . 3.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
418 1 30 GLU QB 1 31 LYS H 0.000 . 3.900 3.658 3.658 3.658 . 0 0 "[ ]" 1
419 1 30 GLU QB 1 32 TYR H 0.000 . 6.000 5.551 5.551 5.551 . 0 0 "[ ]" 1
420 1 30 GLU H 1 30 GLU QG 0.000 . 3.900 1.911 1.911 1.911 . 0 0 "[ ]" 1
421 1 30 GLU QG 1 31 LYS H 0.000 . 6.000 2.846 2.846 2.846 . 0 0 "[ ]" 1
422 1 30 GLU H 1 31 LYS QB 0.000 . 6.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
423 1 30 GLU H 1 31 LYS QG 0.000 . 6.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
424 1 30 GLU H 1 31 LYS H 0.000 . 2.900 2.617 2.617 2.617 . 0 0 "[ ]" 1
425 1 30 GLU H 1 32 TYR H 0.000 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
426 1 31 LYS H 1 31 LYS HA 0.000 . 2.900 2.878 2.878 2.878 . 0 0 "[ ]" 1
427 1 31 LYS HA 1 32 TYR H 0.000 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
428 1 31 LYS H 1 31 LYS QB 0.000 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
429 1 31 LYS QB 1 32 TYR H 0.000 . 4.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
430 1 31 LYS H 1 31 LYS QD 0.000 . 4.500 3.925 3.925 3.925 . 0 0 "[ ]" 1
431 1 31 LYS QD 1 32 TYR H 0.000 . 6.000 4.522 4.522 4.522 . 0 0 "[ ]" 1
432 1 31 LYS H 1 31 LYS QG 0.000 . 3.900 2.601 2.601 2.601 . 0 0 "[ ]" 1
433 1 31 LYS QG 1 32 TYR H 0.000 . 4.500 4.106 4.106 4.106 . 0 0 "[ ]" 1
434 1 31 LYS H 1 32 TYR HA 0.000 . 5.000 5.078 5.078 5.078 0.078 1 0 "[ ]" 1
435 1 31 LYS H 1 32 TYR QD 0.000 . 4.900 3.665 3.665 3.665 . 0 0 "[ ]" 1
436 1 31 LYS H 1 32 TYR H 0.000 . 2.900 2.515 2.515 2.515 . 0 0 "[ ]" 1
437 1 32 TYR HA 1 33 ASN H 0.000 . 3.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
438 1 32 TYR HA 1 34 ILE H 0.000 . 5.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
439 1 32 TYR QB 1 33 ASN H 0.000 . 6.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
440 1 32 TYR QB 1 34 ILE H 0.000 . 4.500 2.683 2.683 2.683 . 0 0 "[ ]" 1
441 1 32 TYR QB 1 37 ASP H 0.000 . 6.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
442 1 32 TYR QB 1 38 ILE H 0.000 . 6.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
443 1 32 TYR H 1 32 TYR QD 0.000 . 4.900 2.023 2.023 2.023 . 0 0 "[ ]" 1
444 1 32 TYR QD 1 33 ASN H 0.000 . 7.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
445 1 32 TYR QD 1 34 ILE H 0.000 . 7.000 4.762 4.762 4.762 . 0 0 "[ ]" 1
446 1 32 TYR H 1 32 TYR QE 0.000 . 7.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
447 1 32 TYR QE 1 33 ASN H 0.000 . 7.000 6.382 6.382 6.382 . 0 0 "[ ]" 1
448 1 32 TYR QE 1 41 HIS H 0.000 . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1
449 1 32 TYR H 1 33 ASN H 0.000 . 5.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
450 1 32 TYR H 1 38 ILE HA 0.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
451 1 32 TYR H 1 38 ILE MD 0.000 . 5.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
452 1 32 TYR H 1 38 ILE MG 0.000 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
453 1 33 ASN HA 1 34 ILE H 0.000 . 2.900 2.906 2.906 2.906 0.006 1 0 "[ ]" 1
454 1 33 ASN QB 1 34 ILE H 0.000 . 6.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
455 1 33 ASN H 1 34 ILE HB 0.000 . 5.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
456 1 33 ASN H 1 34 ILE MD 0.000 . 6.500 5.145 5.145 5.145 . 0 0 "[ ]" 1
457 1 33 ASN H 1 34 ILE H 0.000 . 2.900 2.935 2.935 2.935 0.035 1 0 "[ ]" 1
458 1 33 ASN H 1 37 ASP QB 0.000 . 6.000 4.722 4.722 4.722 . 0 0 "[ ]" 1
459 1 34 ILE HA 1 35 GLU H 0.000 . 2.900 2.089 2.089 2.089 . 0 0 "[ ]" 1
460 1 34 ILE HA 1 36 LYS H 0.000 . 5.000 3.816 3.816 3.816 . 0 0 "[ ]" 1
461 1 34 ILE HA 1 37 ASP H 0.000 . 5.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
462 1 34 ILE H 1 34 ILE HB 0.000 . 2.900 2.906 2.906 2.906 0.006 1 0 "[ ]" 1
463 1 34 ILE HB 1 35 GLU H 0.000 . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
464 1 34 ILE HB 1 36 LYS H 0.000 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
465 1 34 ILE HB 1 37 ASP H 0.000 . 5.000 3.221 3.221 3.221 . 0 0 "[ ]" 1
466 1 34 ILE HB 1 38 ILE H 0.000 . 5.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
467 1 34 ILE MD 1 36 LYS H 0.000 . 6.500 4.108 4.108 4.108 . 0 0 "[ ]" 1
468 1 34 ILE MD 1 37 ASP H 0.000 . 6.500 5.208 5.208 5.208 . 0 0 "[ ]" 1
469 1 34 ILE MG 1 35 GLU H 0.000 . 5.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
470 1 34 ILE MG 1 36 LYS H 0.000 . 5.000 1.849 1.849 1.849 . 0 0 "[ ]" 1
471 1 34 ILE MG 1 37 ASP H 0.000 . 5.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
472 1 34 ILE MG 1 38 ILE H 0.000 . 6.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
473 1 34 ILE H 1 35 GLU H 0.000 . 5.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
474 1 34 ILE H 1 36 LYS H 0.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
475 1 34 ILE H 1 37 ASP QB 0.000 . 3.900 3.657 3.657 3.657 . 0 0 "[ ]" 1
476 1 34 ILE H 1 37 ASP H 0.000 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
477 1 34 ILE H 1 38 ILE MD 0.000 . 6.500 2.958 2.958 2.958 . 0 0 "[ ]" 1
478 1 34 ILE H 1 38 ILE MG 0.000 . 6.500 5.687 5.687 5.687 . 0 0 "[ ]" 1
479 1 35 GLU HA 1 36 LYS H 0.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
480 1 35 GLU HA 1 37 ASP H 0.000 . 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
481 1 35 GLU HA 1 38 ILE H 0.000 . 5.000 3.264 3.264 3.264 . 0 0 "[ ]" 1
482 1 35 GLU HA 1 39 ALA H 0.000 . 5.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
483 1 35 GLU HA 2 63 GLY H 0.000 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
484 1 35 GLU QB 1 36 LYS H 0.000 . 6.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
485 1 35 GLU QB 1 58 VAL H 0.000 . 6.000 3.829 3.829 3.829 . 0 0 "[ ]" 1
486 1 35 GLU QB 2 63 GLY H 0.000 . 6.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
487 1 35 GLU QG 1 36 LYS H 0.000 . 6.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
488 1 35 GLU QG 1 58 VAL H 0.000 . 6.000 4.281 4.281 4.281 . 0 0 "[ ]" 1
489 1 35 GLU QG 1 59 GLY H 0.000 . 6.000 4.533 4.533 4.533 . 0 0 "[ ]" 1
490 1 35 GLU QG 1 60 ARG H 0.000 . 6.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
491 1 35 GLU QG 2 63 GLY H 0.000 . 6.000 1.795 1.795 1.795 . 0 0 "[ ]" 1
492 1 35 GLU H 1 36 LYS H 0.000 . 5.000 2.920 2.920 2.920 . 0 0 "[ ]" 1
493 1 35 GLU H 1 37 ASP H 0.000 . 5.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
494 1 35 GLU H 1 38 ILE MD 0.000 . 6.500 4.740 4.740 4.740 . 0 0 "[ ]" 1
495 1 36 LYS HA 1 37 ASP H 0.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
496 1 36 LYS HA 1 38 ILE H 0.000 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
497 1 36 LYS HA 1 39 ALA H 0.000 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
498 1 36 LYS HA 1 40 ALA H 0.000 . 5.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
499 1 36 LYS HA 2 64 SER H 0.000 . 5.000 2.986 2.986 2.986 . 0 0 "[ ]" 1
500 1 36 LYS QB 1 37 ASP H 0.000 . 6.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
501 1 36 LYS QB 1 38 ILE H 0.000 . 6.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
502 1 36 LYS QB 2 64 SER H 0.000 . 6.000 4.082 4.082 4.082 . 0 0 "[ ]" 1
503 1 36 LYS H 1 36 LYS QD 0.000 . 6.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
504 1 36 LYS QE 1 37 ASP H 0.000 . 6.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
505 1 36 LYS QG 1 37 ASP H 0.000 . 4.500 3.430 3.430 3.430 . 0 0 "[ ]" 1
506 1 36 LYS H 1 37 ASP H 0.000 . 5.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
507 1 36 LYS H 1 38 ILE MD 0.000 . 6.500 5.377 5.377 5.377 . 0 0 "[ ]" 1
508 1 36 LYS H 1 38 ILE H 0.000 . 5.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
509 1 36 LYS H 1 39 ALA H 0.000 . 5.000 4.988 4.988 4.988 . 0 0 "[ ]" 1
510 1 36 LYS H 2 63 GLY QA 0.000 . 6.000 2.960 2.960 2.960 . 0 0 "[ ]" 1
511 1 36 LYS H 2 63 GLY H 0.000 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
512 1 37 ASP HA 1 38 ILE H 0.000 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
513 1 37 ASP HA 1 39 ALA H 0.000 . 5.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
514 1 37 ASP HA 1 40 ALA H 0.000 . 3.500 3.497 3.497 3.497 . 0 0 "[ ]" 1
515 1 37 ASP HA 1 41 HIS H 0.000 . 5.000 3.971 3.971 3.971 . 0 0 "[ ]" 1
516 1 37 ASP QB 1 38 ILE H 0.000 . 4.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
517 1 37 ASP H 1 38 ILE HA 0.000 . 5.000 5.086 5.086 5.086 0.086 1 0 "[ ]" 1
518 1 37 ASP H 1 38 ILE MD 0.000 . 6.500 4.481 4.481 4.481 . 0 0 "[ ]" 1
519 1 37 ASP H 1 38 ILE H 0.000 . 3.500 2.505 2.505 2.505 . 0 0 "[ ]" 1
520 1 37 ASP H 1 39 ALA H 0.000 . 5.000 4.546 4.546 4.546 . 0 0 "[ ]" 1
521 1 37 ASP H 1 40 ALA H 0.000 . 5.000 4.992 4.992 4.992 . 0 0 "[ ]" 1
522 1 38 ILE HA 1 39 ALA H 0.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
523 1 38 ILE HA 1 40 ALA H 0.000 . 5.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
524 1 38 ILE HA 1 41 HIS H 0.000 . 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
525 1 38 ILE HA 1 42 ILE H 0.000 . 5.000 3.915 3.915 3.915 . 0 0 "[ ]" 1
526 1 38 ILE H 1 38 ILE HB 0.000 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
527 1 38 ILE HB 1 39 ALA H 0.000 . 3.500 2.277 2.277 2.277 . 0 0 "[ ]" 1
528 1 38 ILE HB 1 40 ALA H 0.000 . 5.000 4.928 4.928 4.928 . 0 0 "[ ]" 1
529 1 38 ILE H 1 38 ILE MD 0.000 . 5.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
530 1 38 ILE MD 1 39 ALA H 0.000 . 6.500 4.475 4.475 4.475 . 0 0 "[ ]" 1
531 1 38 ILE MG 1 39 ALA H 0.000 . 4.400 3.341 3.341 3.341 . 0 0 "[ ]" 1
532 1 38 ILE MG 1 40 ALA H 0.000 . 6.500 5.151 5.151 5.151 . 0 0 "[ ]" 1
533 1 38 ILE H 1 39 ALA MB 0.000 . 6.500 4.476 4.476 4.476 . 0 0 "[ ]" 1
534 1 38 ILE H 1 39 ALA H 0.000 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
535 1 38 ILE H 1 40 ALA H 0.000 . 5.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
536 1 39 ALA HA 1 40 ALA H 0.000 . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
537 1 39 ALA HA 1 41 HIS H 0.000 . 5.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
538 1 39 ALA HA 1 42 ILE H 0.000 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
539 1 39 ALA HA 1 43 LYS H 0.000 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
540 1 39 ALA MB 1 40 ALA H 0.000 . 4.400 2.373 2.373 2.373 . 0 0 "[ ]" 1
541 1 39 ALA MB 1 56 CYS H 0.000 . 6.500 3.705 3.705 3.705 . 0 0 "[ ]" 1
542 1 39 ALA MB 1 57 ILE H 0.000 . 6.500 3.669 3.669 3.669 . 0 0 "[ ]" 1
543 1 39 ALA MB 1 58 VAL H 0.000 . 6.500 3.230 3.230 3.230 . 0 0 "[ ]" 1
544 1 39 ALA MB 2 64 SER H 0.000 . 6.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
545 1 39 ALA MB 2 65 TYR H 0.000 . 5.000 1.892 1.892 1.892 . 0 0 "[ ]" 1
546 1 39 ALA H 1 40 ALA MB 0.000 . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
547 1 39 ALA H 1 40 ALA H 0.000 . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
548 1 39 ALA H 1 41 HIS H 0.000 . 5.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
549 1 39 ALA H 1 58 VAL HB 0.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
550 1 39 ALA H 1 58 VAL MG1 0.000 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
551 1 39 ALA H 1 58 VAL MG2 0.000 . 4.400 3.137 3.137 3.137 . 0 0 "[ ]" 1
552 1 39 ALA H 1 58 VAL H 0.000 . 5.000 5.048 5.048 5.048 0.048 1 0 "[ ]" 1
553 1 40 ALA H 1 40 ALA HA 0.000 . 2.900 2.780 2.780 2.780 . 0 0 "[ ]" 1
554 1 40 ALA HA 1 41 HIS H 0.000 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
555 1 40 ALA HA 1 42 ILE H 0.000 . 5.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
556 1 40 ALA HA 1 43 LYS H 0.000 . 5.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
557 1 40 ALA HA 1 44 LYS H 0.000 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 1
558 1 40 ALA MB 1 41 HIS H 0.000 . 4.400 2.679 2.679 2.679 . 0 0 "[ ]" 1
559 1 40 ALA MB 1 42 ILE H 0.000 . 6.500 4.744 4.744 4.744 . 0 0 "[ ]" 1
560 1 40 ALA H 1 41 HIS QB 0.000 . 6.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
561 1 40 ALA H 1 41 HIS H 0.000 . 3.500 2.778 2.778 2.778 . 0 0 "[ ]" 1
562 1 40 ALA H 1 42 ILE H 0.000 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
563 1 40 ALA H 1 43 LYS H 0.000 . 5.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
564 1 40 ALA H 2 65 TYR HA 0.000 . 5.000 5.052 5.052 5.052 0.052 1 0 "[ ]" 1
565 1 40 ALA H 2 65 TYR QB 0.000 . 6.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
566 1 40 ALA H 2 65 TYR QD 0.000 . 7.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
567 1 40 ALA H 2 65 TYR H 0.000 . 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
568 1 41 HIS H 1 41 HIS HA 0.000 . 2.900 2.847 2.847 2.847 . 0 0 "[ ]" 1
569 1 41 HIS HA 1 42 ILE H 0.000 . 5.000 3.546 3.546 3.546 . 0 0 "[ ]" 1
570 1 41 HIS HA 1 43 LYS H 0.000 . 5.000 4.453 4.453 4.453 . 0 0 "[ ]" 1
571 1 41 HIS HA 1 44 LYS H 0.000 . 5.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
572 1 41 HIS HA 1 45 GLU H 0.000 . 5.000 4.270 4.270 4.270 . 0 0 "[ ]" 1
573 1 41 HIS H 1 41 HIS QB 0.000 . 3.500 2.220 2.220 2.220 . 0 0 "[ ]" 1
574 1 41 HIS QB 1 42 ILE H 0.000 . 6.000 2.338 2.338 2.338 . 0 0 "[ ]" 1
575 1 41 HIS QB 1 43 LYS H 0.000 . 6.000 4.612 4.612 4.612 . 0 0 "[ ]" 1
576 1 41 HIS HD2 1 42 ILE H 0.000 . 5.000 3.157 3.157 3.157 . 0 0 "[ ]" 1
577 1 41 HIS H 1 42 ILE HA 0.000 . 5.000 5.155 5.155 5.155 0.155 1 0 "[ ]" 1
578 1 41 HIS H 1 42 ILE MD 0.000 . 6.500 5.277 5.277 5.277 . 0 0 "[ ]" 1
579 1 41 HIS H 1 42 ILE H 0.000 . 3.500 2.588 2.588 2.588 . 0 0 "[ ]" 1
580 1 41 HIS H 1 43 LYS H 0.000 . 5.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
581 1 41 HIS H 1 44 LYS H 0.000 . 5.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
582 1 42 ILE HA 1 43 LYS H 0.000 . 5.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
583 1 42 ILE HA 1 45 GLU H 0.000 . 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
584 1 42 ILE HA 1 46 PHE H 0.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
585 1 42 ILE H 1 42 ILE HB 0.000 . 3.500 2.536 2.536 2.536 . 0 0 "[ ]" 1
586 1 42 ILE HB 1 43 LYS H 0.000 . 3.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
587 1 42 ILE H 1 42 ILE MD 0.000 . 4.400 3.599 3.599 3.599 . 0 0 "[ ]" 1
588 1 42 ILE MD 1 43 LYS H 0.000 . 6.500 4.611 4.611 4.611 . 0 0 "[ ]" 1
589 1 42 ILE MG 1 43 LYS H 0.000 . 6.500 3.466 3.466 3.466 . 0 0 "[ ]" 1
590 1 42 ILE H 1 43 LYS H 0.000 . 3.500 2.715 2.715 2.715 . 0 0 "[ ]" 1
591 1 42 ILE H 1 44 LYS H 0.000 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
592 1 43 LYS HA 1 44 LYS H 0.000 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
593 1 43 LYS HA 1 45 GLU H 0.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
594 1 43 LYS HA 1 46 PHE H 0.000 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
595 1 43 LYS HA 1 47 ASP H 0.000 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
596 1 43 LYS QB 1 44 LYS H 0.000 . 6.000 2.293 2.293 2.293 . 0 0 "[ ]" 1
597 1 43 LYS QB 1 45 GLU H 0.000 . 6.000 4.624 4.624 4.624 . 0 0 "[ ]" 1
598 1 43 LYS QB 1 56 CYS H 0.000 . 6.000 3.483 3.483 3.483 . 0 0 "[ ]" 1
599 1 43 LYS H 1 44 LYS QB 0.000 . 6.000 5.084 5.084 5.084 . 0 0 "[ ]" 1
600 1 43 LYS H 1 44 LYS QG 0.000 . 6.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
601 1 43 LYS H 1 44 LYS H 0.000 . 2.900 2.857 2.857 2.857 . 0 0 "[ ]" 1
602 1 43 LYS H 1 45 GLU H 0.000 . 5.000 4.191 4.191 4.191 . 0 0 "[ ]" 1
603 1 43 LYS H 1 46 PHE H 0.000 . 5.000 4.882 4.882 4.882 . 0 0 "[ ]" 1
604 1 43 LYS H 1 56 CYS QB 0.000 . 6.000 3.199 3.199 3.199 . 0 0 "[ ]" 1
605 1 43 LYS H 2 65 TYR QD 0.000 . 7.000 5.215 5.215 5.215 . 0 0 "[ ]" 1
606 1 43 LYS H 1 85 LEU MD1 0.000 . 6.500 4.397 4.397 4.397 . 0 0 "[ ]" 1
607 1 44 LYS HA 1 45 GLU H 0.000 . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1
608 1 44 LYS HA 1 46 PHE H 0.000 . 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
609 1 44 LYS HA 1 47 ASP H 0.000 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
610 1 44 LYS QB 1 45 GLU H 0.000 . 6.000 3.367 3.367 3.367 . 0 0 "[ ]" 1
611 1 44 LYS H 1 44 LYS QG 0.000 . 3.900 2.070 2.070 2.070 . 0 0 "[ ]" 1
612 1 44 LYS QG 1 45 GLU H 0.000 . 6.000 2.034 2.034 2.034 . 0 0 "[ ]" 1
613 1 44 LYS H 1 45 GLU QB 0.000 . 6.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
614 1 44 LYS H 1 45 GLU H 0.000 . 2.900 2.803 2.803 2.803 . 0 0 "[ ]" 1
615 1 44 LYS H 1 46 PHE H 0.000 . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
616 1 44 LYS H 1 47 ASP H 0.000 . 5.000 4.750 4.750 4.750 . 0 0 "[ ]" 1
617 1 44 LYS H 2 65 TYR QD 0.000 . 7.000 4.944 4.944 4.944 . 0 0 "[ ]" 1
618 1 44 LYS H 2 65 TYR QE 0.000 . 7.000 5.224 5.224 5.224 . 0 0 "[ ]" 1
619 1 45 GLU H 1 45 GLU HA 0.000 . 2.900 2.802 2.802 2.802 . 0 0 "[ ]" 1
620 1 45 GLU HA 1 46 PHE H 0.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
621 1 45 GLU HA 1 47 ASP H 0.000 . 5.000 4.520 4.520 4.520 . 0 0 "[ ]" 1
622 1 45 GLU HA 1 48 LYS H 0.000 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
623 1 45 GLU HA 1 49 LYS H 0.000 . 5.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
624 1 45 GLU H 1 45 GLU QB 0.000 . 3.500 2.424 2.424 2.424 . 0 0 "[ ]" 1
625 1 45 GLU QB 1 46 PHE H 0.000 . 4.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
626 1 45 GLU H 1 46 PHE QB 0.000 . 6.000 4.653 4.653 4.653 . 0 0 "[ ]" 1
627 1 45 GLU H 1 46 PHE QD 0.000 . 7.000 4.176 4.176 4.176 . 0 0 "[ ]" 1
628 1 45 GLU H 1 46 PHE H 0.000 . 2.900 2.769 2.769 2.769 . 0 0 "[ ]" 1
629 1 45 GLU H 1 47 ASP H 0.000 . 5.000 4.104 4.104 4.104 . 0 0 "[ ]" 1
630 1 45 GLU H 1 48 LYS QE 0.000 . 6.000 6.030 6.030 6.030 0.030 1 0 "[ ]" 1
631 1 45 GLU H 1 48 LYS H 0.000 . 5.000 4.610 4.610 4.610 . 0 0 "[ ]" 1
632 1 46 PHE HA 1 47 ASP H 0.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
633 1 46 PHE HA 1 49 LYS H 0.000 . 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
634 1 46 PHE HA 1 50 TYR H 0.000 . 5.000 2.858 2.858 2.858 . 0 0 "[ ]" 1
635 1 46 PHE HA 1 54 TRP HE1 0.000 . 5.000 4.934 4.934 4.934 . 0 0 "[ ]" 1
636 1 46 PHE H 1 46 PHE QB 0.000 . 3.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
637 1 46 PHE QB 1 47 ASP H 0.000 . 6.000 2.720 2.720 2.720 . 0 0 "[ ]" 1
638 1 46 PHE H 1 46 PHE QD 0.000 . 5.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
639 1 46 PHE QD 1 47 ASP H 0.000 . 7.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
640 1 46 PHE QD 1 54 TRP HE1 0.000 . 7.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
641 1 46 PHE H 1 46 PHE QE 0.000 . 7.000 4.612 4.612 4.612 . 0 0 "[ ]" 1
642 1 46 PHE H 1 47 ASP HA 0.000 . 5.000 5.114 5.114 5.114 0.114 1 0 "[ ]" 1
643 1 46 PHE H 1 47 ASP QB 0.000 . 6.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
644 1 46 PHE H 1 47 ASP H 0.000 . 2.900 2.487 2.487 2.487 . 0 0 "[ ]" 1
645 1 46 PHE H 1 48 LYS H 0.000 . 5.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
646 1 47 ASP HA 1 48 LYS H 0.000 . 5.000 3.400 3.400 3.400 . 0 0 "[ ]" 1
647 1 47 ASP HA 1 50 TYR H 0.000 . 5.000 4.175 4.175 4.175 . 0 0 "[ ]" 1
648 1 47 ASP HA 1 51 ASN H 0.000 . 5.000 2.980 2.980 2.980 . 0 0 "[ ]" 1
649 1 47 ASP HA 1 54 TRP HE1 0.000 . 3.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
650 1 47 ASP HA 1 54 TRP H 0.000 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
651 1 47 ASP H 1 47 ASP QB 0.000 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
652 1 47 ASP QB 1 48 LYS H 0.000 . 4.500 3.020 3.020 3.020 . 0 0 "[ ]" 1
653 1 47 ASP QB 1 54 TRP H 0.000 . 6.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
654 1 47 ASP H 1 48 LYS QB 0.000 . 6.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
655 1 47 ASP H 1 48 LYS QG 0.000 . 6.000 6.091 6.091 6.091 0.091 1 0 "[ ]" 1
656 1 47 ASP H 1 48 LYS H 0.000 . 2.900 2.446 2.446 2.446 . 0 0 "[ ]" 1
657 1 47 ASP H 1 49 LYS H 0.000 . 5.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
658 1 47 ASP H 1 50 TYR H 0.000 . 5.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
659 1 47 ASP H 1 52 PRO HA 0.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
660 1 47 ASP H 1 54 TRP QB 0.000 . 6.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
661 1 47 ASP H 1 54 TRP HD1 0.000 . 5.000 3.857 3.857 3.857 . 0 0 "[ ]" 1
662 1 47 ASP H 1 54 TRP HE1 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
663 1 47 ASP H 1 54 TRP H 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
664 1 48 LYS H 1 48 LYS HA 0.000 . 2.900 2.877 2.877 2.877 . 0 0 "[ ]" 1
665 1 48 LYS HA 1 49 LYS H 0.000 . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1
666 1 48 LYS HA 1 50 TYR H 0.000 . 5.000 5.078 5.078 5.078 0.078 1 0 "[ ]" 1
667 1 48 LYS H 1 48 LYS QB 0.000 . 3.500 2.260 2.260 2.260 . 0 0 "[ ]" 1
668 1 48 LYS QB 1 49 LYS H 0.000 . 3.900 2.463 2.463 2.463 . 0 0 "[ ]" 1
669 1 48 LYS QB 1 50 TYR H 0.000 . 6.000 4.646 4.646 4.646 . 0 0 "[ ]" 1
670 1 48 LYS H 1 48 LYS QD 0.000 . 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
671 1 48 LYS QD 1 49 LYS H 0.000 . 6.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
672 1 48 LYS QE 1 49 LYS H 0.000 . 6.000 5.257 5.257 5.257 . 0 0 "[ ]" 1
673 1 48 LYS H 1 48 LYS QG 0.000 . 4.500 4.011 4.011 4.011 . 0 0 "[ ]" 1
674 1 48 LYS QG 1 49 LYS H 0.000 . 6.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
675 1 48 LYS H 1 49 LYS HA 0.000 . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
676 1 48 LYS H 1 49 LYS H 0.000 . 2.900 2.391 2.391 2.391 . 0 0 "[ ]" 1
677 1 48 LYS H 1 50 TYR H 0.000 . 5.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
678 1 48 LYS H 1 51 ASN H 0.000 . 5.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
679 1 54 TRP HE1 1 72 HIS HD2 0.000 . 5.000 4.062 4.062 4.062 . 0 0 "[ ]" 1
680 1 49 LYS H 1 49 LYS HA 0.000 . 2.900 2.895 2.895 2.895 . 0 0 "[ ]" 1
681 1 49 LYS HA 1 50 TYR H 0.000 . 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 1
682 1 49 LYS HA 1 51 ASN H 0.000 . 5.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
683 1 49 LYS H 1 49 LYS QB 0.000 . 3.500 2.304 2.304 2.304 . 0 0 "[ ]" 1
684 1 49 LYS QB 1 50 TYR H 0.000 . 4.500 2.412 2.412 2.412 . 0 0 "[ ]" 1
685 1 49 LYS QB 1 51 ASN H 0.000 . 6.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
686 1 49 LYS QE 1 50 TYR H 0.000 . 6.000 5.199 5.199 5.199 . 0 0 "[ ]" 1
687 1 49 LYS QG 1 50 TYR H 0.000 . 6.000 4.230 4.230 4.230 . 0 0 "[ ]" 1
688 1 49 LYS H 1 50 TYR HA 0.000 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
689 1 49 LYS H 1 50 TYR QD 0.000 . 7.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
690 1 49 LYS H 1 50 TYR H 0.000 . 2.900 2.385 2.385 2.385 . 0 0 "[ ]" 1
691 1 49 LYS H 1 51 ASN H 0.000 . 5.000 3.421 3.421 3.421 . 0 0 "[ ]" 1
692 1 50 TYR HA 1 51 ASN H 0.000 . 3.500 3.411 3.411 3.411 . 0 0 "[ ]" 1
693 1 50 TYR HA 1 54 TRP HE1 0.000 . 5.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
694 1 50 TYR QB 1 51 ASN H 0.000 . 4.500 3.110 3.110 3.110 . 0 0 "[ ]" 1
695 1 50 TYR QB 1 54 TRP HE1 0.000 . 3.900 2.173 2.173 2.173 . 0 0 "[ ]" 1
696 1 50 TYR H 1 50 TYR QD 0.000 . 5.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
697 1 50 TYR QD 1 51 ASN H 0.000 . 7.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
698 1 50 TYR QD 1 54 TRP HE1 0.000 . 5.500 3.934 3.934 3.934 . 0 0 "[ ]" 1
699 1 50 TYR H 1 50 TYR QE 0.000 . 7.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
700 1 50 TYR QE 1 54 TRP HE1 0.000 . 7.000 6.051 6.051 6.051 . 0 0 "[ ]" 1
701 1 50 TYR H 1 51 ASN HA 0.000 . 5.000 4.663 4.663 4.663 . 0 0 "[ ]" 1
702 1 50 TYR H 1 51 ASN HD21 0.000 . 5.000 4.267 4.267 4.267 . 0 0 "[ ]" 1
703 1 50 TYR H 1 51 ASN H 0.000 . 2.900 2.380 2.380 2.380 . 0 0 "[ ]" 1
704 1 50 TYR H 1 54 TRP HE1 0.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
705 1 50 TYR H 1 54 TRP HZ2 0.000 . 5.000 5.061 5.061 5.061 0.061 1 0 "[ ]" 1
706 1 51 ASN H 1 51 ASN HA 0.000 . 2.900 2.293 2.293 2.293 . 0 0 "[ ]" 1
707 1 51 ASN H 1 52 PRO HA 0.000 . 5.000 5.094 5.094 5.094 0.094 1 0 "[ ]" 1
708 1 51 ASN H 1 52 PRO QD 0.000 . 4.500 3.821 3.821 3.821 . 0 0 "[ ]" 1
709 1 51 ASN H 1 52 PRO QG 0.000 . 6.000 5.691 5.691 5.691 . 0 0 "[ ]" 1
710 1 51 ASN H 1 54 TRP HD1 0.000 . 5.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
711 1 51 ASN H 1 54 TRP HE1 0.000 . 5.000 3.858 3.858 3.858 . 0 0 "[ ]" 1
712 1 52 PRO HA 1 53 THR H 0.000 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
713 1 52 PRO HA 1 54 TRP HE1 0.000 . 5.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
714 1 52 PRO HA 1 54 TRP H 0.000 . 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 1
715 1 52 PRO QB 1 53 THR H 0.000 . 6.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
716 1 52 PRO QB 1 54 TRP H 0.000 . 6.000 3.987 3.987 3.987 . 0 0 "[ ]" 1
717 1 52 PRO QG 1 54 TRP H 0.000 . 6.000 5.832 5.832 5.832 . 0 0 "[ ]" 1
718 1 53 THR H 1 53 THR HA 0.000 . 2.900 2.942 2.942 2.942 0.042 1 0 "[ ]" 1
719 1 53 THR HA 1 54 TRP HE1 0.000 . 5.000 5.056 5.056 5.056 0.056 1 0 "[ ]" 1
720 1 53 THR HA 1 54 TRP H 0.000 . 2.900 2.164 2.164 2.164 . 0 0 "[ ]" 1
721 1 53 THR HB 1 54 TRP H 0.000 . 5.000 4.119 4.119 4.119 . 0 0 "[ ]" 1
722 1 53 THR HB 1 88 SER H 0.000 . 5.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
723 1 53 THR HB 1 89 GLY H 0.000 . 2.900 2.931 2.931 2.931 0.031 1 0 "[ ]" 1
724 1 53 THR MG 1 54 TRP H 0.000 . 6.500 2.346 2.346 2.346 . 0 0 "[ ]" 1
725 1 53 THR MG 2 67 THR H 0.000 . 6.500 3.624 3.624 3.624 . 0 0 "[ ]" 1
726 1 53 THR MG 2 68 HIS H 0.000 . 6.500 5.690 5.690 5.690 . 0 0 "[ ]" 1
727 1 53 THR MG 1 88 SER H 0.000 . 6.500 3.721 3.721 3.721 . 0 0 "[ ]" 1
728 1 53 THR MG 1 89 GLY H 0.000 . 6.500 3.983 3.983 3.983 . 0 0 "[ ]" 1
729 1 53 THR H 1 54 TRP HD1 0.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
730 1 53 THR H 1 54 TRP H 0.000 . 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
731 1 53 THR H 1 87 LYS HA 0.000 . 5.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
732 1 53 THR H 1 87 LYS QB 0.000 . 4.500 3.469 3.469 3.469 . 0 0 "[ ]" 1
733 1 53 THR H 1 87 LYS QD 0.000 . 4.500 4.502 4.502 4.502 0.002 1 0 "[ ]" 1
734 1 53 THR H 1 87 LYS QE 0.000 . 6.000 2.400 2.400 2.400 . 0 0 "[ ]" 1
735 1 53 THR H 1 87 LYS QG 0.000 . 4.500 3.949 3.949 3.949 . 0 0 "[ ]" 1
736 1 53 THR H 1 88 SER H 0.000 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
737 1 53 THR H 1 89 GLY QA 0.000 . 3.900 3.481 3.481 3.481 . 0 0 "[ ]" 1
738 1 53 THR H 1 89 GLY H 0.000 . 5.000 3.656 3.656 3.656 . 0 0 "[ ]" 1
739 1 54 TRP HA 1 55 HIS H 0.000 . 2.900 2.177 2.177 2.177 . 0 0 "[ ]" 1
740 1 54 TRP HA 1 86 PHE H 0.000 . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
741 1 54 TRP HA 1 88 SER H 0.000 . 5.000 3.240 3.240 3.240 . 0 0 "[ ]" 1
742 1 54 TRP QB 1 55 HIS H 0.000 . 4.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
743 1 54 TRP QB 1 86 PHE H 0.000 . 6.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
744 1 54 TRP H 1 54 TRP HD1 0.000 . 3.500 2.561 2.561 2.561 . 0 0 "[ ]" 1
745 1 54 TRP H 1 54 TRP HE1 0.000 . 5.000 5.034 5.034 5.034 0.034 1 0 "[ ]" 1
746 1 54 TRP HE1 1 87 LYS QB 0.000 . 6.000 4.969 4.969 4.969 . 0 0 "[ ]" 1
747 1 54 TRP HE1 1 87 LYS QD 0.000 . 4.500 2.625 2.625 2.625 . 0 0 "[ ]" 1
748 1 54 TRP HE1 1 87 LYS QE 0.000 . 4.500 3.040 3.040 3.040 . 0 0 "[ ]" 1
749 1 54 TRP HE1 1 87 LYS QG 0.000 . 6.000 3.241 3.241 3.241 . 0 0 "[ ]" 1
750 1 54 TRP HE3 1 55 HIS H 0.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
751 1 54 TRP HE3 1 86 PHE H 0.000 . 5.000 3.104 3.104 3.104 . 0 0 "[ ]" 1
752 1 54 TRP HE3 1 87 LYS H 0.000 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
753 1 54 TRP HH2 1 73 PHE H 0.000 . 5.000 5.080 5.080 5.080 0.080 1 0 "[ ]" 1
754 1 54 TRP H 1 55 HIS H 0.000 . 5.000 4.464 4.464 4.464 . 0 0 "[ ]" 1
755 1 54 TRP H 1 87 LYS QG 0.000 . 6.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
756 1 55 HIS H 1 55 HIS HA 0.000 . 2.900 2.938 2.938 2.938 0.038 1 0 "[ ]" 1
757 1 55 HIS HA 1 56 CYS H 0.000 . 2.900 2.199 2.199 2.199 . 0 0 "[ ]" 1
758 1 55 HIS HA 2 67 THR H 0.000 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
759 1 55 HIS QB 1 56 CYS H 0.000 . 6.000 3.209 3.209 3.209 . 0 0 "[ ]" 1
760 1 55 HIS QB 2 67 THR H 0.000 . 6.000 4.806 4.806 4.806 . 0 0 "[ ]" 1
761 1 55 HIS QB 1 86 PHE H 0.000 . 6.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
762 1 55 HIS H 1 55 HIS HD2 0.000 . 3.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
763 1 55 HIS HD2 1 88 SER H 0.000 . 5.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
764 1 55 HIS H 1 56 CYS H 0.000 . 5.000 4.363 4.363 4.363 . 0 0 "[ ]" 1
765 1 55 HIS H 1 85 LEU HA 0.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
766 1 55 HIS H 1 85 LEU MD1 0.000 . 6.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
767 1 55 HIS H 1 85 LEU MD2 0.000 . 6.500 5.907 5.907 5.907 . 0 0 "[ ]" 1
768 1 55 HIS H 1 85 LEU HG 0.000 . 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 1
769 1 55 HIS H 1 86 PHE HA 0.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
770 1 55 HIS H 1 86 PHE QD 0.000 . 7.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
771 1 55 HIS H 1 86 PHE QE 0.000 . 7.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
772 1 55 HIS H 1 86 PHE H 0.000 . 5.000 2.814 2.814 2.814 . 0 0 "[ ]" 1
773 1 55 HIS H 1 87 LYS HA 0.000 . 3.500 2.959 2.959 2.959 . 0 0 "[ ]" 1
774 1 55 HIS H 1 87 LYS QB 0.000 . 6.000 4.981 4.981 4.981 . 0 0 "[ ]" 1
775 1 55 HIS H 1 88 SER H 0.000 . 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
776 1 56 CYS HA 1 57 ILE H 0.000 . 2.900 2.155 2.155 2.155 . 0 0 "[ ]" 1
777 1 56 CYS HA 1 84 LEU H 0.000 . 5.000 4.763 4.763 4.763 . 0 0 "[ ]" 1
778 1 56 CYS HA 1 86 PHE H 0.000 . 5.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
779 1 56 CYS QB 1 57 ILE H 0.000 . 6.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
780 1 56 CYS QB 1 86 PHE H 0.000 . 6.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
781 1 56 CYS H 1 57 ILE MD 0.000 . 6.500 3.070 3.070 3.070 . 0 0 "[ ]" 1
782 1 56 CYS H 1 57 ILE H 0.000 . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
783 1 56 CYS H 2 64 SER HA 0.000 . 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 1
784 1 56 CYS H 2 64 SER QB 0.000 . 6.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
785 1 56 CYS H 2 65 TYR QD 0.000 . 7.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
786 1 56 CYS H 2 65 TYR QE 0.000 . 7.000 6.180 6.180 6.180 . 0 0 "[ ]" 1
787 1 56 CYS H 2 65 TYR H 0.000 . 5.000 3.327 3.327 3.327 . 0 0 "[ ]" 1
788 1 56 CYS H 2 66 VAL HA 0.000 . 5.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
789 1 56 CYS H 2 66 VAL MG2 0.000 . 6.500 5.464 5.464 5.464 . 0 0 "[ ]" 1
790 1 56 CYS H 1 85 LEU HA 0.000 . 5.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
791 1 56 CYS H 1 85 LEU MD1 0.000 . 5.000 4.199 4.199 4.199 . 0 0 "[ ]" 1
792 1 57 ILE HA 1 58 VAL H 0.000 . 2.900 2.242 2.242 2.242 . 0 0 "[ ]" 1
793 1 57 ILE HA 2 64 SER H 0.000 . 5.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
794 1 57 ILE HA 2 65 TYR H 0.000 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
795 1 57 ILE H 1 57 ILE HB 0.000 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
796 1 57 ILE HB 1 58 VAL H 0.000 . 3.500 3.614 3.614 3.614 0.114 1 0 "[ ]" 1
797 1 57 ILE HB 1 84 LEU H 0.000 . 5.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
798 1 57 ILE H 1 57 ILE MD 0.000 . 5.000 2.167 2.167 2.167 . 0 0 "[ ]" 1
799 1 57 ILE MD 2 65 TYR H 0.000 . 6.500 4.222 4.222 4.222 . 0 0 "[ ]" 1
800 1 57 ILE MG 1 58 VAL H 0.000 . 5.000 1.849 1.849 1.849 . 0 0 "[ ]" 1
801 1 57 ILE MG 1 59 GLY H 0.000 . 6.500 3.948 3.948 3.948 . 0 0 "[ ]" 1
802 1 57 ILE MG 2 62 PHE H 0.000 . 6.500 5.938 5.938 5.938 . 0 0 "[ ]" 1
803 1 57 ILE MG 2 63 GLY H 0.000 . 6.500 3.814 3.814 3.814 . 0 0 "[ ]" 1
804 1 57 ILE MG 1 84 LEU H 0.000 . 6.500 4.098 4.098 4.098 . 0 0 "[ ]" 1
805 1 57 ILE H 1 58 VAL H 0.000 . 5.000 4.353 4.353 4.353 . 0 0 "[ ]" 1
806 1 57 ILE H 2 65 TYR H 0.000 . 5.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
807 1 57 ILE H 1 83 ILE HA 0.000 . 5.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
808 1 57 ILE H 1 83 ILE MG 0.000 . 6.500 4.200 4.200 4.200 . 0 0 "[ ]" 1
809 1 57 ILE H 1 84 LEU HA 0.000 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
810 1 57 ILE H 1 84 LEU QB 0.000 . 6.000 2.804 2.804 2.804 . 0 0 "[ ]" 1
811 1 57 ILE H 1 84 LEU MD2 0.000 . 6.500 4.224 4.224 4.224 . 0 0 "[ ]" 1
812 1 57 ILE H 1 84 LEU HG 0.000 . 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
813 1 57 ILE H 1 84 LEU H 0.000 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
814 1 57 ILE H 1 85 LEU HA 0.000 . 5.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
815 1 57 ILE H 1 85 LEU QB 0.000 . 6.000 4.584 4.584 4.584 . 0 0 "[ ]" 1
816 1 57 ILE H 1 85 LEU MD1 0.000 . 6.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
817 1 57 ILE H 1 86 PHE QD 0.000 . 7.000 4.968 4.968 4.968 . 0 0 "[ ]" 1
818 1 58 VAL HA 1 59 GLY H 0.000 . 2.900 2.166 2.166 2.166 . 0 0 "[ ]" 1
819 1 58 VAL HA 1 82 ALA H 0.000 . 5.000 4.729 4.729 4.729 . 0 0 "[ ]" 1
820 1 58 VAL HA 1 84 LEU H 0.000 . 5.000 3.414 3.414 3.414 . 0 0 "[ ]" 1
821 1 58 VAL H 1 58 VAL HB 0.000 . 3.500 2.959 2.959 2.959 . 0 0 "[ ]" 1
822 1 58 VAL HB 1 59 GLY H 0.000 . 5.000 4.242 4.242 4.242 . 0 0 "[ ]" 1
823 1 58 VAL HB 2 63 GLY H 0.000 . 5.000 3.847 3.847 3.847 . 0 0 "[ ]" 1
824 1 58 VAL MG1 1 59 GLY H 0.000 . 5.000 2.818 2.818 2.818 . 0 0 "[ ]" 1
825 1 58 VAL MG1 1 82 ALA H 0.000 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
826 1 58 VAL MG2 1 59 GLY H 0.000 . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
827 1 58 VAL MG2 1 84 LEU H 0.000 . 6.500 3.183 3.183 3.183 . 0 0 "[ ]" 1
828 1 58 VAL H 1 59 GLY H 0.000 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
829 1 58 VAL H 2 62 PHE HA 0.000 . 5.000 4.924 4.924 4.924 . 0 0 "[ ]" 1
830 1 58 VAL H 2 62 PHE QB 0.000 . 6.000 3.665 3.665 3.665 . 0 0 "[ ]" 1
831 1 58 VAL H 2 62 PHE QD 0.000 . 7.000 4.033 4.033 4.033 . 0 0 "[ ]" 1
832 1 58 VAL H 2 62 PHE QE 0.000 . 7.000 5.926 5.926 5.926 . 0 0 "[ ]" 1
833 1 58 VAL H 2 63 GLY H 0.000 . 5.000 3.385 3.385 3.385 . 0 0 "[ ]" 1
834 1 58 VAL H 2 64 SER HA 0.000 . 5.000 3.420 3.420 3.420 . 0 0 "[ ]" 1
835 1 58 VAL H 2 64 SER QB 0.000 . 6.000 3.024 3.024 3.024 . 0 0 "[ ]" 1
836 1 58 VAL H 2 64 SER H 0.000 . 5.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
837 1 59 GLY QA 1 60 ARG H 0.000 . 4.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
838 1 59 GLY QA 1 61 ASN H 0.000 . 6.000 3.157 3.157 3.157 . 0 0 "[ ]" 1
839 1 59 GLY QA 2 62 PHE H 0.000 . 4.500 4.317 4.317 4.317 . 0 0 "[ ]" 1
840 1 59 GLY QA 2 63 GLY H 0.000 . 6.000 2.965 2.965 2.965 . 0 0 "[ ]" 1
841 1 59 GLY QA 1 82 ALA H 0.000 . 6.000 4.223 4.223 4.223 . 0 0 "[ ]" 1
842 1 59 GLY H 1 60 ARG H 0.000 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
843 1 59 GLY H 2 62 PHE QB 0.000 . 6.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
844 1 59 GLY H 1 62 PHE QD 0.000 . 7.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
845 1 59 GLY H 1 62 PHE QE 0.000 . 5.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
846 1 59 GLY H 1 62 PHE HZ 0.000 . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
847 1 59 GLY H 2 63 GLY H 0.000 . 5.000 4.686 4.686 4.686 . 0 0 "[ ]" 1
848 1 59 GLY H 1 81 VAL HA 0.000 . 5.000 4.730 4.730 4.730 . 0 0 "[ ]" 1
849 1 59 GLY H 1 81 VAL HB 0.000 . 5.000 4.022 4.022 4.022 . 0 0 "[ ]" 1
850 1 59 GLY H 1 81 VAL MG1 0.000 . 6.500 5.257 5.257 5.257 . 0 0 "[ ]" 1
851 1 59 GLY H 1 81 VAL MG2 0.000 . 6.500 4.727 4.727 4.727 . 0 0 "[ ]" 1
852 1 59 GLY H 1 82 ALA MB 0.000 . 6.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
853 1 59 GLY H 1 82 ALA H 0.000 . 5.000 3.139 3.139 3.139 . 0 0 "[ ]" 1
854 1 59 GLY H 1 83 ILE HA 0.000 . 5.000 4.057 4.057 4.057 . 0 0 "[ ]" 1
855 1 59 GLY H 1 83 ILE MG 0.000 . 6.500 5.546 5.546 5.546 . 0 0 "[ ]" 1
856 1 59 GLY H 1 83 ILE H 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
857 1 59 GLY H 1 84 LEU H 0.000 . 5.000 5.048 5.048 5.048 0.048 1 0 "[ ]" 1
858 1 60 ARG HA 1 61 ASN H 0.000 . 5.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
859 1 60 ARG HA 1 82 ALA H 0.000 . 5.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
860 1 60 ARG QB 1 61 ASN H 0.000 . 6.000 2.769 2.769 2.769 . 0 0 "[ ]" 1
861 1 60 ARG QB 1 82 ALA H 0.000 . 6.000 5.363 5.363 5.363 . 0 0 "[ ]" 1
862 1 60 ARG H 1 60 ARG QD 0.000 . 6.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
863 1 60 ARG H 1 60 ARG QG 0.000 . 4.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
864 1 60 ARG QG 1 61 ASN H 0.000 . 6.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
865 1 60 ARG QG 1 82 ALA H 0.000 . 6.000 5.142 5.142 5.142 . 0 0 "[ ]" 1
866 1 60 ARG H 1 61 ASN HA 0.000 . 5.000 5.060 5.060 5.060 0.060 1 0 "[ ]" 1
867 1 60 ARG H 2 61 ASN QB 0.000 . 4.500 3.720 3.720 3.720 . 0 0 "[ ]" 1
868 1 60 ARG H 1 61 ASN H 0.000 . 2.900 2.518 2.518 2.518 . 0 0 "[ ]" 1
869 1 60 ARG H 2 62 PHE HA 0.000 . 5.000 3.307 3.307 3.307 . 0 0 "[ ]" 1
870 1 60 ARG H 1 62 PHE QD 0.000 . 7.000 4.607 4.607 4.607 . 0 0 "[ ]" 1
871 1 60 ARG H 1 62 PHE QE 0.000 . 7.000 5.199 5.199 5.199 . 0 0 "[ ]" 1
872 1 60 ARG H 2 62 PHE H 0.000 . 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
873 1 60 ARG H 1 81 VAL HA 0.000 . 5.000 5.033 5.033 5.033 0.033 1 0 "[ ]" 1
874 1 60 ARG H 1 81 VAL MG2 0.000 . 6.500 6.210 6.210 6.210 . 0 0 "[ ]" 1
875 1 61 ASN HA 1 61 ASN HD22 0.000 . 5.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
876 1 61 ASN HA 1 62 PHE H 0.000 . 2.900 2.174 2.174 2.174 . 0 0 "[ ]" 1
877 1 61 ASN H 1 61 ASN QB 0.000 . 3.500 3.376 3.376 3.376 . 0 0 "[ ]" 1
878 1 61 ASN QB 1 62 PHE H 0.000 . 6.000 3.023 3.023 3.023 . 0 0 "[ ]" 1
879 1 61 ASN HD21 1 62 PHE H 0.000 . 5.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
880 1 61 ASN H 2 62 PHE HA 0.000 . 5.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
881 1 61 ASN H 1 62 PHE QB 0.000 . 6.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
882 1 61 ASN H 1 62 PHE QD 0.000 . 5.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
883 1 61 ASN H 1 62 PHE QE 0.000 . 7.000 4.520 4.520 4.520 . 0 0 "[ ]" 1
884 1 61 ASN H 1 62 PHE H 0.000 . 5.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
885 1 62 PHE HA 1 63 GLY H 0.000 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
886 1 62 PHE QB 1 63 GLY H 0.000 . 4.500 1.909 1.909 1.909 . 0 0 "[ ]" 1
887 1 62 PHE QD 1 63 GLY H 0.000 . 7.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
888 1 62 PHE QD 1 64 SER H 0.000 . 7.000 4.554 4.554 4.554 . 0 0 "[ ]" 1
889 1 62 PHE H 1 62 PHE QE 0.000 . 7.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
890 1 62 PHE QE 1 63 GLY H 0.000 . 7.000 4.837 4.837 4.837 . 0 0 "[ ]" 1
891 1 62 PHE QE 1 64 SER H 0.000 . 7.000 5.021 5.021 5.021 . 0 0 "[ ]" 1
892 1 62 PHE QE 1 84 LEU H 0.000 . 7.000 4.787 4.787 4.787 . 0 0 "[ ]" 1
893 1 62 PHE H 1 63 GLY H 0.000 . 5.000 4.335 4.335 4.335 . 0 0 "[ ]" 1
894 1 62 PHE HZ 1 84 LEU H 0.000 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
895 1 63 GLY QA 1 64 SER H 0.000 . 4.500 2.207 2.207 2.207 . 0 0 "[ ]" 1
896 1 63 GLY H 1 64 SER H 0.000 . 5.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
897 1 64 SER HA 1 65 TYR H 0.000 . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 1
898 1 64 SER QB 1 65 TYR H 0.000 . 4.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
899 1 64 SER H 1 65 TYR H 0.000 . 5.000 4.335 4.335 4.335 . 0 0 "[ ]" 1
900 1 65 TYR HA 1 66 VAL H 0.000 . 2.900 2.220 2.220 2.220 . 0 0 "[ ]" 1
901 1 65 TYR QB 1 66 VAL H 0.000 . 6.000 3.797 3.797 3.797 . 0 0 "[ ]" 1
902 1 65 TYR QD 1 66 VAL H 0.000 . 7.000 1.903 1.903 1.903 . 0 0 "[ ]" 1
903 1 65 TYR H 1 65 TYR QE 0.000 . 7.000 6.341 6.341 6.341 . 0 0 "[ ]" 1
904 1 65 TYR QE 1 66 VAL H 0.000 . 7.000 3.755 3.755 3.755 . 0 0 "[ ]" 1
905 1 65 TYR H 1 66 VAL HA 0.000 . 5.000 5.066 5.066 5.066 0.066 1 0 "[ ]" 1
906 1 65 TYR H 1 66 VAL MG1 0.000 . 6.500 3.420 3.420 3.420 . 0 0 "[ ]" 1
907 1 65 TYR H 1 66 VAL MG2 0.000 . 6.500 4.813 4.813 4.813 . 0 0 "[ ]" 1
908 1 65 TYR H 1 66 VAL H 0.000 . 5.000 4.386 4.386 4.386 . 0 0 "[ ]" 1
909 1 66 VAL HA 1 67 THR H 0.000 . 2.900 2.232 2.232 2.232 . 0 0 "[ ]" 1
910 1 66 VAL HB 1 67 THR H 0.000 . 3.500 2.771 2.771 2.771 . 0 0 "[ ]" 1
911 1 66 VAL MG1 1 67 THR H 0.000 . 6.500 3.738 3.738 3.738 . 0 0 "[ ]" 1
912 1 66 VAL MG1 1 68 HIS H 0.000 . 6.500 6.516 6.516 6.516 0.016 1 0 "[ ]" 1
913 1 66 VAL MG2 1 67 THR H 0.000 . 6.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
914 1 66 VAL MG2 1 68 HIS H 0.000 . 6.500 4.619 4.619 4.619 . 0 0 "[ ]" 1
915 1 66 VAL H 1 67 THR H 0.000 . 5.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
916 1 67 THR HA 1 68 HIS H 0.000 . 2.900 2.143 2.143 2.143 . 0 0 "[ ]" 1
917 1 67 THR H 1 67 THR HB 0.000 . 3.500 2.568 2.568 2.568 . 0 0 "[ ]" 1
918 1 67 THR HB 1 68 HIS H 0.000 . 5.000 4.112 4.112 4.112 . 0 0 "[ ]" 1
919 1 67 THR MG 1 68 HIS H 0.000 . 4.400 2.565 2.565 2.565 . 0 0 "[ ]" 1
920 1 67 THR H 1 68 HIS QB 0.000 . 6.000 5.314 5.314 5.314 . 0 0 "[ ]" 1
921 1 67 THR H 1 68 HIS H 0.000 . 5.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
922 1 67 THR H 1 86 PHE QE 0.000 . 7.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
923 1 68 HIS HA 1 69 GLU H 0.000 . 2.900 2.635 2.635 2.635 . 0 0 "[ ]" 1
924 1 68 HIS HA 1 87 LYS H 0.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 1
925 1 68 HIS HA 1 88 SER H 0.000 . 5.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
926 1 68 HIS HA 1 89 GLY H 0.000 . 5.000 5.067 5.067 5.067 0.067 1 0 "[ ]" 1
927 1 68 HIS QB 1 69 GLU H 0.000 . 4.500 1.997 1.997 1.997 . 0 0 "[ ]" 1
928 1 68 HIS QB 1 87 LYS H 0.000 . 6.000 3.218 3.218 3.218 . 0 0 "[ ]" 1
929 1 68 HIS H 1 68 HIS HD2 0.000 . 3.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
930 1 68 HIS HE1 1 70 THR H 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
931 1 68 HIS HE1 1 71 LYS H 0.000 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
932 1 68 HIS HE1 1 72 HIS H 0.000 . 5.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
933 1 68 HIS H 1 69 GLU H 0.000 . 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
934 1 68 HIS H 1 86 PHE QD 0.000 . 7.000 4.208 4.208 4.208 . 0 0 "[ ]" 1
935 1 68 HIS H 1 86 PHE QE 0.000 . 7.000 5.093 5.093 5.093 . 0 0 "[ ]" 1
936 1 69 GLU HA 1 70 THR H 0.000 . 3.500 3.299 3.299 3.299 . 0 0 "[ ]" 1
937 1 69 GLU H 1 69 GLU QB 0.000 . 3.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
938 1 69 GLU QB 1 70 THR H 0.000 . 6.000 1.791 1.791 1.791 . 0 0 "[ ]" 1
939 1 69 GLU QB 1 72 HIS H 0.000 . 6.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
940 1 69 GLU QB 1 87 LYS H 0.000 . 6.000 4.601 4.601 4.601 . 0 0 "[ ]" 1
941 1 69 GLU QB 1 89 GLY H 0.000 . 6.000 5.172 5.172 5.172 . 0 0 "[ ]" 1
942 1 69 GLU QG 1 70 THR H 0.000 . 6.000 3.685 3.685 3.685 . 0 0 "[ ]" 1
943 1 69 GLU QG 1 89 GLY H 0.000 . 6.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
944 1 69 GLU H 1 70 THR H 0.000 . 5.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
945 1 69 GLU H 1 72 HIS QB 0.000 . 6.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
946 1 69 GLU H 1 86 PHE QB 0.000 . 6.000 4.514 4.514 4.514 . 0 0 "[ ]" 1
947 1 69 GLU H 1 86 PHE QD 0.000 . 7.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
948 1 69 GLU H 1 87 LYS QG 0.000 . 6.000 5.065 5.065 5.065 . 0 0 "[ ]" 1
949 1 69 GLU H 1 87 LYS QB 0.000 . 6.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
950 1 69 GLU H 1 87 LYS H 0.000 . 5.000 3.983 3.983 3.983 . 0 0 "[ ]" 1
951 1 69 GLU H 1 88 SER HA 0.000 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1
952 1 69 GLU H 1 88 SER H 0.000 . 5.000 4.940 4.940 4.940 . 0 0 "[ ]" 1
953 1 70 THR HA 1 71 LYS H 0.000 . 2.900 2.203 2.203 2.203 . 0 0 "[ ]" 1
954 1 70 THR HA 1 72 HIS H 0.000 . 3.500 3.274 3.274 3.274 . 0 0 "[ ]" 1
955 1 70 THR HB 1 71 LYS H 0.000 . 5.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
956 1 70 THR HB 1 72 HIS H 0.000 . 5.000 5.092 5.092 5.092 0.092 1 0 "[ ]" 1
957 1 70 THR MG 1 71 LYS H 0.000 . 6.500 2.228 2.228 2.228 . 0 0 "[ ]" 1
958 1 70 THR MG 1 72 HIS H 0.000 . 6.500 4.265 4.265 4.265 . 0 0 "[ ]" 1
959 1 70 THR H 1 71 LYS H 0.000 . 5.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
960 1 70 THR H 1 72 HIS H 0.000 . 5.000 3.750 3.750 3.750 . 0 0 "[ ]" 1
961 1 71 LYS H 1 71 LYS HA 0.000 . 2.900 2.271 2.271 2.271 . 0 0 "[ ]" 1
962 1 71 LYS HA 1 72 HIS H 0.000 . 3.500 3.070 3.070 3.070 . 0 0 "[ ]" 1
963 1 71 LYS HA 1 73 PHE H 0.000 . 5.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
964 1 71 LYS QB 1 72 HIS H 0.000 . 6.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
965 1 71 LYS H 1 71 LYS QD 0.000 . 6.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
966 1 71 LYS QD 1 72 HIS H 0.000 . 6.000 5.842 5.842 5.842 . 0 0 "[ ]" 1
967 1 71 LYS H 1 71 LYS QE 0.000 . 6.000 5.156 5.156 5.156 . 0 0 "[ ]" 1
968 1 71 LYS QE 1 72 HIS H 0.000 . 6.000 5.888 5.888 5.888 . 0 0 "[ ]" 1
969 1 71 LYS QG 1 72 HIS H 0.000 . 6.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
970 1 71 LYS H 1 72 HIS H 0.000 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
971 1 71 LYS H 1 73 PHE H 0.000 . 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
972 1 72 HIS HA 1 73 PHE H 0.000 . 2.900 2.397 2.397 2.397 . 0 0 "[ ]" 1
973 1 72 HIS HA 1 87 LYS H 0.000 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
974 1 72 HIS QB 1 73 PHE H 0.000 . 6.000 3.879 3.879 3.879 . 0 0 "[ ]" 1
975 1 72 HIS QB 1 87 LYS H 0.000 . 6.000 2.691 2.691 2.691 . 0 0 "[ ]" 1
976 1 72 HIS H 1 73 PHE HA 0.000 . 5.000 4.854 4.854 4.854 . 0 0 "[ ]" 1
977 1 72 HIS H 1 73 PHE QD 0.000 . 7.000 5.560 5.560 5.560 . 0 0 "[ ]" 1
978 1 72 HIS H 1 73 PHE H 0.000 . 5.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
979 1 72 HIS H 1 87 LYS QB 0.000 . 6.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
980 1 72 HIS H 1 87 LYS H 0.000 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
981 1 73 PHE H 1 73 PHE HA 0.000 . 2.900 2.894 2.894 2.894 . 0 0 "[ ]" 1
982 1 73 PHE HA 1 74 ILE H 0.000 . 2.900 2.228 2.228 2.228 . 0 0 "[ ]" 1
983 1 73 PHE HA 1 86 PHE H 0.000 . 5.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
984 1 73 PHE HA 1 87 LYS H 0.000 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
985 1 73 PHE QB 1 74 ILE H 0.000 . 6.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
986 1 73 PHE QD 1 74 ILE H 0.000 . 7.000 3.161 3.161 3.161 . 0 0 "[ ]" 1
987 1 73 PHE QD 1 75 TYR H 0.000 . 7.000 5.359 5.359 5.359 . 0 0 "[ ]" 1
988 1 73 PHE QE 1 75 TYR H 0.000 . 7.000 5.005 5.005 5.005 . 0 0 "[ ]" 1
989 1 73 PHE H 1 74 ILE H 0.000 . 5.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
990 1 73 PHE H 1 86 PHE HA 0.000 . 5.000 4.374 4.374 4.374 . 0 0 "[ ]" 1
991 1 74 ILE HA 1 75 TYR H 0.000 . 2.900 2.216 2.216 2.216 . 0 0 "[ ]" 1
992 1 74 ILE HB 1 75 TYR H 0.000 . 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
993 1 74 ILE MD 1 75 TYR H 0.000 . 6.500 3.830 3.830 3.830 . 0 0 "[ ]" 1
994 1 74 ILE H 1 74 ILE MG 0.000 . 4.400 2.465 2.465 2.465 . 0 0 "[ ]" 1
995 1 74 ILE MG 1 75 TYR H 0.000 . 6.500 3.753 3.753 3.753 . 0 0 "[ ]" 1
996 1 74 ILE MG 1 76 PHE H 0.000 . 6.500 5.206 5.206 5.206 . 0 0 "[ ]" 1
997 1 74 ILE MG 1 85 LEU H 0.000 . 5.000 3.229 3.229 3.229 . 0 0 "[ ]" 1
998 1 74 ILE H 1 75 TYR HA 0.000 . 5.000 4.834 4.834 4.834 . 0 0 "[ ]" 1
999 1 74 ILE H 1 75 TYR H 0.000 . 5.000 4.249 4.249 4.249 . 0 0 "[ ]" 1
1000 1 74 ILE H 1 84 LEU MD1 0.000 . 6.500 3.262 3.262 3.262 . 0 0 "[ ]" 1
1001 1 74 ILE H 1 85 LEU QB 0.000 . 6.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
1002 1 74 ILE H 1 85 LEU MD2 0.000 . 6.500 5.218 5.218 5.218 . 0 0 "[ ]" 1
1003 1 74 ILE H 1 85 LEU HG 0.000 . 5.000 4.769 4.769 4.769 . 0 0 "[ ]" 1
1004 1 74 ILE H 1 85 LEU H 0.000 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
1005 1 74 ILE H 1 86 PHE HA 0.000 . 5.000 3.481 3.481 3.481 . 0 0 "[ ]" 1
1006 1 74 ILE H 1 86 PHE QB 0.000 . 6.000 2.535 2.535 2.535 . 0 0 "[ ]" 1
1007 1 74 ILE H 1 86 PHE QD 0.000 . 7.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
1008 1 75 TYR HA 1 76 PHE H 0.000 . 2.900 2.228 2.228 2.228 . 0 0 "[ ]" 1
1009 1 75 TYR HA 1 83 ILE H 0.000 . 5.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
1010 1 75 TYR HA 1 85 LEU H 0.000 . 5.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
1011 1 75 TYR QB 1 76 PHE H 0.000 . 4.500 3.615 3.615 3.615 . 0 0 "[ ]" 1
1012 1 75 TYR QB 1 85 LEU H 0.000 . 6.000 3.685 3.685 3.685 . 0 0 "[ ]" 1
1013 1 75 TYR QD 1 76 PHE H 0.000 . 5.500 2.868 2.868 2.868 . 0 0 "[ ]" 1
1014 1 75 TYR QD 1 83 ILE H 0.000 . 7.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
1015 1 75 TYR QD 1 84 LEU H 0.000 . 7.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
1016 1 75 TYR QD 1 85 LEU H 0.000 . 7.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
1017 1 75 TYR QE 1 76 PHE H 0.000 . 7.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
1018 1 75 TYR QE 1 83 ILE H 0.000 . 7.000 3.866 3.866 3.866 . 0 0 "[ ]" 1
1019 1 75 TYR QE 1 85 LEU H 0.000 . 7.000 5.923 5.923 5.923 . 0 0 "[ ]" 1
1020 1 75 TYR H 1 76 PHE HA 0.000 . 5.000 4.986 4.986 4.986 . 0 0 "[ ]" 1
1021 1 75 TYR H 1 76 PHE QB 0.000 . 6.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
1022 1 75 TYR H 1 76 PHE QD 0.000 . 7.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
1023 1 75 TYR H 1 76 PHE H 0.000 . 5.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
1024 1 76 PHE HA 1 77 TYR H 0.000 . 3.500 2.215 2.215 2.215 . 0 0 "[ ]" 1
1025 1 76 PHE QB 1 77 TYR H 0.000 . 4.500 2.803 2.803 2.803 . 0 0 "[ ]" 1
1026 1 76 PHE QB 1 83 ILE H 0.000 . 6.000 5.226 5.226 5.226 . 0 0 "[ ]" 1
1027 1 76 PHE H 1 76 PHE QD 0.000 . 5.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
1028 1 76 PHE QD 1 77 TYR H 0.000 . 7.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
1029 1 76 PHE QD 1 83 ILE H 0.000 . 7.000 4.260 4.260 4.260 . 0 0 "[ ]" 1
1030 1 76 PHE H 1 76 PHE QE 0.000 . 5.500 4.754 4.754 4.754 . 0 0 "[ ]" 1
1031 1 76 PHE QE 1 83 ILE H 0.000 . 7.000 5.161 5.161 5.161 . 0 0 "[ ]" 1
1032 1 76 PHE QE 1 85 LEU H 0.000 . 7.000 6.210 6.210 6.210 . 0 0 "[ ]" 1
1033 1 76 PHE H 1 77 TYR H 0.000 . 5.000 4.270 4.270 4.270 . 0 0 "[ ]" 1
1034 1 76 PHE H 1 82 ALA HA 0.000 . 5.000 4.958 4.958 4.958 . 0 0 "[ ]" 1
1035 1 76 PHE H 1 82 ALA MB 0.000 . 6.500 5.009 5.009 5.009 . 0 0 "[ ]" 1
1036 1 76 PHE H 1 83 ILE HA 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1037 1 76 PHE H 1 83 ILE HB 0.000 . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
1038 1 76 PHE H 1 83 ILE MG 0.000 . 6.500 4.366 4.366 4.366 . 0 0 "[ ]" 1
1039 1 76 PHE H 1 83 ILE H 0.000 . 3.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
1040 1 76 PHE H 1 84 LEU HA 0.000 . 5.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
1041 1 76 PHE H 1 84 LEU QB 0.000 . 6.000 4.718 4.718 4.718 . 0 0 "[ ]" 1
1042 1 76 PHE H 1 84 LEU MD2 0.000 . 6.500 6.286 6.286 6.286 . 0 0 "[ ]" 1
1043 1 76 PHE H 1 85 LEU H 0.000 . 5.000 5.046 5.046 5.046 0.046 1 0 "[ ]" 1
1044 1 77 TYR HA 1 78 LEU H 0.000 . 2.900 2.154 2.154 2.154 . 0 0 "[ ]" 1
1045 1 77 TYR HA 1 81 VAL H 0.000 . 5.000 5.075 5.075 5.075 0.075 1 0 "[ ]" 1
1046 1 77 TYR HA 1 82 ALA H 0.000 . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
1047 1 77 TYR HA 1 83 ILE H 0.000 . 3.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
1048 1 77 TYR QB 1 78 LEU H 0.000 . 4.500 3.271 3.271 3.271 . 0 0 "[ ]" 1
1049 1 77 TYR QB 1 79 GLY H 0.000 . 6.000 4.945 4.945 4.945 . 0 0 "[ ]" 1
1050 1 77 TYR QB 1 81 VAL H 0.000 . 6.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
1051 1 77 TYR QD 1 78 LEU H 0.000 . 7.000 4.179 4.179 4.179 . 0 0 "[ ]" 1
1052 1 77 TYR QD 1 81 VAL H 0.000 . 7.000 5.553 5.553 5.553 . 0 0 "[ ]" 1
1053 1 77 TYR QD 1 83 ILE H 0.000 . 7.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
1054 1 77 TYR H 1 77 TYR QE 0.000 . 7.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
1055 1 77 TYR H 1 78 LEU H 0.000 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
1056 1 78 LEU HA 1 79 GLY H 0.000 . 2.900 2.161 2.161 2.161 . 0 0 "[ ]" 1
1057 1 78 LEU H 1 78 LEU QB 0.000 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
1058 1 78 LEU QB 1 79 GLY H 0.000 . 4.500 3.785 3.785 3.785 . 0 0 "[ ]" 1
1059 1 78 LEU QB 1 81 VAL H 0.000 . 6.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
1060 1 78 LEU MD1 1 79 GLY H 0.000 . 5.000 2.065 2.065 2.065 . 0 0 "[ ]" 1
1061 1 78 LEU H 1 78 LEU HG 0.000 . 5.000 4.401 4.401 4.401 . 0 0 "[ ]" 1
1062 1 78 LEU HG 1 79 GLY H 0.000 . 5.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
1063 1 78 LEU H 1 79 GLY H 0.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
1064 1 78 LEU H 1 81 VAL MG1 0.000 . 5.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
1065 1 78 LEU H 1 81 VAL H 0.000 . 5.000 3.780 3.780 3.780 . 0 0 "[ ]" 1
1066 1 78 LEU H 1 82 ALA HA 0.000 . 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 1
1067 1 78 LEU H 1 83 ILE MD 0.000 . 6.500 3.342 3.342 3.342 . 0 0 "[ ]" 1
1068 1 78 LEU H 1 83 ILE H 0.000 . 5.000 4.110 4.110 4.110 . 0 0 "[ ]" 1
1069 1 79 GLY QA 1 80 GLN H 0.000 . 6.000 2.726 2.726 2.726 . 0 0 "[ ]" 1
1070 1 79 GLY QA 1 81 VAL H 0.000 . 6.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
1071 1 79 GLY H 1 80 GLN H 0.000 . 5.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
1072 1 79 GLY H 1 81 VAL H 0.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
1073 1 80 GLN HA 1 81 VAL H 0.000 . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 1
1074 1 80 GLN QB 1 81 VAL H 0.000 . 3.900 2.954 2.954 2.954 . 0 0 "[ ]" 1
1075 1 80 GLN QG 1 81 VAL H 0.000 . 4.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
1076 1 80 GLN H 1 81 VAL H 0.000 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
1077 1 81 VAL H 1 81 VAL HA 0.000 . 2.900 2.866 2.866 2.866 . 0 0 "[ ]" 1
1078 1 81 VAL HA 1 82 ALA H 0.000 . 2.900 2.173 2.173 2.173 . 0 0 "[ ]" 1
1079 1 81 VAL H 1 81 VAL HB 0.000 . 3.500 3.613 3.613 3.613 0.113 1 0 "[ ]" 1
1080 1 81 VAL HB 1 82 ALA H 0.000 . 3.500 3.129 3.129 3.129 . 0 0 "[ ]" 1
1081 1 81 VAL H 1 81 VAL MG1 0.000 . 4.400 2.298 2.298 2.298 . 0 0 "[ ]" 1
1082 1 81 VAL MG1 1 82 ALA H 0.000 . 5.000 4.018 4.018 4.018 . 0 0 "[ ]" 1
1083 1 81 VAL MG2 1 82 ALA H 0.000 . 5.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
1084 1 81 VAL H 1 82 ALA H 0.000 . 5.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
1085 1 82 ALA HA 1 83 ILE H 0.000 . 2.900 2.232 2.232 2.232 . 0 0 "[ ]" 1
1086 1 82 ALA MB 1 83 ILE H 0.000 . 4.400 2.899 2.899 2.899 . 0 0 "[ ]" 1
1087 1 82 ALA H 1 83 ILE H 0.000 . 5.000 4.607 4.607 4.607 . 0 0 "[ ]" 1
1088 1 83 ILE HA 1 84 LEU H 0.000 . 2.900 2.146 2.146 2.146 . 0 0 "[ ]" 1
1089 1 83 ILE H 1 83 ILE HB 0.000 . 3.500 2.840 2.840 2.840 . 0 0 "[ ]" 1
1090 1 83 ILE HB 1 84 LEU H 0.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
1091 1 83 ILE H 1 83 ILE MD 0.000 . 5.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
1092 1 83 ILE MG 1 84 LEU H 0.000 . 5.000 3.175 3.175 3.175 . 0 0 "[ ]" 1
1093 1 83 ILE MG 1 85 LEU H 0.000 . 6.500 4.698 4.698 4.698 . 0 0 "[ ]" 1
1094 1 83 ILE H 1 84 LEU H 0.000 . 5.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
1095 1 84 LEU HA 1 85 LEU H 0.000 . 2.900 2.198 2.198 2.198 . 0 0 "[ ]" 1
1096 1 84 LEU QB 1 85 LEU H 0.000 . 6.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
1097 1 84 LEU MD1 1 85 LEU H 0.000 . 5.000 2.016 2.016 2.016 . 0 0 "[ ]" 1
1098 1 84 LEU H 1 84 LEU HG 0.000 . 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
1099 1 84 LEU HG 1 85 LEU H 0.000 . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
1100 1 84 LEU H 1 85 LEU H 0.000 . 5.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
1101 1 85 LEU HA 1 86 PHE H 0.000 . 2.900 2.193 2.193 2.193 . 0 0 "[ ]" 1
1102 1 85 LEU QB 1 86 PHE H 0.000 . 6.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
1103 1 85 LEU MD1 1 86 PHE H 0.000 . 5.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
1104 1 85 LEU MD2 1 86 PHE H 0.000 . 6.500 4.372 4.372 4.372 . 0 0 "[ ]" 1
1105 1 85 LEU H 1 85 LEU HG 0.000 . 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
1106 1 85 LEU HG 1 86 PHE H 0.000 . 5.000 2.908 2.908 2.908 . 0 0 "[ ]" 1
1107 1 85 LEU H 1 86 PHE QD 0.000 . 7.000 3.045 3.045 3.045 . 0 0 "[ ]" 1
1108 1 85 LEU H 1 86 PHE H 0.000 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
1109 1 86 PHE H 1 86 PHE HA 0.000 . 2.900 2.825 2.825 2.825 . 0 0 "[ ]" 1
1110 1 86 PHE HA 1 87 LYS H 0.000 . 3.500 2.224 2.224 2.224 . 0 0 "[ ]" 1
1111 1 86 PHE QB 1 87 LYS H 0.000 . 6.000 2.945 2.945 2.945 . 0 0 "[ ]" 1
1112 1 86 PHE QD 1 87 LYS H 0.000 . 7.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
1113 1 86 PHE QD 1 88 SER H 0.000 . 7.000 4.921 4.921 4.921 . 0 0 "[ ]" 1
1114 1 86 PHE H 1 86 PHE QE 0.000 . 7.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
1115 1 86 PHE QE 1 87 LYS H 0.000 . 7.000 6.103 6.103 6.103 . 0 0 "[ ]" 1
1116 1 86 PHE H 1 87 LYS H 0.000 . 5.000 4.179 4.179 4.179 . 0 0 "[ ]" 1
1117 1 87 LYS HA 1 88 SER H 0.000 . 2.900 2.173 2.173 2.173 . 0 0 "[ ]" 1
1118 1 87 LYS QB 1 88 SER H 0.000 . 6.000 3.037 3.037 3.037 . 0 0 "[ ]" 1
1119 1 87 LYS H 1 87 LYS QD 0.000 . 6.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
1120 1 87 LYS QD 1 88 SER H 0.000 . 6.000 5.503 5.503 5.503 . 0 0 "[ ]" 1
1121 1 87 LYS QD 1 89 GLY H 0.000 . 6.000 5.777 5.777 5.777 . 0 0 "[ ]" 1
1122 1 87 LYS QG 1 88 SER H 0.000 . 6.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
1123 1 87 LYS QG 1 89 GLY H 0.000 . 6.000 5.002 5.002 5.002 . 0 0 "[ ]" 1
1124 1 87 LYS H 1 88 SER H 0.000 . 5.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
1125 1 88 SER H 1 88 SER HA 0.000 . 2.900 2.891 2.891 2.891 . 0 0 "[ ]" 1
1126 1 88 SER HA 1 89 GLY H 0.000 . 2.900 2.741 2.741 2.741 . 0 0 "[ ]" 1
1127 1 88 SER H 1 89 GLY H 0.000 . 5.000 2.375 2.375 2.375 . 0 0 "[ ]" 1
1128 2 8 ILE QG 2 9 LYS H 0.000 . 6.000 4.103 4.103 4.103 . 0 0 "[ ]" 1
1129 2 8 ILE QG 2 76 PHE H 0.000 . 6.000 5.270 5.270 5.270 . 0 0 "[ ]" 1
1130 2 12 ASP H 2 74 ILE QG 0.000 . 6.000 4.498 4.498 4.498 . 0 0 "[ ]" 1
1131 2 22 VAL H 2 74 ILE QG 0.000 . 6.000 5.658 5.658 5.658 . 0 0 "[ ]" 1
1132 2 25 ALA H 2 42 ILE QG 0.000 . 6.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
1133 2 28 ALA H 2 42 ILE QG 0.000 . 4.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
1134 2 32 TYR H 2 38 ILE QG 0.000 . 6.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
1135 2 33 ASN H 2 34 ILE QG 0.000 . 6.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
1136 2 34 ILE H 2 34 ILE QG 0.000 . 4.500 3.251 3.251 3.251 . 0 0 "[ ]" 1
1137 2 34 ILE QG 2 35 GLU H 0.000 . 6.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
1138 2 34 ILE QG 2 36 LYS H 0.000 . 6.000 5.030 5.030 5.030 . 0 0 "[ ]" 1
1139 2 34 ILE H 2 38 ILE QG 0.000 . 4.500 2.475 2.475 2.475 . 0 0 "[ ]" 1
1140 2 37 ASP H 2 38 ILE QG 0.000 . 6.000 3.763 3.763 3.763 . 0 0 "[ ]" 1
1141 2 38 ILE QG 2 39 ALA H 0.000 . 6.000 3.933 3.933 3.933 . 0 0 "[ ]" 1
1142 2 41 HIS H 2 42 ILE QG 0.000 . 6.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
1143 2 42 ILE H 2 42 ILE QG 0.000 . 4.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
1144 2 56 CYS H 2 57 ILE QG 0.000 . 6.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
1145 2 57 ILE QG 2 58 VAL H 0.000 . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
1146 2 59 GLY H 2 83 ILE QG 0.000 . 6.000 4.530 4.530 4.530 . 0 0 "[ ]" 1
1147 2 74 ILE QG 2 76 PHE H 0.000 . 6.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
1148 2 74 ILE QG 2 75 TYR H 0.000 . 6.000 2.214 2.214 2.214 . 0 0 "[ ]" 1
1149 2 76 PHE H 2 83 ILE QG 0.000 . 6.000 5.640 5.640 5.640 . 0 0 "[ ]" 1
1150 2 83 ILE QG 2 84 LEU H 0.000 . 6.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
1151 2 2 CYS HA 2 3 ASP H 0.000 . 5.000 2.725 2.725 2.725 . 0 0 "[ ]" 1
1152 2 3 ASP HA 2 4 ARG H 0.000 . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
1153 2 3 ASP QB 2 4 ARG H 0.000 . 6.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
1154 2 4 ARG HA 2 5 LYS H 0.000 . 2.900 2.148 2.148 2.148 . 0 0 "[ ]" 1
1155 2 5 LYS H 2 5 LYS HA 0.000 . 2.900 2.879 2.879 2.879 . 0 0 "[ ]" 1
1156 2 5 LYS HA 2 6 ALA H 0.000 . 3.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
1157 2 5 LYS HA 2 79 GLY H 0.000 . 5.000 4.165 4.165 4.165 . 0 0 "[ ]" 1
1158 2 5 LYS H 2 5 LYS QB 0.000 . 3.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
1159 2 5 LYS QB 2 6 ALA H 0.000 . 4.500 3.085 3.085 3.085 . 0 0 "[ ]" 1
1160 2 5 LYS QB 2 79 GLY H 0.000 . 6.000 3.446 3.446 3.446 . 0 0 "[ ]" 1
1161 2 5 LYS QD 2 6 ALA H 0.000 . 4.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
1162 2 5 LYS QG 2 6 ALA H 0.000 . 6.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
1163 2 5 LYS H 2 6 ALA H 0.000 . 5.000 4.153 4.153 4.153 . 0 0 "[ ]" 1
1164 2 5 LYS H 2 78 LEU QB 0.000 . 6.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
1165 2 5 LYS H 2 78 LEU MD1 0.000 . 6.500 2.031 2.031 2.031 . 0 0 "[ ]" 1
1166 2 5 LYS H 2 78 LEU HG 0.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
1167 2 5 LYS H 2 79 GLY H 0.000 . 5.000 1.815 1.815 1.815 . 0 0 "[ ]" 1
1168 2 6 ALA HA 2 7 VAL H 0.000 . 2.900 2.229 2.229 2.229 . 0 0 "[ ]" 1
1169 2 6 ALA HA 2 77 TYR H 0.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
1170 2 6 ALA HA 2 79 GLY H 0.000 . 5.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
1171 2 6 ALA MB 2 7 VAL H 0.000 . 4.400 2.695 2.695 2.695 . 0 0 "[ ]" 1
1172 2 6 ALA MB 2 8 ILE H 0.000 . 6.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
1173 2 6 ALA MB 2 77 TYR H 0.000 . 6.500 5.277 5.277 5.277 . 0 0 "[ ]" 1
1174 2 6 ALA H 2 7 VAL H 0.000 . 5.000 4.606 4.606 4.606 . 0 0 "[ ]" 1
1175 2 6 ALA H 2 22 VAL MG1 0.000 . 6.500 5.088 5.088 5.088 . 0 0 "[ ]" 1
1176 2 6 ALA H 2 22 VAL MG2 0.000 . 6.500 6.503 6.503 6.503 0.003 1 0 "[ ]" 1
1177 2 6 ALA H 2 78 LEU MD1 0.000 . 5.000 2.838 2.838 2.838 . 0 0 "[ ]" 1
1178 2 7 VAL HA 2 8 ILE H 0.000 . 2.900 2.463 2.463 2.463 . 0 0 "[ ]" 1
1179 2 7 VAL HA 2 77 TYR H 0.000 . 5.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
1180 2 7 VAL H 2 7 VAL HB 0.000 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
1181 2 7 VAL HB 2 77 TYR H 0.000 . 5.000 3.187 3.187 3.187 . 0 0 "[ ]" 1
1182 2 7 VAL MG1 2 8 ILE H 0.000 . 4.400 3.818 3.818 3.818 . 0 0 "[ ]" 1
1183 2 7 VAL MG1 2 77 TYR H 0.000 . 6.500 3.804 3.804 3.804 . 0 0 "[ ]" 1
1184 2 7 VAL H 2 7 VAL MG2 0.000 . 4.400 3.084 3.084 3.084 . 0 0 "[ ]" 1
1185 2 7 VAL MG2 2 77 TYR H 0.000 . 6.500 4.572 4.572 4.572 . 0 0 "[ ]" 1
1186 2 7 VAL H 2 8 ILE HA 0.000 . 5.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
1187 2 7 VAL H 2 8 ILE H 0.000 . 5.000 2.907 2.907 2.907 . 0 0 "[ ]" 1
1188 2 7 VAL H 2 76 PHE QD 0.000 . 7.000 3.169 3.169 3.169 . 0 0 "[ ]" 1
1189 2 7 VAL H 2 76 PHE QE 0.000 . 7.000 5.310 5.310 5.310 . 0 0 "[ ]" 1
1190 2 7 VAL H 2 77 TYR QB 0.000 . 6.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
1191 2 7 VAL H 2 77 TYR H 0.000 . 5.000 3.249 3.249 3.249 . 0 0 "[ ]" 1
1192 2 7 VAL H 2 78 LEU HA 0.000 . 5.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
1193 2 7 VAL H 2 78 LEU QB 0.000 . 6.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
1194 2 7 VAL H 2 78 LEU MD1 0.000 . 6.500 4.040 4.040 4.040 . 0 0 "[ ]" 1
1195 2 7 VAL H 2 78 LEU H 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1196 2 8 ILE HA 2 9 LYS H 0.000 . 3.500 2.105 2.105 2.105 . 0 0 "[ ]" 1
1197 2 8 ILE HA 2 10 ASN H 0.000 . 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
1198 2 8 ILE HA 2 77 TYR H 0.000 . 5.000 3.194 3.194 3.194 . 0 0 "[ ]" 1
1199 2 8 ILE H 2 8 ILE HB 0.000 . 2.900 2.667 2.667 2.667 . 0 0 "[ ]" 1
1200 2 8 ILE MD 2 9 LYS H 0.000 . 6.500 5.065 5.065 5.065 . 0 0 "[ ]" 1
1201 2 8 ILE MD 2 10 ASN H 0.000 . 6.500 5.231 5.231 5.231 . 0 0 "[ ]" 1
1202 2 8 ILE MD 2 77 TYR H 0.000 . 6.500 6.255 6.255 6.255 . 0 0 "[ ]" 1
1203 2 8 ILE H 2 8 ILE MG 0.000 . 4.400 3.774 3.774 3.774 . 0 0 "[ ]" 1
1204 2 8 ILE MG 2 9 LYS H 0.000 . 6.500 2.700 2.700 2.700 . 0 0 "[ ]" 1
1205 2 8 ILE MG 2 10 ASN HD21 0.000 . 6.500 6.006 6.006 6.006 . 0 0 "[ ]" 1
1206 2 8 ILE MG 2 10 ASN HD22 0.000 . 6.500 6.519 6.519 6.519 0.019 1 0 "[ ]" 1
1207 2 8 ILE MG 2 10 ASN H 0.000 . 5.000 2.481 2.481 2.481 . 0 0 "[ ]" 1
1208 2 8 ILE MG 2 11 ALA H 0.000 . 6.500 3.692 3.692 3.692 . 0 0 "[ ]" 1
1209 2 8 ILE MG 2 75 TYR H 0.000 . 6.500 3.415 3.415 3.415 . 0 0 "[ ]" 1
1210 2 8 ILE H 2 9 LYS H 0.000 . 5.000 4.494 4.494 4.494 . 0 0 "[ ]" 1
1211 2 8 ILE H 2 76 PHE QB 0.000 . 6.000 3.071 3.071 3.071 . 0 0 "[ ]" 1
1212 2 8 ILE H 2 77 TYR H 0.000 . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
1213 2 9 LYS HA 2 10 ASN H 0.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
1214 2 9 LYS QB 2 10 ASN H 0.000 . 4.500 2.550 2.550 2.550 . 0 0 "[ ]" 1
1215 2 9 LYS QB 2 75 TYR H 0.000 . 6.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
1216 2 9 LYS QB 2 76 PHE H 0.000 . 6.000 4.434 4.434 4.434 . 0 0 "[ ]" 1
1217 2 9 LYS H 2 9 LYS QD 0.000 . 6.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
1218 2 9 LYS QD 2 10 ASN H 0.000 . 6.000 4.649 4.649 4.649 . 0 0 "[ ]" 1
1219 2 9 LYS QE 2 77 TYR H 0.000 . 4.500 4.504 4.504 4.504 0.004 1 0 "[ ]" 1
1220 2 9 LYS QG 2 10 ASN H 0.000 . 6.000 3.620 3.620 3.620 . 0 0 "[ ]" 1
1221 2 9 LYS QG 2 77 TYR H 0.000 . 6.000 5.698 5.698 5.698 . 0 0 "[ ]" 1
1222 2 9 LYS H 2 10 ASN H 0.000 . 2.900 2.244 2.244 2.244 . 0 0 "[ ]" 1
1223 2 9 LYS H 2 75 TYR QD 0.000 . 7.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
1224 2 9 LYS H 2 75 TYR QE 0.000 . 7.000 5.972 5.972 5.972 . 0 0 "[ ]" 1
1225 2 9 LYS H 2 76 PHE HA 0.000 . 5.000 1.889 1.889 1.889 . 0 0 "[ ]" 1
1226 2 9 LYS H 2 76 PHE QB 0.000 . 6.000 3.082 3.082 3.082 . 0 0 "[ ]" 1
1227 2 9 LYS H 2 76 PHE QD 0.000 . 7.000 4.793 4.793 4.793 . 0 0 "[ ]" 1
1228 2 9 LYS H 2 77 TYR QD 0.000 . 7.000 6.636 6.636 6.636 . 0 0 "[ ]" 1
1229 2 9 LYS H 2 77 TYR H 0.000 . 5.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
1230 2 10 ASN HA 2 10 ASN HD22 0.000 . 5.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
1231 2 10 ASN HA 2 11 ALA H 0.000 . 2.900 2.253 2.253 2.253 . 0 0 "[ ]" 1
1232 2 10 ASN QB 2 11 ALA H 0.000 . 6.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
1233 2 10 ASN QB 2 75 TYR H 0.000 . 6.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
1234 2 10 ASN H 2 10 ASN HD21 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1235 2 10 ASN HD21 2 11 ALA H 0.000 . 5.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
1236 2 10 ASN HD22 2 11 ALA H 0.000 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
1237 2 10 ASN H 2 11 ALA MB 0.000 . 6.500 3.919 3.919 3.919 . 0 0 "[ ]" 1
1238 2 10 ASN H 2 11 ALA H 0.000 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
1239 2 10 ASN H 2 73 PHE QE 0.000 . 7.000 5.827 5.827 5.827 . 0 0 "[ ]" 1
1240 2 10 ASN H 2 74 ILE HA 0.000 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1
1241 2 10 ASN H 2 75 TYR HA 0.000 . 5.000 4.876 4.876 4.876 . 0 0 "[ ]" 1
1242 2 10 ASN H 2 75 TYR QB 0.000 . 4.500 2.968 2.968 2.968 . 0 0 "[ ]" 1
1243 2 10 ASN H 2 75 TYR QD 0.000 . 7.000 4.725 4.725 4.725 . 0 0 "[ ]" 1
1244 2 10 ASN H 2 75 TYR H 0.000 . 3.500 3.287 3.287 3.287 . 0 0 "[ ]" 1
1245 2 10 ASN H 2 76 PHE HA 0.000 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
1246 2 10 ASN H 2 76 PHE QD 0.000 . 7.000 5.497 5.497 5.497 . 0 0 "[ ]" 1
1247 2 10 ASN H 2 76 PHE H 0.000 . 5.000 5.083 5.083 5.083 0.083 1 0 "[ ]" 1
1248 2 11 ALA H 2 11 ALA HA 0.000 . 2.900 2.893 2.893 2.893 . 0 0 "[ ]" 1
1249 2 11 ALA HA 2 12 ASP H 0.000 . 2.900 2.162 2.162 2.162 . 0 0 "[ ]" 1
1250 2 11 ALA HA 2 13 MET H 0.000 . 5.000 4.984 4.984 4.984 . 0 0 "[ ]" 1
1251 2 11 ALA HA 2 74 ILE H 0.000 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
1252 2 11 ALA HA 2 75 TYR H 0.000 . 5.000 3.119 3.119 3.119 . 0 0 "[ ]" 1
1253 2 11 ALA MB 2 12 ASP H 0.000 . 5.000 2.907 2.907 2.907 . 0 0 "[ ]" 1
1254 2 11 ALA MB 2 13 MET H 0.000 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
1255 2 11 ALA MB 2 18 GLN HE21 0.000 . 6.500 4.370 4.370 4.370 . 0 0 "[ ]" 1
1256 2 11 ALA MB 2 18 GLN HE22 0.000 . 6.500 3.678 3.678 3.678 . 0 0 "[ ]" 1
1257 2 11 ALA MB 2 75 TYR H 0.000 . 6.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
1258 2 11 ALA H 2 12 ASP H 0.000 . 5.000 4.250 4.250 4.250 . 0 0 "[ ]" 1
1259 2 11 ALA H 2 74 ILE HA 0.000 . 5.000 4.527 4.527 4.527 . 0 0 "[ ]" 1
1260 2 12 ASP H 2 12 ASP HA 0.000 . 2.900 2.928 2.928 2.928 0.028 1 0 "[ ]" 1
1261 2 12 ASP HA 2 13 MET H 0.000 . 2.900 2.353 2.353 2.353 . 0 0 "[ ]" 1
1262 2 12 ASP HA 2 73 PHE H 0.000 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 1
1263 2 12 ASP QB 2 13 MET H 0.000 . 6.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
1264 2 12 ASP H 2 13 MET QB 0.000 . 6.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
1265 2 12 ASP H 2 13 MET ME 0.000 . 6.500 5.277 5.277 5.277 . 0 0 "[ ]" 1
1266 2 12 ASP H 2 13 MET H 0.000 . 3.500 3.469 3.469 3.469 . 0 0 "[ ]" 1
1267 2 12 ASP H 2 73 PHE HA 0.000 . 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
1268 2 12 ASP H 2 73 PHE QB 0.000 . 6.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
1269 2 12 ASP H 2 73 PHE QD 0.000 . 5.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
1270 2 12 ASP H 2 73 PHE H 0.000 . 5.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
1271 2 12 ASP H 2 74 ILE HA 0.000 . 5.000 3.057 3.057 3.057 . 0 0 "[ ]" 1
1272 2 12 ASP H 2 74 ILE HB 0.000 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
1273 2 12 ASP H 2 74 ILE MD 0.000 . 6.500 5.308 5.308 5.308 . 0 0 "[ ]" 1
1274 2 12 ASP H 2 74 ILE H 0.000 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1
1275 2 12 ASP H 2 75 TYR H 0.000 . 5.000 5.023 5.023 5.023 0.023 1 0 "[ ]" 1
1276 2 13 MET H 2 13 MET HA 0.000 . 2.900 2.814 2.814 2.814 . 0 0 "[ ]" 1
1277 2 13 MET HA 2 14 SER H 0.000 . 2.900 2.421 2.421 2.421 . 0 0 "[ ]" 1
1278 2 13 MET HA 2 71 LYS H 0.000 . 5.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
1279 2 13 MET HA 2 72 HIS H 0.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 1
1280 2 13 MET HA 2 73 PHE H 0.000 . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
1281 2 13 MET QB 2 14 SER H 0.000 . 6.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
1282 2 13 MET QB 2 18 GLN H 0.000 . 6.000 4.325 4.325 4.325 . 0 0 "[ ]" 1
1283 2 13 MET QB 2 73 PHE H 0.000 . 4.500 1.889 1.889 1.889 . 0 0 "[ ]" 1
1284 2 13 MET ME 2 17 MET H 0.000 . 5.000 4.786 4.786 4.786 . 0 0 "[ ]" 1
1285 2 13 MET ME 2 73 PHE H 0.000 . 5.000 3.026 3.026 3.026 . 0 0 "[ ]" 1
1286 2 13 MET ME 2 74 ILE H 0.000 . 5.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
1287 2 13 MET QG 2 14 SER H 0.000 . 6.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
1288 2 13 MET QG 2 17 MET H 0.000 . 6.000 4.692 4.692 4.692 . 0 0 "[ ]" 1
1289 2 13 MET QG 2 18 GLN H 0.000 . 6.000 2.846 2.846 2.846 . 0 0 "[ ]" 1
1290 2 13 MET QG 2 73 PHE H 0.000 . 4.500 3.100 3.100 3.100 . 0 0 "[ ]" 1
1291 2 13 MET QG 2 74 ILE H 0.000 . 6.000 5.010 5.010 5.010 . 0 0 "[ ]" 1
1292 2 13 MET H 2 14 SER H 0.000 . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
1293 2 13 MET H 2 18 GLN HE21 0.000 . 5.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
1294 2 13 MET H 2 18 GLN HE22 0.000 . 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
1295 2 13 MET H 2 18 GLN QG 0.000 . 6.000 5.007 5.007 5.007 . 0 0 "[ ]" 1
1296 2 13 MET H 2 71 LYS HA 0.000 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
1297 2 13 MET H 2 71 LYS QE 0.000 . 6.000 6.012 6.012 6.012 0.012 1 0 "[ ]" 1
1298 2 13 MET H 2 71 LYS QG 0.000 . 6.000 5.638 5.638 5.638 . 0 0 "[ ]" 1
1299 2 13 MET H 2 73 PHE QD 0.000 . 7.000 6.261 6.261 6.261 . 0 0 "[ ]" 1
1300 2 13 MET H 2 73 PHE H 0.000 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
1301 2 14 SER H 2 14 SER HA 0.000 . 2.900 2.720 2.720 2.720 . 0 0 "[ ]" 1
1302 2 14 SER HA 2 15 GLU H 0.000 . 3.500 2.173 2.173 2.173 . 0 0 "[ ]" 1
1303 2 14 SER HA 2 16 GLU H 0.000 . 5.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
1304 2 14 SER HA 2 17 MET H 0.000 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
1305 2 14 SER QB 2 15 GLU H 0.000 . 6.000 3.652 3.652 3.652 . 0 0 "[ ]" 1
1306 2 14 SER QB 2 16 GLU H 0.000 . 6.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
1307 2 14 SER QB 2 17 MET H 0.000 . 6.000 2.605 2.605 2.605 . 0 0 "[ ]" 1
1308 2 14 SER H 2 15 GLU H 0.000 . 5.000 4.588 4.588 4.588 . 0 0 "[ ]" 1
1309 2 14 SER H 2 17 MET QB 0.000 . 6.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
1310 2 14 SER H 2 17 MET ME 0.000 . 6.500 3.528 3.528 3.528 . 0 0 "[ ]" 1
1311 2 14 SER H 2 17 MET H 0.000 . 5.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
1312 2 14 SER H 2 71 LYS HA 0.000 . 5.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
1313 2 14 SER H 2 71 LYS QB 0.000 . 6.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
1314 2 14 SER H 2 71 LYS QG 0.000 . 6.000 5.239 5.239 5.239 . 0 0 "[ ]" 1
1315 2 15 GLU HA 2 16 GLU H 0.000 . 5.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
1316 2 15 GLU HA 2 17 MET H 0.000 . 5.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
1317 2 15 GLU HA 2 18 GLN HE21 0.000 . 5.000 1.928 1.928 1.928 . 0 0 "[ ]" 1
1318 2 15 GLU HA 2 18 GLN HE22 0.000 . 5.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
1319 2 15 GLU HA 2 18 GLN H 0.000 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
1320 2 15 GLU HA 2 19 GLN H 0.000 . 5.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
1321 2 15 GLU QB 2 16 GLU H 0.000 . 3.900 3.334 3.334 3.334 . 0 0 "[ ]" 1
1322 2 15 GLU QG 2 16 GLU H 0.000 . 4.500 2.056 2.056 2.056 . 0 0 "[ ]" 1
1323 2 15 GLU H 2 16 GLU H 0.000 . 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
1324 2 15 GLU H 2 17 MET H 0.000 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
1325 2 16 GLU H 2 16 GLU HA 0.000 . 2.900 2.810 2.810 2.810 . 0 0 "[ ]" 1
1326 2 16 GLU HA 2 17 MET H 0.000 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
1327 2 16 GLU HA 2 18 GLN H 0.000 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
1328 2 16 GLU HA 2 19 GLN H 0.000 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
1329 2 16 GLU HA 2 20 ASP H 0.000 . 5.000 3.884 3.884 3.884 . 0 0 "[ ]" 1
1330 2 16 GLU H 2 16 GLU QB 0.000 . 3.500 2.462 2.462 2.462 . 0 0 "[ ]" 1
1331 2 16 GLU QB 2 17 MET H 0.000 . 3.900 2.590 2.590 2.590 . 0 0 "[ ]" 1
1332 2 16 GLU H 2 16 GLU QG 0.000 . 4.500 2.164 2.164 2.164 . 0 0 "[ ]" 1
1333 2 16 GLU QG 2 17 MET H 0.000 . 6.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
1334 2 16 GLU H 2 17 MET H 0.000 . 3.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
1335 2 16 GLU H 2 18 GLN H 0.000 . 5.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
1336 2 16 GLU H 2 19 GLN H 0.000 . 5.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
1337 2 17 MET H 2 17 MET HA 0.000 . 2.900 2.824 2.824 2.824 . 0 0 "[ ]" 1
1338 2 17 MET HA 2 18 GLN H 0.000 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
1339 2 17 MET HA 2 19 GLN H 0.000 . 5.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
1340 2 17 MET HA 2 20 ASP H 0.000 . 3.500 3.429 3.429 3.429 . 0 0 "[ ]" 1
1341 2 17 MET HA 2 21 SER H 0.000 . 5.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
1342 2 17 MET H 2 17 MET QB 0.000 . 3.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
1343 2 17 MET QB 2 18 GLN H 0.000 . 3.900 2.426 2.426 2.426 . 0 0 "[ ]" 1
1344 2 17 MET QB 2 19 GLN H 0.000 . 6.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
1345 2 17 MET H 2 17 MET ME 0.000 . 6.500 3.869 3.869 3.869 . 0 0 "[ ]" 1
1346 2 17 MET ME 2 54 TRP HE1 0.000 . 6.500 6.042 6.042 6.042 . 0 0 "[ ]" 1
1347 2 17 MET QG 2 18 GLN H 0.000 . 3.900 3.858 3.858 3.858 . 0 0 "[ ]" 1
1348 2 17 MET H 2 18 GLN H 0.000 . 2.900 2.704 2.704 2.704 . 0 0 "[ ]" 1
1349 2 17 MET H 2 19 GLN H 0.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
1350 2 17 MET H 2 20 ASP H 0.000 . 5.000 4.448 4.448 4.448 . 0 0 "[ ]" 1
1351 2 18 GLN H 2 18 GLN HA 0.000 . 2.900 2.835 2.835 2.835 . 0 0 "[ ]" 1
1352 2 18 GLN HA 2 19 GLN H 0.000 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
1353 2 18 GLN HA 2 20 ASP H 0.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
1354 2 18 GLN HA 2 21 SER H 0.000 . 3.500 3.233 3.233 3.233 . 0 0 "[ ]" 1
1355 2 18 GLN HA 2 22 VAL H 0.000 . 5.000 4.473 4.473 4.473 . 0 0 "[ ]" 1
1356 2 18 GLN H 2 18 GLN QB 0.000 . 3.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
1357 2 18 GLN QB 2 19 GLN H 0.000 . 3.900 3.438 3.438 3.438 . 0 0 "[ ]" 1
1358 2 18 GLN H 2 18 GLN HE21 0.000 . 5.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
1359 2 18 GLN H 2 18 GLN HE22 0.000 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 1
1360 2 18 GLN H 2 18 GLN QG 0.000 . 3.900 1.900 1.900 1.900 . 0 0 "[ ]" 1
1361 2 18 GLN QG 2 19 GLN H 0.000 . 3.900 2.223 2.223 2.223 . 0 0 "[ ]" 1
1362 2 18 GLN H 2 19 GLN H 0.000 . 2.900 2.586 2.586 2.586 . 0 0 "[ ]" 1
1363 2 18 GLN H 2 20 ASP H 0.000 . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
1364 2 18 GLN H 2 21 SER QB 0.000 . 6.000 5.399 5.399 5.399 . 0 0 "[ ]" 1
1365 2 18 GLN H 2 74 ILE MD 0.000 . 6.500 4.161 4.161 4.161 . 0 0 "[ ]" 1
1366 2 19 GLN H 2 19 GLN HA 0.000 . 2.900 2.836 2.836 2.836 . 0 0 "[ ]" 1
1367 2 19 GLN HA 2 20 ASP H 0.000 . 3.500 3.497 3.497 3.497 . 0 0 "[ ]" 1
1368 2 19 GLN HA 2 21 SER H 0.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
1369 2 19 GLN HA 2 22 VAL H 0.000 . 3.500 3.152 3.152 3.152 . 0 0 "[ ]" 1
1370 2 19 GLN HA 2 23 GLU H 0.000 . 5.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
1371 2 19 GLN H 2 19 GLN QB 0.000 . 3.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
1372 2 19 GLN QB 2 20 ASP H 0.000 . 3.900 2.657 2.657 2.657 . 0 0 "[ ]" 1
1373 2 19 GLN QB 2 21 SER H 0.000 . 6.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
1374 2 19 GLN H 2 19 GLN QG 0.000 . 3.900 3.953 3.953 3.953 0.053 1 0 "[ ]" 1
1375 2 19 GLN QG 2 20 ASP H 0.000 . 6.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
1376 2 19 GLN H 2 20 ASP HA 0.000 . 5.000 5.086 5.086 5.086 0.086 1 0 "[ ]" 1
1377 2 19 GLN H 2 20 ASP QB 0.000 . 6.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
1378 2 19 GLN H 2 20 ASP H 0.000 . 2.900 2.462 2.462 2.462 . 0 0 "[ ]" 1
1379 2 19 GLN H 2 21 SER QB 0.000 . 6.000 5.030 5.030 5.030 . 0 0 "[ ]" 1
1380 2 19 GLN H 2 21 SER H 0.000 . 5.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
1381 2 19 GLN H 2 74 ILE MD 0.000 . 6.500 4.256 4.256 4.256 . 0 0 "[ ]" 1
1382 2 20 ASP H 2 20 ASP HA 0.000 . 2.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
1383 2 20 ASP HA 2 21 SER H 0.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
1384 2 20 ASP HA 2 22 VAL H 0.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
1385 2 20 ASP HA 2 23 GLU H 0.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
1386 2 20 ASP HA 2 24 CYS H 0.000 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
1387 2 20 ASP H 2 20 ASP QB 0.000 . 3.500 2.260 2.260 2.260 . 0 0 "[ ]" 1
1388 2 20 ASP QB 2 21 SER H 0.000 . 4.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
1389 2 20 ASP H 2 21 SER QB 0.000 . 6.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
1390 2 20 ASP H 2 21 SER H 0.000 . 2.900 2.608 2.608 2.608 . 0 0 "[ ]" 1
1391 2 20 ASP H 2 22 VAL H 0.000 . 5.000 4.070 4.070 4.070 . 0 0 "[ ]" 1
1392 2 20 ASP H 2 23 GLU H 0.000 . 5.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
1393 2 20 ASP H 2 46 PHE QE 0.000 . 7.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
1394 2 20 ASP H 2 46 PHE HZ 0.000 . 5.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
1395 2 20 ASP H 2 50 TYR QE 0.000 . 7.000 5.567 5.567 5.567 . 0 0 "[ ]" 1
1396 2 21 SER H 2 21 SER HA 0.000 . 2.900 2.822 2.822 2.822 . 0 0 "[ ]" 1
1397 2 21 SER HA 2 22 VAL H 0.000 . 5.000 3.528 3.528 3.528 . 0 0 "[ ]" 1
1398 2 21 SER HA 2 23 GLU H 0.000 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
1399 2 21 SER HA 2 24 CYS H 0.000 . 3.500 3.261 3.261 3.261 . 0 0 "[ ]" 1
1400 2 21 SER HA 2 25 ALA H 0.000 . 5.000 3.856 3.856 3.856 . 0 0 "[ ]" 1
1401 2 21 SER H 2 21 SER QB 0.000 . 3.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
1402 2 21 SER QB 2 22 VAL H 0.000 . 3.900 2.537 2.537 2.537 . 0 0 "[ ]" 1
1403 2 21 SER H 2 22 VAL HB 0.000 . 5.000 4.777 4.777 4.777 . 0 0 "[ ]" 1
1404 2 21 SER H 2 22 VAL MG2 0.000 . 6.500 4.120 4.120 4.120 . 0 0 "[ ]" 1
1405 2 21 SER H 2 22 VAL H 0.000 . 2.900 2.618 2.618 2.618 . 0 0 "[ ]" 1
1406 2 21 SER H 2 23 GLU H 0.000 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
1407 2 21 SER H 2 24 CYS H 0.000 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
1408 2 21 SER H 2 46 PHE QE 0.000 . 7.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
1409 2 21 SER H 2 46 PHE HZ 0.000 . 3.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
1410 2 21 SER H 2 74 ILE MD 0.000 . 6.500 3.817 3.817 3.817 . 0 0 "[ ]" 1
1411 2 21 SER H 2 74 ILE MG 0.000 . 6.500 4.464 4.464 4.464 . 0 0 "[ ]" 1
1412 2 22 VAL H 2 22 VAL HA 0.000 . 2.900 2.785 2.785 2.785 . 0 0 "[ ]" 1
1413 2 22 VAL HA 2 23 GLU H 0.000 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
1414 2 22 VAL HA 2 24 CYS H 0.000 . 5.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
1415 2 22 VAL HA 2 25 ALA H 0.000 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
1416 2 22 VAL HA 2 26 THR H 0.000 . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
1417 2 22 VAL H 2 22 VAL HB 0.000 . 2.900 2.513 2.513 2.513 . 0 0 "[ ]" 1
1418 2 22 VAL HB 2 23 GLU H 0.000 . 3.500 2.550 2.550 2.550 . 0 0 "[ ]" 1
1419 2 22 VAL HB 2 24 CYS H 0.000 . 5.000 4.736 4.736 4.736 . 0 0 "[ ]" 1
1420 2 22 VAL MG1 2 23 GLU H 0.000 . 5.000 3.307 3.307 3.307 . 0 0 "[ ]" 1
1421 2 22 VAL MG1 2 24 CYS H 0.000 . 6.500 4.899 4.899 4.899 . 0 0 "[ ]" 1
1422 2 22 VAL MG1 2 26 THR H 0.000 . 6.500 4.149 4.149 4.149 . 0 0 "[ ]" 1
1423 2 22 VAL H 2 22 VAL MG2 0.000 . 4.400 2.285 2.285 2.285 . 0 0 "[ ]" 1
1424 2 22 VAL MG2 2 23 GLU H 0.000 . 5.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
1425 2 22 VAL MG2 2 24 CYS H 0.000 . 6.500 5.220 5.220 5.220 . 0 0 "[ ]" 1
1426 2 22 VAL H 2 23 GLU QB 0.000 . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
1427 2 22 VAL H 2 23 GLU H 0.000 . 2.900 2.766 2.766 2.766 . 0 0 "[ ]" 1
1428 2 22 VAL H 2 24 CYS H 0.000 . 5.000 3.861 3.861 3.861 . 0 0 "[ ]" 1
1429 2 22 VAL H 2 25 ALA H 0.000 . 5.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
1430 2 22 VAL H 2 46 PHE HZ 0.000 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
1431 2 22 VAL H 2 74 ILE MD 0.000 . 6.500 3.567 3.567 3.567 . 0 0 "[ ]" 1
1432 2 22 VAL H 2 74 ILE MG 0.000 . 6.500 5.066 5.066 5.066 . 0 0 "[ ]" 1
1433 2 22 VAL H 2 76 PHE HZ 0.000 . 5.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
1434 2 23 GLU H 2 23 GLU HA 0.000 . 2.900 2.875 2.875 2.875 . 0 0 "[ ]" 1
1435 2 23 GLU HA 2 24 CYS H 0.000 . 3.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
1436 2 23 GLU HA 2 25 ALA H 0.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
1437 2 23 GLU HA 2 26 THR H 0.000 . 3.500 3.234 3.234 3.234 . 0 0 "[ ]" 1
1438 2 23 GLU HA 2 27 GLN H 0.000 . 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
1439 2 23 GLU H 2 23 GLU QB 0.000 . 3.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
1440 2 23 GLU QB 2 24 CYS H 0.000 . 3.900 2.671 2.671 2.671 . 0 0 "[ ]" 1
1441 2 23 GLU H 2 23 GLU QG 0.000 . 4.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
1442 2 23 GLU QG 2 24 CYS H 0.000 . 6.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
1443 2 23 GLU H 2 24 CYS HA 0.000 . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
1444 2 23 GLU H 2 24 CYS QB 0.000 . 6.000 4.128 4.128 4.128 . 0 0 "[ ]" 1
1445 2 23 GLU H 2 24 CYS H 0.000 . 2.900 2.365 2.365 2.365 . 0 0 "[ ]" 1
1446 2 23 GLU H 2 25 ALA H 0.000 . 5.000 3.844 3.844 3.844 . 0 0 "[ ]" 1
1447 2 23 GLU H 2 76 PHE HZ 0.000 . 5.000 5.063 5.063 5.063 0.063 1 0 "[ ]" 1
1448 2 24 CYS H 2 24 CYS HA 0.000 . 2.900 2.817 2.817 2.817 . 0 0 "[ ]" 1
1449 2 24 CYS HA 2 25 ALA H 0.000 . 5.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
1450 2 24 CYS HA 2 26 THR H 0.000 . 5.000 4.718 4.718 4.718 . 0 0 "[ ]" 1
1451 2 24 CYS HA 2 27 GLN H 0.000 . 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
1452 2 24 CYS HA 2 28 ALA H 0.000 . 5.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
1453 2 24 CYS H 2 24 CYS QB 0.000 . 3.500 2.248 2.248 2.248 . 0 0 "[ ]" 1
1454 2 24 CYS QB 2 25 ALA H 0.000 . 3.900 2.746 2.746 2.746 . 0 0 "[ ]" 1
1455 2 24 CYS H 2 25 ALA MB 0.000 . 6.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
1456 2 24 CYS H 2 25 ALA H 0.000 . 2.900 2.558 2.558 2.558 . 0 0 "[ ]" 1
1457 2 24 CYS H 2 26 THR H 0.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
1458 2 24 CYS H 2 27 GLN H 0.000 . 5.000 4.769 4.769 4.769 . 0 0 "[ ]" 1
1459 2 24 CYS H 2 46 PHE QE 0.000 . 7.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
1460 2 24 CYS H 2 46 PHE HZ 0.000 . 5.000 4.715 4.715 4.715 . 0 0 "[ ]" 1
1461 2 24 CYS H 2 76 PHE HZ 0.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
1462 2 25 ALA H 2 25 ALA HA 0.000 . 2.900 2.875 2.875 2.875 . 0 0 "[ ]" 1
1463 2 25 ALA HA 2 26 THR H 0.000 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
1464 2 25 ALA HA 2 27 GLN H 0.000 . 5.000 4.673 4.673 4.673 . 0 0 "[ ]" 1
1465 2 25 ALA HA 2 28 ALA H 0.000 . 3.500 3.381 3.381 3.381 . 0 0 "[ ]" 1
1466 2 25 ALA HA 2 29 LEU H 0.000 . 5.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
1467 2 25 ALA MB 2 26 THR H 0.000 . 5.000 2.442 2.442 2.442 . 0 0 "[ ]" 1
1468 2 25 ALA H 2 26 THR HA 0.000 . 5.000 5.065 5.065 5.065 0.065 1 0 "[ ]" 1
1469 2 25 ALA H 2 26 THR HB 0.000 . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
1470 2 25 ALA H 2 26 THR H 0.000 . 2.900 2.440 2.440 2.440 . 0 0 "[ ]" 1
1471 2 25 ALA H 2 27 GLN H 0.000 . 5.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
1472 2 25 ALA H 2 42 ILE MD 0.000 . 5.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
1473 2 25 ALA H 2 42 ILE MG 0.000 . 6.500 4.401 4.401 4.401 . 0 0 "[ ]" 1
1474 2 25 ALA H 2 46 PHE QE 0.000 . 7.000 5.098 5.098 5.098 . 0 0 "[ ]" 1
1475 2 25 ALA H 2 76 PHE HZ 0.000 . 5.000 3.286 3.286 3.286 . 0 0 "[ ]" 1
1476 2 25 ALA H 2 78 LEU MD2 0.000 . 6.500 4.912 4.912 4.912 . 0 0 "[ ]" 1
1477 2 25 ALA H 2 83 ILE MD 0.000 . 6.500 5.963 5.963 5.963 . 0 0 "[ ]" 1
1478 2 26 THR HA 2 27 GLN H 0.000 . 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 1
1479 2 26 THR HA 2 28 ALA H 0.000 . 5.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
1480 2 26 THR HA 2 29 LEU H 0.000 . 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
1481 2 26 THR HA 2 30 GLU H 0.000 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
1482 2 26 THR H 2 26 THR HB 0.000 . 2.900 2.540 2.540 2.540 . 0 0 "[ ]" 1
1483 2 26 THR HB 2 27 GLN H 0.000 . 2.900 2.331 2.331 2.331 . 0 0 "[ ]" 1
1484 2 26 THR HB 2 28 ALA H 0.000 . 5.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
1485 2 26 THR MG 2 27 GLN H 0.000 . 5.000 3.294 3.294 3.294 . 0 0 "[ ]" 1
1486 2 26 THR H 2 27 GLN QB 0.000 . 6.000 4.787 4.787 4.787 . 0 0 "[ ]" 1
1487 2 26 THR H 2 27 GLN QG 0.000 . 6.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
1488 2 26 THR H 2 27 GLN H 0.000 . 2.900 2.811 2.811 2.811 . 0 0 "[ ]" 1
1489 2 26 THR H 2 28 ALA H 0.000 . 5.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
1490 2 26 THR H 2 29 LEU H 0.000 . 5.000 4.741 4.741 4.741 . 0 0 "[ ]" 1
1491 2 26 THR H 2 76 PHE QE 0.000 . 7.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
1492 2 26 THR H 2 78 LEU MD2 0.000 . 6.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
1493 2 27 GLN H 2 27 GLN HA 0.000 . 2.900 2.829 2.829 2.829 . 0 0 "[ ]" 1
1494 2 27 GLN HA 2 28 ALA H 0.000 . 3.500 3.511 3.511 3.511 0.011 1 0 "[ ]" 1
1495 2 27 GLN HA 2 29 LEU H 0.000 . 5.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
1496 2 27 GLN HA 2 30 GLU H 0.000 . 3.500 3.350 3.350 3.350 . 0 0 "[ ]" 1
1497 2 27 GLN HA 2 31 LYS H 0.000 . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
1498 2 27 GLN H 2 27 GLN QB 0.000 . 3.500 2.457 2.457 2.457 . 0 0 "[ ]" 1
1499 2 27 GLN QB 2 28 ALA H 0.000 . 3.900 2.632 2.632 2.632 . 0 0 "[ ]" 1
1500 2 27 GLN H 2 27 GLN QG 0.000 . 3.900 2.194 2.194 2.194 . 0 0 "[ ]" 1
1501 2 27 GLN QG 2 28 ALA H 0.000 . 6.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
1502 2 27 GLN H 2 28 ALA MB 0.000 . 6.500 4.213 4.213 4.213 . 0 0 "[ ]" 1
1503 2 27 GLN H 2 28 ALA H 0.000 . 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
1504 2 27 GLN H 2 29 LEU H 0.000 . 5.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
1505 2 27 GLN H 2 30 GLU H 0.000 . 5.000 4.829 4.829 4.829 . 0 0 "[ ]" 1
1506 2 28 ALA H 2 28 ALA HA 0.000 . 2.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
1507 2 28 ALA HA 2 29 LEU H 0.000 . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
1508 2 28 ALA HA 2 30 GLU H 0.000 . 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
1509 2 28 ALA HA 2 31 LYS H 0.000 . 5.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
1510 2 28 ALA HA 2 32 TYR H 0.000 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
1511 2 28 ALA MB 2 29 LEU H 0.000 . 5.000 2.639 2.639 2.639 . 0 0 "[ ]" 1
1512 2 28 ALA MB 2 32 TYR H 0.000 . 6.500 4.321 4.321 4.321 . 0 0 "[ ]" 1
1513 2 28 ALA MB 2 41 HIS H 0.000 . 6.500 4.676 4.676 4.676 . 0 0 "[ ]" 1
1514 2 28 ALA MB 2 42 ILE H 0.000 . 6.500 3.602 3.602 3.602 . 0 0 "[ ]" 1
1515 2 28 ALA H 2 29 LEU QB 0.000 . 6.000 4.762 4.762 4.762 . 0 0 "[ ]" 1
1516 2 28 ALA H 2 29 LEU HG 0.000 . 5.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
1517 2 28 ALA H 2 29 LEU H 0.000 . 2.900 2.725 2.725 2.725 . 0 0 "[ ]" 1
1518 2 28 ALA H 2 30 GLU H 0.000 . 5.000 4.130 4.130 4.130 . 0 0 "[ ]" 1
1519 2 28 ALA H 2 31 LYS H 0.000 . 5.000 4.847 4.847 4.847 . 0 0 "[ ]" 1
1520 2 28 ALA H 2 38 ILE MG 0.000 . 6.500 4.633 4.633 4.633 . 0 0 "[ ]" 1
1521 2 28 ALA H 2 41 HIS HD2 0.000 . 5.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
1522 2 28 ALA H 2 42 ILE MD 0.000 . 6.500 4.433 4.433 4.433 . 0 0 "[ ]" 1
1523 2 29 LEU H 2 29 LEU HA 0.000 . 2.900 2.847 2.847 2.847 . 0 0 "[ ]" 1
1524 2 29 LEU HA 2 30 GLU H 0.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
1525 2 29 LEU HA 2 31 LYS H 0.000 . 5.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
1526 2 29 LEU HA 2 32 TYR H 0.000 . 5.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
1527 2 29 LEU H 2 29 LEU QB 0.000 . 3.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
1528 2 29 LEU QB 2 30 GLU H 0.000 . 4.500 2.516 2.516 2.516 . 0 0 "[ ]" 1
1529 2 29 LEU H 2 29 LEU MD1 0.000 . 4.400 3.671 3.671 3.671 . 0 0 "[ ]" 1
1530 2 29 LEU MD1 2 30 GLU H 0.000 . 6.500 4.510 4.510 4.510 . 0 0 "[ ]" 1
1531 2 29 LEU MD1 2 81 VAL H 0.000 . 6.500 5.239 5.239 5.239 . 0 0 "[ ]" 1
1532 2 29 LEU H 2 29 LEU MD2 0.000 . 4.400 3.359 3.359 3.359 . 0 0 "[ ]" 1
1533 2 29 LEU H 2 29 LEU HG 0.000 . 3.500 2.362 2.362 2.362 . 0 0 "[ ]" 1
1534 2 29 LEU HG 2 30 GLU H 0.000 . 5.000 4.273 4.273 4.273 . 0 0 "[ ]" 1
1535 2 29 LEU H 2 30 GLU QB 0.000 . 6.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
1536 2 29 LEU H 2 30 GLU QG 0.000 . 6.000 6.082 6.082 6.082 0.082 1 0 "[ ]" 1
1537 2 29 LEU H 2 30 GLU H 0.000 . 2.900 2.496 2.496 2.496 . 0 0 "[ ]" 1
1538 2 29 LEU H 2 31 LYS H 0.000 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
1539 2 29 LEU H 2 38 ILE MD 0.000 . 6.500 4.748 4.748 4.748 . 0 0 "[ ]" 1
1540 2 29 LEU H 2 38 ILE MG 0.000 . 4.400 3.557 3.557 3.557 . 0 0 "[ ]" 1
1541 2 30 GLU H 2 30 GLU HA 0.000 . 2.900 2.785 2.785 2.785 . 0 0 "[ ]" 1
1542 2 30 GLU HA 2 31 LYS H 0.000 . 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
1543 2 30 GLU HA 2 32 TYR H 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
1544 2 30 GLU H 2 30 GLU QB 0.000 . 3.500 2.216 2.216 2.216 . 0 0 "[ ]" 1
1545 2 30 GLU QB 2 31 LYS H 0.000 . 3.900 2.659 2.659 2.659 . 0 0 "[ ]" 1
1546 2 30 GLU QB 2 32 TYR H 0.000 . 6.000 4.878 4.878 4.878 . 0 0 "[ ]" 1
1547 2 30 GLU H 2 30 GLU QG 0.000 . 3.900 3.930 3.930 3.930 0.030 1 0 "[ ]" 1
1548 2 30 GLU QG 2 31 LYS H 0.000 . 6.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
1549 2 30 GLU H 2 31 LYS QB 0.000 . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
1550 2 30 GLU H 2 31 LYS QG 0.000 . 6.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
1551 2 30 GLU H 2 31 LYS H 0.000 . 2.900 2.714 2.714 2.714 . 0 0 "[ ]" 1
1552 2 30 GLU H 2 32 TYR H 0.000 . 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 1
1553 2 31 LYS H 2 31 LYS HA 0.000 . 2.900 2.886 2.886 2.886 . 0 0 "[ ]" 1
1554 2 31 LYS HA 2 32 TYR H 0.000 . 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
1555 2 31 LYS H 2 31 LYS QB 0.000 . 3.500 2.450 2.450 2.450 . 0 0 "[ ]" 1
1556 2 31 LYS QB 2 32 TYR H 0.000 . 4.500 2.344 2.344 2.344 . 0 0 "[ ]" 1
1557 2 31 LYS H 2 31 LYS QD 0.000 . 4.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
1558 2 31 LYS QD 2 32 TYR H 0.000 . 6.000 4.458 4.458 4.458 . 0 0 "[ ]" 1
1559 2 31 LYS H 2 31 LYS QG 0.000 . 3.900 2.317 2.317 2.317 . 0 0 "[ ]" 1
1560 2 31 LYS QG 2 32 TYR H 0.000 . 4.500 3.912 3.912 3.912 . 0 0 "[ ]" 1
1561 2 31 LYS H 2 32 TYR HA 0.000 . 5.000 5.057 5.057 5.057 0.057 1 0 "[ ]" 1
1562 2 31 LYS H 2 32 TYR QD 0.000 . 4.900 4.906 4.906 4.906 0.006 1 0 "[ ]" 1
1563 2 31 LYS H 2 32 TYR H 0.000 . 2.900 2.457 2.457 2.457 . 0 0 "[ ]" 1
1564 2 32 TYR HA 2 33 ASN H 0.000 . 3.500 2.195 2.195 2.195 . 0 0 "[ ]" 1
1565 2 32 TYR HA 2 34 ILE H 0.000 . 5.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
1566 2 32 TYR QB 2 33 ASN H 0.000 . 6.000 3.017 3.017 3.017 . 0 0 "[ ]" 1
1567 2 32 TYR QB 2 34 ILE H 0.000 . 4.500 2.705 2.705 2.705 . 0 0 "[ ]" 1
1568 2 32 TYR QB 2 37 ASP H 0.000 . 6.000 3.871 3.871 3.871 . 0 0 "[ ]" 1
1569 2 32 TYR QB 2 38 ILE H 0.000 . 6.000 3.067 3.067 3.067 . 0 0 "[ ]" 1
1570 2 32 TYR H 2 32 TYR QD 0.000 . 4.900 3.218 3.218 3.218 . 0 0 "[ ]" 1
1571 2 32 TYR QD 2 33 ASN H 0.000 . 7.000 3.774 3.774 3.774 . 0 0 "[ ]" 1
1572 2 32 TYR QD 2 34 ILE H 0.000 . 7.000 4.742 4.742 4.742 . 0 0 "[ ]" 1
1573 2 32 TYR H 2 32 TYR QE 0.000 . 7.000 4.887 4.887 4.887 . 0 0 "[ ]" 1
1574 2 32 TYR QE 2 33 ASN H 0.000 . 7.000 5.999 5.999 5.999 . 0 0 "[ ]" 1
1575 2 32 TYR QE 2 41 HIS H 0.000 . 5.500 4.578 4.578 4.578 . 0 0 "[ ]" 1
1576 2 32 TYR H 2 33 ASN H 0.000 . 5.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
1577 2 32 TYR H 2 38 ILE HA 0.000 . 5.000 4.717 4.717 4.717 . 0 0 "[ ]" 1
1578 2 32 TYR H 2 38 ILE MD 0.000 . 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
1579 2 32 TYR H 2 38 ILE MG 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
1580 2 33 ASN HA 2 34 ILE H 0.000 . 2.900 2.917 2.917 2.917 0.017 1 0 "[ ]" 1
1581 2 33 ASN QB 2 34 ILE H 0.000 . 6.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
1582 2 33 ASN H 2 34 ILE HB 0.000 . 5.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
1583 2 33 ASN H 2 34 ILE MD 0.000 . 6.500 4.867 4.867 4.867 . 0 0 "[ ]" 1
1584 2 33 ASN H 2 34 ILE H 0.000 . 2.900 2.791 2.791 2.791 . 0 0 "[ ]" 1
1585 2 33 ASN H 2 37 ASP QB 0.000 . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
1586 2 34 ILE HA 2 35 GLU H 0.000 . 2.900 2.097 2.097 2.097 . 0 0 "[ ]" 1
1587 2 34 ILE HA 2 36 LYS H 0.000 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
1588 2 34 ILE HA 2 37 ASP H 0.000 . 5.000 4.985 4.985 4.985 . 0 0 "[ ]" 1
1589 2 34 ILE H 2 34 ILE HB 0.000 . 2.900 2.943 2.943 2.943 0.043 1 0 "[ ]" 1
1590 2 34 ILE HB 2 35 GLU H 0.000 . 5.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
1591 2 34 ILE HB 2 36 LYS H 0.000 . 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
1592 2 34 ILE HB 2 37 ASP H 0.000 . 5.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
1593 2 34 ILE HB 2 38 ILE H 0.000 . 5.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
1594 2 34 ILE MD 2 36 LYS H 0.000 . 6.500 4.633 4.633 4.633 . 0 0 "[ ]" 1
1595 2 34 ILE MD 2 37 ASP H 0.000 . 6.500 5.549 5.549 5.549 . 0 0 "[ ]" 1
1596 2 34 ILE MG 2 35 GLU H 0.000 . 5.000 2.655 2.655 2.655 . 0 0 "[ ]" 1
1597 2 34 ILE MG 2 36 LYS H 0.000 . 5.000 1.773 1.773 1.773 . 0 0 "[ ]" 1
1598 2 34 ILE MG 2 37 ASP H 0.000 . 5.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
1599 2 34 ILE MG 2 38 ILE H 0.000 . 6.500 4.409 4.409 4.409 . 0 0 "[ ]" 1
1600 2 34 ILE H 2 35 GLU H 0.000 . 5.000 4.058 4.058 4.058 . 0 0 "[ ]" 1
1601 2 34 ILE H 2 36 LYS H 0.000 . 5.000 5.103 5.103 5.103 0.103 1 0 "[ ]" 1
1602 2 34 ILE H 2 37 ASP QB 0.000 . 3.900 3.528 3.528 3.528 . 0 0 "[ ]" 1
1603 2 34 ILE H 2 37 ASP H 0.000 . 5.000 4.240 4.240 4.240 . 0 0 "[ ]" 1
1604 2 34 ILE H 2 38 ILE MD 0.000 . 6.500 2.862 2.862 2.862 . 0 0 "[ ]" 1
1605 2 34 ILE H 2 38 ILE MG 0.000 . 6.500 5.090 5.090 5.090 . 0 0 "[ ]" 1
1606 2 35 GLU HA 2 36 LYS H 0.000 . 5.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
1607 2 35 GLU HA 2 37 ASP H 0.000 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
1608 2 35 GLU HA 2 38 ILE H 0.000 . 5.000 3.438 3.438 3.438 . 0 0 "[ ]" 1
1609 2 35 GLU HA 2 39 ALA H 0.000 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
1610 1 63 GLY H 2 35 GLU HA 0.000 . 5.000 4.740 4.740 4.740 . 0 0 "[ ]" 1
1611 2 35 GLU QB 2 36 LYS H 0.000 . 6.000 2.636 2.636 2.636 . 0 0 "[ ]" 1
1612 2 35 GLU QB 2 58 VAL H 0.000 . 6.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
1613 1 63 GLY H 2 35 GLU QB 0.000 . 6.000 2.170 2.170 2.170 . 0 0 "[ ]" 1
1614 2 35 GLU QG 2 36 LYS H 0.000 . 6.000 4.524 4.524 4.524 . 0 0 "[ ]" 1
1615 2 35 GLU QG 2 58 VAL H 0.000 . 6.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
1616 2 35 GLU QG 2 59 GLY H 0.000 . 6.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
1617 2 35 GLU QG 2 60 ARG H 0.000 . 6.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
1618 1 63 GLY H 2 35 GLU QG 0.000 . 6.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
1619 2 35 GLU H 2 36 LYS H 0.000 . 5.000 3.033 3.033 3.033 . 0 0 "[ ]" 1
1620 2 35 GLU H 2 37 ASP H 0.000 . 5.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
1621 2 35 GLU H 2 38 ILE MD 0.000 . 6.500 2.711 2.711 2.711 . 0 0 "[ ]" 1
1622 2 36 LYS HA 2 37 ASP H 0.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
1623 2 36 LYS HA 2 38 ILE H 0.000 . 5.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
1624 2 36 LYS HA 2 39 ALA H 0.000 . 5.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
1625 2 36 LYS HA 2 40 ALA H 0.000 . 5.000 4.158 4.158 4.158 . 0 0 "[ ]" 1
1626 1 64 SER H 2 36 LYS HA 0.000 . 5.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
1627 2 36 LYS QB 2 37 ASP H 0.000 . 6.000 3.278 3.278 3.278 . 0 0 "[ ]" 1
1628 2 36 LYS QB 2 38 ILE H 0.000 . 6.000 5.013 5.013 5.013 . 0 0 "[ ]" 1
1629 1 64 SER H 2 36 LYS QB 0.000 . 6.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
1630 2 36 LYS H 2 36 LYS QD 0.000 . 6.000 3.774 3.774 3.774 . 0 0 "[ ]" 1
1631 2 36 LYS QE 2 37 ASP H 0.000 . 6.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
1632 2 36 LYS QG 2 37 ASP H 0.000 . 4.500 1.872 1.872 1.872 . 0 0 "[ ]" 1
1633 2 36 LYS H 2 37 ASP H 0.000 . 5.000 2.941 2.941 2.941 . 0 0 "[ ]" 1
1634 2 36 LYS H 2 38 ILE MD 0.000 . 6.500 4.490 4.490 4.490 . 0 0 "[ ]" 1
1635 2 36 LYS H 2 38 ILE H 0.000 . 5.000 4.014 4.014 4.014 . 0 0 "[ ]" 1
1636 2 36 LYS H 2 39 ALA H 0.000 . 5.000 4.794 4.794 4.794 . 0 0 "[ ]" 1
1637 1 63 GLY QA 2 36 LYS H 0.000 . 6.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
1638 1 63 GLY H 2 36 LYS H 0.000 . 5.000 5.078 5.078 5.078 0.078 1 0 "[ ]" 1
1639 2 37 ASP HA 2 38 ILE H 0.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
1640 2 37 ASP HA 2 39 ALA H 0.000 . 5.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
1641 2 37 ASP HA 2 40 ALA H 0.000 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
1642 2 37 ASP HA 2 41 HIS H 0.000 . 5.000 3.747 3.747 3.747 . 0 0 "[ ]" 1
1643 2 37 ASP QB 2 38 ILE H 0.000 . 4.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
1644 2 37 ASP H 2 38 ILE HA 0.000 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 1
1645 2 37 ASP H 2 38 ILE MD 0.000 . 6.500 4.756 4.756 4.756 . 0 0 "[ ]" 1
1646 2 37 ASP H 2 38 ILE H 0.000 . 3.500 2.425 2.425 2.425 . 0 0 "[ ]" 1
1647 2 37 ASP H 2 39 ALA H 0.000 . 5.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
1648 2 37 ASP H 2 40 ALA H 0.000 . 5.000 4.837 4.837 4.837 . 0 0 "[ ]" 1
1649 2 38 ILE HA 2 39 ALA H 0.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
1650 2 38 ILE HA 2 40 ALA H 0.000 . 5.000 4.941 4.941 4.941 . 0 0 "[ ]" 1
1651 2 38 ILE HA 2 41 HIS H 0.000 . 5.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
1652 2 38 ILE HA 2 42 ILE H 0.000 . 5.000 4.256 4.256 4.256 . 0 0 "[ ]" 1
1653 2 38 ILE H 2 38 ILE HB 0.000 . 3.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
1654 2 38 ILE HB 2 39 ALA H 0.000 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
1655 2 38 ILE HB 2 40 ALA H 0.000 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
1656 2 38 ILE H 2 38 ILE MD 0.000 . 5.000 3.430 3.430 3.430 . 0 0 "[ ]" 1
1657 2 38 ILE MD 2 39 ALA H 0.000 . 6.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
1658 2 38 ILE MG 2 39 ALA H 0.000 . 4.400 3.280 3.280 3.280 . 0 0 "[ ]" 1
1659 2 38 ILE MG 2 40 ALA H 0.000 . 6.500 5.205 5.205 5.205 . 0 0 "[ ]" 1
1660 2 38 ILE H 2 39 ALA MB 0.000 . 6.500 4.486 4.486 4.486 . 0 0 "[ ]" 1
1661 2 38 ILE H 2 39 ALA H 0.000 . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
1662 2 38 ILE H 2 40 ALA H 0.000 . 5.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
1663 2 39 ALA HA 2 40 ALA H 0.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
1664 2 39 ALA HA 2 41 HIS H 0.000 . 5.000 4.223 4.223 4.223 . 0 0 "[ ]" 1
1665 2 39 ALA HA 2 42 ILE H 0.000 . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
1666 2 39 ALA HA 2 43 LYS H 0.000 . 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
1667 2 39 ALA MB 2 40 ALA H 0.000 . 4.400 2.365 2.365 2.365 . 0 0 "[ ]" 1
1668 2 39 ALA MB 2 56 CYS H 0.000 . 6.500 4.119 4.119 4.119 . 0 0 "[ ]" 1
1669 2 39 ALA MB 2 57 ILE H 0.000 . 6.500 3.183 3.183 3.183 . 0 0 "[ ]" 1
1670 2 39 ALA MB 2 58 VAL H 0.000 . 6.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
1671 1 64 SER H 2 39 ALA MB 0.000 . 6.500 3.863 3.863 3.863 . 0 0 "[ ]" 1
1672 1 65 TYR H 2 39 ALA MB 0.000 . 5.000 2.177 2.177 2.177 . 0 0 "[ ]" 1
1673 2 39 ALA H 2 40 ALA MB 0.000 . 5.000 4.337 4.337 4.337 . 0 0 "[ ]" 1
1674 2 39 ALA H 2 40 ALA H 0.000 . 3.500 2.748 2.748 2.748 . 0 0 "[ ]" 1
1675 2 39 ALA H 2 41 HIS H 0.000 . 5.000 4.062 4.062 4.062 . 0 0 "[ ]" 1
1676 2 39 ALA H 2 58 VAL HB 0.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
1677 2 39 ALA H 2 58 VAL MG1 0.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
1678 2 39 ALA H 2 58 VAL MG2 0.000 . 4.400 2.874 2.874 2.874 . 0 0 "[ ]" 1
1679 2 39 ALA H 2 58 VAL H 0.000 . 5.000 5.048 5.048 5.048 0.048 1 0 "[ ]" 1
1680 2 40 ALA H 2 40 ALA HA 0.000 . 2.900 2.763 2.763 2.763 . 0 0 "[ ]" 1
1681 2 40 ALA HA 2 41 HIS H 0.000 . 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 1
1682 2 40 ALA HA 2 42 ILE H 0.000 . 5.000 4.746 4.746 4.746 . 0 0 "[ ]" 1
1683 2 40 ALA HA 2 43 LYS H 0.000 . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
1684 2 40 ALA HA 2 44 LYS H 0.000 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
1685 2 40 ALA MB 2 41 HIS H 0.000 . 4.400 2.743 2.743 2.743 . 0 0 "[ ]" 1
1686 2 40 ALA MB 2 42 ILE H 0.000 . 6.500 4.778 4.778 4.778 . 0 0 "[ ]" 1
1687 2 40 ALA H 2 41 HIS QB 0.000 . 6.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
1688 2 40 ALA H 2 41 HIS H 0.000 . 3.500 2.819 2.819 2.819 . 0 0 "[ ]" 1
1689 2 40 ALA H 2 42 ILE H 0.000 . 5.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
1690 2 40 ALA H 2 43 LYS H 0.000 . 5.000 4.802 4.802 4.802 . 0 0 "[ ]" 1
1691 1 65 TYR HA 2 40 ALA H 0.000 . 5.000 5.083 5.083 5.083 0.083 1 0 "[ ]" 1
1692 1 65 TYR QB 2 40 ALA H 0.000 . 6.000 2.867 2.867 2.867 . 0 0 "[ ]" 1
1693 1 65 TYR QD 2 40 ALA H 0.000 . 7.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
1694 1 65 TYR H 2 40 ALA H 0.000 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
1695 2 41 HIS H 2 41 HIS HA 0.000 . 2.900 2.834 2.834 2.834 . 0 0 "[ ]" 1
1696 2 41 HIS HA 2 42 ILE H 0.000 . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
1697 2 41 HIS HA 2 43 LYS H 0.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
1698 2 41 HIS HA 2 44 LYS H 0.000 . 5.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
1699 2 41 HIS HA 2 45 GLU H 0.000 . 5.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
1700 2 41 HIS H 2 41 HIS QB 0.000 . 3.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
1701 2 41 HIS QB 2 42 ILE H 0.000 . 6.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
1702 2 41 HIS QB 2 43 LYS H 0.000 . 6.000 4.641 4.641 4.641 . 0 0 "[ ]" 1
1703 2 41 HIS HD2 2 42 ILE H 0.000 . 5.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
1704 2 41 HIS H 2 42 ILE HA 0.000 . 5.000 5.171 5.171 5.171 0.171 1 0 "[ ]" 1
1705 2 41 HIS H 2 42 ILE MD 0.000 . 6.500 5.270 5.270 5.270 . 0 0 "[ ]" 1
1706 2 41 HIS H 2 42 ILE H 0.000 . 3.500 2.610 2.610 2.610 . 0 0 "[ ]" 1
1707 2 41 HIS H 2 43 LYS H 0.000 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
1708 2 41 HIS H 2 44 LYS H 0.000 . 5.000 4.847 4.847 4.847 . 0 0 "[ ]" 1
1709 2 42 ILE HA 2 43 LYS H 0.000 . 5.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
1710 2 42 ILE HA 2 45 GLU H 0.000 . 5.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
1711 2 42 ILE HA 2 46 PHE H 0.000 . 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
1712 2 42 ILE H 2 42 ILE HB 0.000 . 3.500 2.553 2.553 2.553 . 0 0 "[ ]" 1
1713 2 42 ILE HB 2 43 LYS H 0.000 . 3.500 2.557 2.557 2.557 . 0 0 "[ ]" 1
1714 2 42 ILE H 2 42 ILE MD 0.000 . 4.400 3.587 3.587 3.587 . 0 0 "[ ]" 1
1715 2 42 ILE MD 2 43 LYS H 0.000 . 6.500 4.533 4.533 4.533 . 0 0 "[ ]" 1
1716 2 42 ILE MG 2 43 LYS H 0.000 . 6.500 3.430 3.430 3.430 . 0 0 "[ ]" 1
1717 2 42 ILE H 2 43 LYS H 0.000 . 3.500 2.753 2.753 2.753 . 0 0 "[ ]" 1
1718 2 42 ILE H 2 44 LYS H 0.000 . 5.000 4.464 4.464 4.464 . 0 0 "[ ]" 1
1719 2 43 LYS HA 2 44 LYS H 0.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
1720 2 43 LYS HA 2 45 GLU H 0.000 . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
1721 2 43 LYS HA 2 46 PHE H 0.000 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
1722 2 43 LYS HA 2 47 ASP H 0.000 . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
1723 2 43 LYS QB 2 44 LYS H 0.000 . 6.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
1724 2 43 LYS QB 2 45 GLU H 0.000 . 6.000 4.813 4.813 4.813 . 0 0 "[ ]" 1
1725 2 43 LYS QB 2 56 CYS H 0.000 . 6.000 3.066 3.066 3.066 . 0 0 "[ ]" 1
1726 2 43 LYS H 2 44 LYS QB 0.000 . 6.000 4.841 4.841 4.841 . 0 0 "[ ]" 1
1727 2 43 LYS H 2 44 LYS QG 0.000 . 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
1728 2 43 LYS H 2 44 LYS H 0.000 . 2.900 2.891 2.891 2.891 . 0 0 "[ ]" 1
1729 2 43 LYS H 2 45 GLU H 0.000 . 5.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
1730 2 43 LYS H 2 46 PHE H 0.000 . 5.000 4.931 4.931 4.931 . 0 0 "[ ]" 1
1731 2 43 LYS H 2 56 CYS QB 0.000 . 6.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
1732 1 65 TYR QD 2 43 LYS H 0.000 . 7.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
1733 2 43 LYS H 2 85 LEU MD1 0.000 . 6.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
1734 2 44 LYS HA 2 45 GLU H 0.000 . 3.500 3.538 3.538 3.538 0.038 1 0 "[ ]" 1
1735 2 44 LYS HA 2 46 PHE H 0.000 . 5.000 4.540 4.540 4.540 . 0 0 "[ ]" 1
1736 2 44 LYS HA 2 47 ASP H 0.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
1737 2 44 LYS QB 2 45 GLU H 0.000 . 6.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
1738 2 44 LYS H 2 44 LYS QG 0.000 . 3.900 2.222 2.222 2.222 . 0 0 "[ ]" 1
1739 2 44 LYS QG 2 45 GLU H 0.000 . 6.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
1740 2 44 LYS H 2 45 GLU QB 0.000 . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
1741 2 44 LYS H 2 45 GLU H 0.000 . 2.900 2.800 2.800 2.800 . 0 0 "[ ]" 1
1742 2 44 LYS H 2 46 PHE H 0.000 . 5.000 4.374 4.374 4.374 . 0 0 "[ ]" 1
1743 2 44 LYS H 2 47 ASP H 0.000 . 5.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
1744 1 65 TYR QD 2 44 LYS H 0.000 . 7.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
1745 1 65 TYR QE 2 44 LYS H 0.000 . 7.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
1746 2 45 GLU H 2 45 GLU HA 0.000 . 2.900 2.798 2.798 2.798 . 0 0 "[ ]" 1
1747 2 45 GLU HA 2 46 PHE H 0.000 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
1748 2 45 GLU HA 2 47 ASP H 0.000 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
1749 2 45 GLU HA 2 48 LYS H 0.000 . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 1
1750 2 45 GLU HA 2 49 LYS H 0.000 . 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
1751 2 45 GLU H 2 45 GLU QB 0.000 . 3.500 2.484 2.484 2.484 . 0 0 "[ ]" 1
1752 2 45 GLU QB 2 46 PHE H 0.000 . 4.500 2.524 2.524 2.524 . 0 0 "[ ]" 1
1753 2 45 GLU H 2 46 PHE QB 0.000 . 6.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
1754 2 45 GLU H 2 46 PHE QD 0.000 . 7.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
1755 2 45 GLU H 2 46 PHE H 0.000 . 2.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
1756 2 45 GLU H 2 47 ASP H 0.000 . 5.000 4.053 4.053 4.053 . 0 0 "[ ]" 1
1757 2 45 GLU H 2 48 LYS QE 0.000 . 6.000 6.013 6.013 6.013 0.013 1 0 "[ ]" 1
1758 2 45 GLU H 2 48 LYS H 0.000 . 5.000 4.570 4.570 4.570 . 0 0 "[ ]" 1
1759 2 46 PHE HA 2 47 ASP H 0.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
1760 2 46 PHE HA 2 49 LYS H 0.000 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
1761 2 46 PHE HA 2 50 TYR H 0.000 . 5.000 2.757 2.757 2.757 . 0 0 "[ ]" 1
1762 2 46 PHE HA 2 54 TRP HE1 0.000 . 5.000 4.681 4.681 4.681 . 0 0 "[ ]" 1
1763 2 46 PHE H 2 46 PHE QB 0.000 . 3.500 2.223 2.223 2.223 . 0 0 "[ ]" 1
1764 2 46 PHE QB 2 47 ASP H 0.000 . 6.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
1765 2 46 PHE H 2 46 PHE QD 0.000 . 5.500 2.739 2.739 2.739 . 0 0 "[ ]" 1
1766 2 46 PHE QD 2 47 ASP H 0.000 . 7.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
1767 2 46 PHE QD 2 54 TRP HE1 0.000 . 7.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
1768 2 46 PHE H 2 46 PHE QE 0.000 . 7.000 4.744 4.744 4.744 . 0 0 "[ ]" 1
1769 2 46 PHE H 2 47 ASP HA 0.000 . 5.000 5.094 5.094 5.094 0.094 1 0 "[ ]" 1
1770 2 46 PHE H 2 47 ASP QB 0.000 . 6.000 4.223 4.223 4.223 . 0 0 "[ ]" 1
1771 2 46 PHE H 2 47 ASP H 0.000 . 2.900 2.465 2.465 2.465 . 0 0 "[ ]" 1
1772 2 46 PHE H 2 48 LYS H 0.000 . 5.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
1773 2 47 ASP HA 2 48 LYS H 0.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
1774 2 47 ASP HA 2 50 TYR H 0.000 . 5.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
1775 2 47 ASP HA 2 51 ASN H 0.000 . 5.000 3.956 3.956 3.956 . 0 0 "[ ]" 1
1776 2 47 ASP HA 2 54 TRP HE1 0.000 . 3.500 3.288 3.288 3.288 . 0 0 "[ ]" 1
1777 2 47 ASP HA 2 54 TRP H 0.000 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
1778 2 47 ASP H 2 47 ASP QB 0.000 . 3.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
1779 2 47 ASP QB 2 48 LYS H 0.000 . 4.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
1780 2 47 ASP QB 2 54 TRP H 0.000 . 6.000 2.639 2.639 2.639 . 0 0 "[ ]" 1
1781 2 47 ASP H 2 48 LYS QB 0.000 . 6.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
1782 2 47 ASP H 2 48 LYS QG 0.000 . 6.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
1783 2 47 ASP H 2 48 LYS H 0.000 . 2.900 2.567 2.567 2.567 . 0 0 "[ ]" 1
1784 2 47 ASP H 2 49 LYS H 0.000 . 5.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
1785 2 47 ASP H 2 50 TYR H 0.000 . 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
1786 2 47 ASP H 2 52 PRO HA 0.000 . 5.000 5.047 5.047 5.047 0.047 1 0 "[ ]" 1
1787 2 47 ASP H 2 54 TRP QB 0.000 . 6.000 3.341 3.341 3.341 . 0 0 "[ ]" 1
1788 2 47 ASP H 2 54 TRP HD1 0.000 . 5.000 3.654 3.654 3.654 . 0 0 "[ ]" 1
1789 2 47 ASP H 2 54 TRP HE1 0.000 . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1
1790 2 47 ASP H 2 54 TRP H 0.000 . 5.000 4.628 4.628 4.628 . 0 0 "[ ]" 1
1791 2 48 LYS H 2 48 LYS HA 0.000 . 2.900 2.896 2.896 2.896 . 0 0 "[ ]" 1
1792 2 48 LYS HA 2 49 LYS H 0.000 . 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 1
1793 2 48 LYS HA 2 50 TYR H 0.000 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 1
1794 2 48 LYS H 2 48 LYS QB 0.000 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 1
1795 2 48 LYS QB 2 49 LYS H 0.000 . 3.900 2.673 2.673 2.673 . 0 0 "[ ]" 1
1796 2 48 LYS QB 2 50 TYR H 0.000 . 6.000 4.863 4.863 4.863 . 0 0 "[ ]" 1
1797 2 48 LYS H 2 48 LYS QD 0.000 . 6.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
1798 2 48 LYS QD 2 49 LYS H 0.000 . 6.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
1799 2 48 LYS QE 2 49 LYS H 0.000 . 6.000 5.045 5.045 5.045 . 0 0 "[ ]" 1
1800 2 48 LYS H 2 48 LYS QG 0.000 . 4.500 2.537 2.537 2.537 . 0 0 "[ ]" 1
1801 2 48 LYS QG 2 49 LYS H 0.000 . 6.000 4.182 4.182 4.182 . 0 0 "[ ]" 1
1802 2 48 LYS H 2 49 LYS HA 0.000 . 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 1
1803 2 48 LYS H 2 49 LYS H 0.000 . 2.900 2.382 2.382 2.382 . 0 0 "[ ]" 1
1804 2 48 LYS H 2 50 TYR H 0.000 . 5.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
1805 2 48 LYS H 2 51 ASN H 0.000 . 5.000 4.382 4.382 4.382 . 0 0 "[ ]" 1
1806 2 54 TRP HE1 2 72 HIS HD2 0.000 . 5.000 4.136 4.136 4.136 . 0 0 "[ ]" 1
1807 2 49 LYS H 2 49 LYS HA 0.000 . 2.900 2.887 2.887 2.887 . 0 0 "[ ]" 1
1808 2 49 LYS HA 2 50 TYR H 0.000 . 3.500 3.550 3.550 3.550 0.050 1 0 "[ ]" 1
1809 2 49 LYS HA 2 51 ASN H 0.000 . 5.000 3.927 3.927 3.927 . 0 0 "[ ]" 1
1810 2 49 LYS H 2 49 LYS QB 0.000 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
1811 2 49 LYS QB 2 50 TYR H 0.000 . 4.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
1812 2 49 LYS QB 2 51 ASN H 0.000 . 6.000 4.331 4.331 4.331 . 0 0 "[ ]" 1
1813 2 49 LYS QE 2 50 TYR H 0.000 . 6.000 5.978 5.978 5.978 . 0 0 "[ ]" 1
1814 2 49 LYS QG 2 50 TYR H 0.000 . 6.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
1815 2 49 LYS H 2 50 TYR HA 0.000 . 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1
1816 2 49 LYS H 2 50 TYR QD 0.000 . 7.000 4.546 4.546 4.546 . 0 0 "[ ]" 1
1817 2 49 LYS H 2 50 TYR H 0.000 . 2.900 2.459 2.459 2.459 . 0 0 "[ ]" 1
1818 2 49 LYS H 2 51 ASN H 0.000 . 5.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
1819 2 50 TYR HA 2 51 ASN H 0.000 . 3.500 3.223 3.223 3.223 . 0 0 "[ ]" 1
1820 2 50 TYR HA 2 54 TRP HE1 0.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
1821 2 50 TYR QB 2 51 ASN H 0.000 . 4.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
1822 2 50 TYR QB 2 54 TRP HE1 0.000 . 3.900 2.443 2.443 2.443 . 0 0 "[ ]" 1
1823 2 50 TYR H 2 50 TYR QD 0.000 . 5.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
1824 2 50 TYR QD 2 51 ASN H 0.000 . 7.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
1825 2 50 TYR QD 2 54 TRP HE1 0.000 . 5.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
1826 2 50 TYR H 2 50 TYR QE 0.000 . 7.000 4.809 4.809 4.809 . 0 0 "[ ]" 1
1827 2 50 TYR QE 2 54 TRP HE1 0.000 . 7.000 6.541 6.541 6.541 . 0 0 "[ ]" 1
1828 2 50 TYR H 2 51 ASN HA 0.000 . 5.000 4.765 4.765 4.765 . 0 0 "[ ]" 1
1829 2 50 TYR H 2 51 ASN HD21 0.000 . 5.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
1830 2 50 TYR H 2 51 ASN H 0.000 . 2.900 2.531 2.531 2.531 . 0 0 "[ ]" 1
1831 2 50 TYR H 2 54 TRP HE1 0.000 . 5.000 4.123 4.123 4.123 . 0 0 "[ ]" 1
1832 2 50 TYR H 2 54 TRP HZ2 0.000 . 5.000 5.069 5.069 5.069 0.069 1 0 "[ ]" 1
1833 2 51 ASN H 2 51 ASN HA 0.000 . 2.900 2.272 2.272 2.272 . 0 0 "[ ]" 1
1834 2 51 ASN H 2 52 PRO HA 0.000 . 5.000 5.124 5.124 5.124 0.124 1 0 "[ ]" 1
1835 2 51 ASN H 2 52 PRO QD 0.000 . 4.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
1836 2 51 ASN H 2 52 PRO QG 0.000 . 6.000 5.694 5.694 5.694 . 0 0 "[ ]" 1
1837 2 51 ASN H 2 54 TRP HD1 0.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
1838 2 51 ASN H 2 54 TRP HE1 0.000 . 5.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
1839 2 52 PRO HA 2 53 THR H 0.000 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
1840 2 52 PRO HA 2 54 TRP HE1 0.000 . 5.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
1841 2 52 PRO HA 2 54 TRP H 0.000 . 3.500 3.077 3.077 3.077 . 0 0 "[ ]" 1
1842 2 52 PRO QB 2 53 THR H 0.000 . 6.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
1843 2 52 PRO QB 2 54 TRP H 0.000 . 6.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
1844 2 52 PRO QG 2 54 TRP H 0.000 . 6.000 5.879 5.879 5.879 . 0 0 "[ ]" 1
1845 2 53 THR H 2 53 THR HA 0.000 . 2.900 2.940 2.940 2.940 0.040 1 0 "[ ]" 1
1846 2 53 THR HA 2 54 TRP HE1 0.000 . 5.000 5.062 5.062 5.062 0.062 1 0 "[ ]" 1
1847 2 53 THR HA 2 54 TRP H 0.000 . 2.900 2.168 2.168 2.168 . 0 0 "[ ]" 1
1848 2 53 THR HB 2 54 TRP H 0.000 . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
1849 2 53 THR HB 2 88 SER H 0.000 . 5.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
1850 2 53 THR HB 2 89 GLY H 0.000 . 2.900 2.930 2.930 2.930 0.030 1 0 "[ ]" 1
1851 2 53 THR MG 2 54 TRP H 0.000 . 6.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
1852 1 67 THR H 2 53 THR MG 0.000 . 6.500 3.942 3.942 3.942 . 0 0 "[ ]" 1
1853 1 68 HIS H 2 53 THR MG 0.000 . 6.500 6.419 6.419 6.419 . 0 0 "[ ]" 1
1854 2 53 THR MG 2 88 SER H 0.000 . 6.500 3.766 3.766 3.766 . 0 0 "[ ]" 1
1855 2 53 THR MG 2 89 GLY H 0.000 . 6.500 4.084 4.084 4.084 . 0 0 "[ ]" 1
1856 2 53 THR H 2 54 TRP HD1 0.000 . 5.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
1857 2 53 THR H 2 54 TRP H 0.000 . 5.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
1858 2 53 THR H 2 87 LYS HA 0.000 . 5.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
1859 2 53 THR H 2 87 LYS QB 0.000 . 4.500 3.259 3.259 3.259 . 0 0 "[ ]" 1
1860 2 53 THR H 2 87 LYS QD 0.000 . 4.500 4.430 4.430 4.430 . 0 0 "[ ]" 1
1861 2 53 THR H 2 87 LYS QE 0.000 . 6.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
1862 2 53 THR H 2 87 LYS QG 0.000 . 4.500 4.097 4.097 4.097 . 0 0 "[ ]" 1
1863 2 53 THR H 2 88 SER H 0.000 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
1864 2 53 THR H 2 89 GLY QA 0.000 . 3.900 3.410 3.410 3.410 . 0 0 "[ ]" 1
1865 2 53 THR H 2 89 GLY H 0.000 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
1866 2 54 TRP HA 2 55 HIS H 0.000 . 2.900 2.161 2.161 2.161 . 0 0 "[ ]" 1
1867 2 54 TRP HA 2 86 PHE H 0.000 . 5.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
1868 2 54 TRP HA 2 88 SER H 0.000 . 5.000 3.334 3.334 3.334 . 0 0 "[ ]" 1
1869 2 54 TRP QB 2 55 HIS H 0.000 . 4.500 2.957 2.957 2.957 . 0 0 "[ ]" 1
1870 2 54 TRP QB 2 86 PHE H 0.000 . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
1871 2 54 TRP H 2 54 TRP HD1 0.000 . 3.500 2.553 2.553 2.553 . 0 0 "[ ]" 1
1872 2 54 TRP H 2 54 TRP HE1 0.000 . 5.000 5.014 5.014 5.014 0.014 1 0 "[ ]" 1
1873 2 54 TRP HE1 2 87 LYS QB 0.000 . 6.000 5.020 5.020 5.020 . 0 0 "[ ]" 1
1874 2 54 TRP HE1 2 87 LYS QD 0.000 . 4.500 2.740 2.740 2.740 . 0 0 "[ ]" 1
1875 2 54 TRP HE1 2 87 LYS QE 0.000 . 4.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
1876 2 54 TRP HE1 2 87 LYS QG 0.000 . 6.000 3.411 3.411 3.411 . 0 0 "[ ]" 1
1877 2 54 TRP HE3 2 55 HIS H 0.000 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
1878 2 54 TRP HE3 2 86 PHE H 0.000 . 5.000 3.179 3.179 3.179 . 0 0 "[ ]" 1
1879 2 54 TRP HE3 2 87 LYS H 0.000 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
1880 2 54 TRP HH2 2 73 PHE H 0.000 . 5.000 5.072 5.072 5.072 0.072 1 0 "[ ]" 1
1881 2 54 TRP H 2 55 HIS H 0.000 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
1882 2 54 TRP H 2 87 LYS QG 0.000 . 6.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
1883 2 55 HIS H 2 55 HIS HA 0.000 . 2.900 2.935 2.935 2.935 0.035 1 0 "[ ]" 1
1884 2 55 HIS HA 2 56 CYS H 0.000 . 2.900 2.238 2.238 2.238 . 0 0 "[ ]" 1
1885 1 67 THR H 2 55 HIS HA 0.000 . 5.000 4.573 4.573 4.573 . 0 0 "[ ]" 1
1886 2 55 HIS QB 2 56 CYS H 0.000 . 6.000 3.136 3.136 3.136 . 0 0 "[ ]" 1
1887 1 67 THR H 2 55 HIS QB 0.000 . 6.000 4.755 4.755 4.755 . 0 0 "[ ]" 1
1888 2 55 HIS QB 2 86 PHE H 0.000 . 6.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
1889 2 55 HIS H 2 55 HIS HD2 0.000 . 3.500 2.690 2.690 2.690 . 0 0 "[ ]" 1
1890 2 55 HIS HD2 2 88 SER H 0.000 . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 1
1891 2 55 HIS H 2 56 CYS H 0.000 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
1892 2 55 HIS H 2 85 LEU HA 0.000 . 5.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
1893 2 55 HIS H 2 85 LEU MD1 0.000 . 6.500 3.318 3.318 3.318 . 0 0 "[ ]" 1
1894 2 55 HIS H 2 85 LEU MD2 0.000 . 6.500 5.753 5.753 5.753 . 0 0 "[ ]" 1
1895 2 55 HIS H 2 85 LEU HG 0.000 . 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 1
1896 2 55 HIS H 2 86 PHE HA 0.000 . 5.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
1897 2 55 HIS H 2 86 PHE QD 0.000 . 7.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
1898 2 55 HIS H 2 86 PHE QE 0.000 . 7.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
1899 2 55 HIS H 2 86 PHE H 0.000 . 5.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
1900 2 55 HIS H 2 87 LYS HA 0.000 . 3.500 2.828 2.828 2.828 . 0 0 "[ ]" 1
1901 2 55 HIS H 2 87 LYS QB 0.000 . 6.000 4.853 4.853 4.853 . 0 0 "[ ]" 1
1902 2 55 HIS H 2 88 SER H 0.000 . 5.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
1903 2 56 CYS HA 2 57 ILE H 0.000 . 2.900 2.186 2.186 2.186 . 0 0 "[ ]" 1
1904 2 56 CYS HA 2 84 LEU H 0.000 . 5.000 4.923 4.923 4.923 . 0 0 "[ ]" 1
1905 2 56 CYS HA 2 86 PHE H 0.000 . 5.000 3.870 3.870 3.870 . 0 0 "[ ]" 1
1906 2 56 CYS QB 2 57 ILE H 0.000 . 6.000 3.479 3.479 3.479 . 0 0 "[ ]" 1
1907 2 56 CYS QB 2 86 PHE H 0.000 . 6.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
1908 2 56 CYS H 2 57 ILE MD 0.000 . 6.500 5.258 5.258 5.258 . 0 0 "[ ]" 1
1909 2 56 CYS H 2 57 ILE H 0.000 . 5.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
1910 1 64 SER HA 2 56 CYS H 0.000 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 1
1911 1 64 SER QB 2 56 CYS H 0.000 . 6.000 4.164 4.164 4.164 . 0 0 "[ ]" 1
1912 1 65 TYR QD 2 56 CYS H 0.000 . 7.000 5.280 5.280 5.280 . 0 0 "[ ]" 1
1913 1 65 TYR QE 2 56 CYS H 0.000 . 7.000 7.001 7.001 7.001 0.001 1 0 "[ ]" 1
1914 1 65 TYR H 2 56 CYS H 0.000 . 5.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
1915 1 66 VAL HA 2 56 CYS H 0.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
1916 1 66 VAL MG2 2 56 CYS H 0.000 . 6.500 5.333 5.333 5.333 . 0 0 "[ ]" 1
1917 2 56 CYS H 2 85 LEU HA 0.000 . 5.000 5.000 5.000 5.000 . 1 0 "[ ]" 1
1918 2 56 CYS H 2 85 LEU MD1 0.000 . 5.000 4.184 4.184 4.184 . 0 0 "[ ]" 1
1919 2 57 ILE HA 2 58 VAL H 0.000 . 2.900 2.298 2.298 2.298 . 0 0 "[ ]" 1
1920 1 64 SER H 2 57 ILE HA 0.000 . 5.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
1921 1 65 TYR H 2 57 ILE HA 0.000 . 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1
1922 2 57 ILE H 2 57 ILE HB 0.000 . 3.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
1923 2 57 ILE HB 2 58 VAL H 0.000 . 3.500 3.585 3.585 3.585 0.085 1 0 "[ ]" 1
1924 2 57 ILE HB 2 84 LEU H 0.000 . 5.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
1925 2 57 ILE H 2 57 ILE MD 0.000 . 5.000 4.226 4.226 4.226 . 0 0 "[ ]" 1
1926 1 65 TYR H 2 57 ILE MD 0.000 . 6.500 5.544 5.544 5.544 . 0 0 "[ ]" 1
1927 2 57 ILE MG 2 58 VAL H 0.000 . 5.000 1.847 1.847 1.847 . 0 0 "[ ]" 1
1928 2 57 ILE MG 2 59 GLY H 0.000 . 6.500 4.440 4.440 4.440 . 0 0 "[ ]" 1
1929 1 62 PHE H 2 57 ILE MG 0.000 . 6.500 6.219 6.219 6.219 . 0 0 "[ ]" 1
1930 1 63 GLY H 2 57 ILE MG 0.000 . 6.500 3.170 3.170 3.170 . 0 0 "[ ]" 1
1931 2 57 ILE MG 2 84 LEU H 0.000 . 6.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
1932 2 57 ILE H 2 58 VAL H 0.000 . 5.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
1933 1 65 TYR H 2 57 ILE H 0.000 . 5.000 4.973 4.973 4.973 . 0 0 "[ ]" 1
1934 2 57 ILE H 2 83 ILE HA 0.000 . 5.000 4.649 4.649 4.649 . 0 0 "[ ]" 1
1935 2 57 ILE H 2 83 ILE MG 0.000 . 6.500 4.012 4.012 4.012 . 0 0 "[ ]" 1
1936 2 57 ILE H 2 84 LEU HA 0.000 . 5.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
1937 2 57 ILE H 2 84 LEU QB 0.000 . 6.000 2.953 2.953 2.953 . 0 0 "[ ]" 1
1938 2 57 ILE H 2 84 LEU MD2 0.000 . 6.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
1939 2 57 ILE H 2 84 LEU HG 0.000 . 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
1940 2 57 ILE H 2 84 LEU H 0.000 . 3.500 3.085 3.085 3.085 . 0 0 "[ ]" 1
1941 2 57 ILE H 2 85 LEU HA 0.000 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
1942 2 57 ILE H 2 85 LEU QB 0.000 . 6.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
1943 2 57 ILE H 2 85 LEU MD1 0.000 . 6.500 4.467 4.467 4.467 . 0 0 "[ ]" 1
1944 2 57 ILE H 2 86 PHE QD 0.000 . 7.000 6.090 6.090 6.090 . 0 0 "[ ]" 1
1945 2 58 VAL HA 2 59 GLY H 0.000 . 2.900 2.225 2.225 2.225 . 0 0 "[ ]" 1
1946 2 58 VAL HA 2 82 ALA H 0.000 . 5.000 4.270 4.270 4.270 . 0 0 "[ ]" 1
1947 2 58 VAL HA 2 84 LEU H 0.000 . 5.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
1948 2 58 VAL H 2 58 VAL HB 0.000 . 3.500 2.974 2.974 2.974 . 0 0 "[ ]" 1
1949 2 58 VAL HB 2 59 GLY H 0.000 . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
1950 1 63 GLY H 2 58 VAL HB 0.000 . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
1951 2 58 VAL MG1 2 59 GLY H 0.000 . 5.000 2.177 2.177 2.177 . 0 0 "[ ]" 1
1952 2 58 VAL MG1 2 82 ALA H 0.000 . 5.000 3.297 3.297 3.297 . 0 0 "[ ]" 1
1953 2 58 VAL MG2 2 59 GLY H 0.000 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
1954 2 58 VAL MG2 2 84 LEU H 0.000 . 6.500 3.191 3.191 3.191 . 0 0 "[ ]" 1
1955 2 58 VAL H 2 59 GLY H 0.000 . 5.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
1956 1 62 PHE HA 2 58 VAL H 0.000 . 5.000 5.046 5.046 5.046 0.046 1 0 "[ ]" 1
1957 1 62 PHE QB 2 58 VAL H 0.000 . 6.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
1958 1 62 PHE QD 2 58 VAL H 0.000 . 7.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
1959 1 62 PHE QE 2 58 VAL H 0.000 . 7.000 5.589 5.589 5.589 . 0 0 "[ ]" 1
1960 1 63 GLY H 2 58 VAL H 0.000 . 5.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
1961 1 64 SER HA 2 58 VAL H 0.000 . 5.000 3.456 3.456 3.456 . 0 0 "[ ]" 1
1962 1 64 SER QB 2 58 VAL H 0.000 . 6.000 3.063 3.063 3.063 . 0 0 "[ ]" 1
1963 1 64 SER H 2 58 VAL H 0.000 . 5.000 4.780 4.780 4.780 . 0 0 "[ ]" 1
1964 2 59 GLY QA 2 60 ARG H 0.000 . 4.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
1965 2 59 GLY QA 2 61 ASN H 0.000 . 6.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
1966 1 62 PHE H 2 59 GLY QA 0.000 . 4.500 4.333 4.333 4.333 . 0 0 "[ ]" 1
1967 1 63 GLY H 2 59 GLY QA 0.000 . 6.000 3.281 3.281 3.281 . 0 0 "[ ]" 1
1968 2 59 GLY QA 2 82 ALA H 0.000 . 6.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
1969 2 59 GLY H 2 60 ARG H 0.000 . 5.000 4.337 4.337 4.337 . 0 0 "[ ]" 1
1970 1 62 PHE QB 2 59 GLY H 0.000 . 6.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
1971 2 59 GLY H 2 62 PHE QD 0.000 . 7.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
1972 2 59 GLY H 2 62 PHE QE 0.000 . 5.500 2.272 2.272 2.272 . 0 0 "[ ]" 1
1973 2 59 GLY H 2 62 PHE HZ 0.000 . 5.000 4.142 4.142 4.142 . 0 0 "[ ]" 1
1974 1 63 GLY H 2 59 GLY H 0.000 . 5.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
1975 2 59 GLY H 2 81 VAL HA 0.000 . 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
1976 2 59 GLY H 2 81 VAL HB 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
1977 2 59 GLY H 2 81 VAL MG1 0.000 . 6.500 4.841 4.841 4.841 . 0 0 "[ ]" 1
1978 2 59 GLY H 2 81 VAL MG2 0.000 . 6.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
1979 2 59 GLY H 2 82 ALA MB 0.000 . 6.500 3.067 3.067 3.067 . 0 0 "[ ]" 1
1980 2 59 GLY H 2 82 ALA H 0.000 . 5.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
1981 2 59 GLY H 2 83 ILE HA 0.000 . 5.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
1982 2 59 GLY H 2 83 ILE MG 0.000 . 6.500 5.645 5.645 5.645 . 0 0 "[ ]" 1
1983 2 59 GLY H 2 83 ILE H 0.000 . 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 1
1984 2 59 GLY H 2 84 LEU H 0.000 . 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 1
1985 2 60 ARG HA 2 61 ASN H 0.000 . 5.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
1986 2 60 ARG HA 2 82 ALA H 0.000 . 5.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
1987 2 60 ARG QB 2 61 ASN H 0.000 . 6.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
1988 2 60 ARG QB 2 82 ALA H 0.000 . 6.000 5.326 5.326 5.326 . 0 0 "[ ]" 1
1989 2 60 ARG H 2 60 ARG QD 0.000 . 6.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
1990 2 60 ARG H 2 60 ARG QG 0.000 . 4.500 2.144 2.144 2.144 . 0 0 "[ ]" 1
1991 2 60 ARG QG 2 61 ASN H 0.000 . 6.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
1992 2 60 ARG QG 2 82 ALA H 0.000 . 6.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
1993 2 60 ARG H 2 61 ASN HA 0.000 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 1
1994 1 61 ASN QB 2 60 ARG H 0.000 . 4.500 4.174 4.174 4.174 . 0 0 "[ ]" 1
1995 2 60 ARG H 2 61 ASN H 0.000 . 2.900 2.482 2.482 2.482 . 0 0 "[ ]" 1
1996 1 62 PHE HA 2 60 ARG H 0.000 . 5.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
1997 2 60 ARG H 2 62 PHE QD 0.000 . 7.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
1998 2 60 ARG H 2 62 PHE QE 0.000 . 7.000 4.853 4.853 4.853 . 0 0 "[ ]" 1
1999 1 62 PHE H 2 60 ARG H 0.000 . 5.000 5.066 5.066 5.066 0.066 1 0 "[ ]" 1
2000 2 60 ARG H 2 81 VAL HA 0.000 . 5.000 4.254 4.254 4.254 . 0 0 "[ ]" 1
2001 2 60 ARG H 2 81 VAL MG2 0.000 . 6.500 3.547 3.547 3.547 . 0 0 "[ ]" 1
2002 2 61 ASN HA 2 61 ASN HD22 0.000 . 5.000 4.632 4.632 4.632 . 0 0 "[ ]" 1
2003 2 61 ASN HA 2 62 PHE H 0.000 . 2.900 2.196 2.196 2.196 . 0 0 "[ ]" 1
2004 2 61 ASN H 2 61 ASN QB 0.000 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
2005 2 61 ASN QB 2 62 PHE H 0.000 . 6.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
2006 2 61 ASN HD21 2 62 PHE H 0.000 . 5.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
2007 1 62 PHE HA 2 61 ASN H 0.000 . 5.000 4.734 4.734 4.734 . 0 0 "[ ]" 1
2008 2 61 ASN H 2 62 PHE QB 0.000 . 6.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
2009 2 61 ASN H 2 62 PHE QD 0.000 . 5.500 3.101 3.101 3.101 . 0 0 "[ ]" 1
2010 2 61 ASN H 2 62 PHE QE 0.000 . 7.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
2011 2 61 ASN H 2 62 PHE H 0.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
2012 2 62 PHE HA 2 63 GLY H 0.000 . 3.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
2013 2 62 PHE QB 2 63 GLY H 0.000 . 4.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
2014 2 62 PHE QD 2 63 GLY H 0.000 . 7.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
2015 2 62 PHE QD 2 64 SER H 0.000 . 7.000 4.147 4.147 4.147 . 0 0 "[ ]" 1
2016 2 62 PHE H 2 62 PHE QE 0.000 . 7.000 4.918 4.918 4.918 . 0 0 "[ ]" 1
2017 2 62 PHE QE 2 63 GLY H 0.000 . 7.000 5.620 5.620 5.620 . 0 0 "[ ]" 1
2018 2 62 PHE QE 2 64 SER H 0.000 . 7.000 4.900 4.900 4.900 . 0 0 "[ ]" 1
2019 2 62 PHE QE 2 84 LEU H 0.000 . 7.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
2020 2 62 PHE H 2 63 GLY H 0.000 . 5.000 4.183 4.183 4.183 . 0 0 "[ ]" 1
2021 2 62 PHE HZ 2 84 LEU H 0.000 . 5.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
2022 2 63 GLY QA 2 64 SER H 0.000 . 4.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
2023 2 63 GLY H 2 64 SER H 0.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
2024 2 64 SER HA 2 65 TYR H 0.000 . 2.900 2.196 2.196 2.196 . 0 0 "[ ]" 1
2025 2 64 SER QB 2 65 TYR H 0.000 . 4.500 2.715 2.715 2.715 . 0 0 "[ ]" 1
2026 2 64 SER H 2 65 TYR H 0.000 . 5.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
2027 2 65 TYR HA 2 66 VAL H 0.000 . 2.900 2.225 2.225 2.225 . 0 0 "[ ]" 1
2028 2 65 TYR QB 2 66 VAL H 0.000 . 6.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
2029 2 65 TYR QD 2 66 VAL H 0.000 . 7.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
2030 2 65 TYR H 2 65 TYR QE 0.000 . 7.000 6.294 6.294 6.294 . 0 0 "[ ]" 1
2031 2 65 TYR QE 2 66 VAL H 0.000 . 7.000 4.184 4.184 4.184 . 0 0 "[ ]" 1
2032 2 65 TYR H 2 66 VAL HA 0.000 . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
2033 2 65 TYR H 2 66 VAL MG1 0.000 . 6.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
2034 2 65 TYR H 2 66 VAL MG2 0.000 . 6.500 4.873 4.873 4.873 . 0 0 "[ ]" 1
2035 2 65 TYR H 2 66 VAL H 0.000 . 5.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
2036 2 66 VAL HA 2 67 THR H 0.000 . 2.900 2.235 2.235 2.235 . 0 0 "[ ]" 1
2037 2 66 VAL HB 2 67 THR H 0.000 . 3.500 2.683 2.683 2.683 . 0 0 "[ ]" 1
2038 2 66 VAL MG1 2 67 THR H 0.000 . 6.500 3.683 3.683 3.683 . 0 0 "[ ]" 1
2039 2 66 VAL MG1 2 68 HIS H 0.000 . 6.500 6.556 6.556 6.556 0.056 1 0 "[ ]" 1
2040 2 66 VAL MG2 2 67 THR H 0.000 . 6.500 3.715 3.715 3.715 . 0 0 "[ ]" 1
2041 2 66 VAL MG2 2 68 HIS H 0.000 . 6.500 4.778 4.778 4.778 . 0 0 "[ ]" 1
2042 2 66 VAL H 2 67 THR H 0.000 . 5.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
2043 2 67 THR HA 2 68 HIS H 0.000 . 2.900 2.168 2.168 2.168 . 0 0 "[ ]" 1
2044 2 67 THR H 2 67 THR HB 0.000 . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
2045 2 67 THR HB 2 68 HIS H 0.000 . 5.000 4.054 4.054 4.054 . 0 0 "[ ]" 1
2046 2 67 THR MG 2 68 HIS H 0.000 . 4.400 2.225 2.225 2.225 . 0 0 "[ ]" 1
2047 2 67 THR H 2 68 HIS QB 0.000 . 6.000 5.034 5.034 5.034 . 0 0 "[ ]" 1
2048 2 67 THR H 2 68 HIS H 0.000 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1
2049 2 67 THR H 2 86 PHE QE 0.000 . 7.000 4.273 4.273 4.273 . 0 0 "[ ]" 1
2050 2 68 HIS HA 2 69 GLU H 0.000 . 2.900 2.689 2.689 2.689 . 0 0 "[ ]" 1
2051 2 68 HIS HA 2 87 LYS H 0.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
2052 2 68 HIS HA 2 88 SER H 0.000 . 5.000 4.423 4.423 4.423 . 0 0 "[ ]" 1
2053 2 68 HIS HA 2 89 GLY H 0.000 . 5.000 5.092 5.092 5.092 0.092 1 0 "[ ]" 1
2054 2 68 HIS QB 2 69 GLU H 0.000 . 4.500 1.957 1.957 1.957 . 0 0 "[ ]" 1
2055 2 68 HIS QB 2 87 LYS H 0.000 . 6.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
2056 2 68 HIS H 2 68 HIS HD2 0.000 . 3.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
2057 2 68 HIS HE1 2 70 THR H 0.000 . 5.000 4.935 4.935 4.935 . 0 0 "[ ]" 1
2058 2 68 HIS HE1 2 71 LYS H 0.000 . 5.000 3.542 3.542 3.542 . 0 0 "[ ]" 1
2059 2 68 HIS HE1 2 72 HIS H 0.000 . 5.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
2060 2 68 HIS H 2 69 GLU H 0.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
2061 2 68 HIS H 2 86 PHE QD 0.000 . 7.000 4.981 4.981 4.981 . 0 0 "[ ]" 1
2062 2 68 HIS H 2 86 PHE QE 0.000 . 7.000 5.458 5.458 5.458 . 0 0 "[ ]" 1
2063 2 69 GLU HA 2 70 THR H 0.000 . 3.500 3.268 3.268 3.268 . 0 0 "[ ]" 1
2064 2 69 GLU H 2 69 GLU QB 0.000 . 3.500 2.447 2.447 2.447 . 0 0 "[ ]" 1
2065 2 69 GLU QB 2 70 THR H 0.000 . 6.000 1.782 1.782 1.782 . 0 0 "[ ]" 1
2066 2 69 GLU QB 2 72 HIS H 0.000 . 6.000 4.238 4.238 4.238 . 0 0 "[ ]" 1
2067 2 69 GLU QB 2 87 LYS H 0.000 . 6.000 4.254 4.254 4.254 . 0 0 "[ ]" 1
2068 2 69 GLU QB 2 89 GLY H 0.000 . 6.000 5.244 5.244 5.244 . 0 0 "[ ]" 1
2069 2 69 GLU QG 2 70 THR H 0.000 . 6.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
2070 2 69 GLU QG 2 89 GLY H 0.000 . 6.000 3.237 3.237 3.237 . 0 0 "[ ]" 1
2071 2 69 GLU H 2 70 THR H 0.000 . 5.000 3.859 3.859 3.859 . 0 0 "[ ]" 1
2072 2 69 GLU H 2 72 HIS QB 0.000 . 6.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
2073 2 69 GLU H 2 86 PHE QB 0.000 . 6.000 4.236 4.236 4.236 . 0 0 "[ ]" 1
2074 2 69 GLU H 2 86 PHE QD 0.000 . 7.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
2075 2 69 GLU H 2 87 LYS QB 0.000 . 6.000 3.023 3.023 3.023 . 0 0 "[ ]" 1
2076 2 69 GLU H 2 87 LYS QG 0.000 . 6.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
2077 2 69 GLU H 2 87 LYS H 0.000 . 5.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
2078 2 69 GLU H 2 88 SER HA 0.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
2079 2 69 GLU H 2 88 SER H 0.000 . 5.000 4.808 4.808 4.808 . 0 0 "[ ]" 1
2080 2 70 THR HA 2 71 LYS H 0.000 . 2.900 2.219 2.219 2.219 . 0 0 "[ ]" 1
2081 2 70 THR HA 2 72 HIS H 0.000 . 3.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
2082 2 70 THR HB 2 71 LYS H 0.000 . 5.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
2083 2 70 THR HB 2 72 HIS H 0.000 . 5.000 5.080 5.080 5.080 0.080 1 0 "[ ]" 1
2084 2 70 THR MG 2 71 LYS H 0.000 . 6.500 2.162 2.162 2.162 . 0 0 "[ ]" 1
2085 2 70 THR MG 2 72 HIS H 0.000 . 6.500 4.254 4.254 4.254 . 0 0 "[ ]" 1
2086 2 70 THR H 2 71 LYS H 0.000 . 5.000 4.289 4.289 4.289 . 0 0 "[ ]" 1
2087 2 70 THR H 2 72 HIS H 0.000 . 5.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
2088 2 71 LYS H 2 71 LYS HA 0.000 . 2.900 2.273 2.273 2.273 . 0 0 "[ ]" 1
2089 2 71 LYS HA 2 72 HIS H 0.000 . 3.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
2090 2 71 LYS HA 2 73 PHE H 0.000 . 5.000 4.239 4.239 4.239 . 0 0 "[ ]" 1
2091 2 71 LYS QB 2 72 HIS H 0.000 . 6.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
2092 2 71 LYS H 2 71 LYS QD 0.000 . 6.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
2093 2 71 LYS QD 2 72 HIS H 0.000 . 6.000 5.860 5.860 5.860 . 0 0 "[ ]" 1
2094 2 71 LYS H 2 71 LYS QE 0.000 . 6.000 5.140 5.140 5.140 . 0 0 "[ ]" 1
2095 2 71 LYS QE 2 72 HIS H 0.000 . 6.000 5.899 5.899 5.899 . 0 0 "[ ]" 1
2096 2 71 LYS QG 2 72 HIS H 0.000 . 6.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
2097 2 71 LYS H 2 72 HIS H 0.000 . 3.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
2098 2 71 LYS H 2 73 PHE H 0.000 . 5.000 4.880 4.880 4.880 . 0 0 "[ ]" 1
2099 2 72 HIS HA 2 73 PHE H 0.000 . 2.900 2.460 2.460 2.460 . 0 0 "[ ]" 1
2100 2 72 HIS HA 2 87 LYS H 0.000 . 5.000 4.715 4.715 4.715 . 0 0 "[ ]" 1
2101 2 72 HIS QB 2 73 PHE H 0.000 . 6.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
2102 2 72 HIS QB 2 87 LYS H 0.000 . 6.000 2.832 2.832 2.832 . 0 0 "[ ]" 1
2103 2 72 HIS H 2 73 PHE HA 0.000 . 5.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
2104 2 72 HIS H 2 73 PHE QD 0.000 . 7.000 5.326 5.326 5.326 . 0 0 "[ ]" 1
2105 2 72 HIS H 2 73 PHE H 0.000 . 5.000 3.039 3.039 3.039 . 0 0 "[ ]" 1
2106 2 72 HIS H 2 87 LYS QB 0.000 . 6.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
2107 2 72 HIS H 2 87 LYS H 0.000 . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
2108 2 73 PHE H 2 73 PHE HA 0.000 . 2.900 2.892 2.892 2.892 . 0 0 "[ ]" 1
2109 2 73 PHE HA 2 74 ILE H 0.000 . 2.900 2.193 2.193 2.193 . 0 0 "[ ]" 1
2110 2 73 PHE HA 2 86 PHE H 0.000 . 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
2111 2 73 PHE HA 2 87 LYS H 0.000 . 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
2112 2 73 PHE QB 2 74 ILE H 0.000 . 6.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
2113 2 73 PHE QD 2 74 ILE H 0.000 . 7.000 1.926 1.926 1.926 . 0 0 "[ ]" 1
2114 2 73 PHE QD 2 75 TYR H 0.000 . 7.000 5.019 5.019 5.019 . 0 0 "[ ]" 1
2115 2 73 PHE QE 2 75 TYR H 0.000 . 7.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
2116 2 73 PHE H 2 74 ILE H 0.000 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
2117 2 73 PHE H 2 86 PHE HA 0.000 . 5.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
2118 2 74 ILE HA 2 75 TYR H 0.000 . 2.900 2.196 2.196 2.196 . 0 0 "[ ]" 1
2119 2 74 ILE HB 2 75 TYR H 0.000 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
2120 2 74 ILE MD 2 75 TYR H 0.000 . 6.500 3.896 3.896 3.896 . 0 0 "[ ]" 1
2121 2 74 ILE H 2 74 ILE MG 0.000 . 4.400 2.303 2.303 2.303 . 0 0 "[ ]" 1
2122 2 74 ILE MG 2 75 TYR H 0.000 . 6.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
2123 2 74 ILE MG 2 76 PHE H 0.000 . 6.500 4.986 4.986 4.986 . 0 0 "[ ]" 1
2124 2 74 ILE MG 2 85 LEU H 0.000 . 5.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
2125 2 74 ILE H 2 75 TYR HA 0.000 . 5.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
2126 2 74 ILE H 2 75 TYR H 0.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
2127 2 74 ILE H 2 84 LEU MD1 0.000 . 6.500 3.596 3.596 3.596 . 0 0 "[ ]" 1
2128 2 74 ILE H 2 85 LEU QB 0.000 . 6.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
2129 2 74 ILE H 2 85 LEU MD2 0.000 . 6.500 4.914 4.914 4.914 . 0 0 "[ ]" 1
2130 2 74 ILE H 2 85 LEU HG 0.000 . 5.000 4.431 4.431 4.431 . 0 0 "[ ]" 1
2131 2 74 ILE H 2 85 LEU H 0.000 . 3.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
2132 2 74 ILE H 2 86 PHE HA 0.000 . 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
2133 2 74 ILE H 2 86 PHE QB 0.000 . 6.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
2134 2 74 ILE H 2 86 PHE QD 0.000 . 7.000 4.055 4.055 4.055 . 0 0 "[ ]" 1
2135 2 75 TYR HA 2 76 PHE H 0.000 . 2.900 2.179 2.179 2.179 . 0 0 "[ ]" 1
2136 2 75 TYR HA 2 83 ILE H 0.000 . 5.000 4.846 4.846 4.846 . 0 0 "[ ]" 1
2137 2 75 TYR HA 2 85 LEU H 0.000 . 5.000 3.237 3.237 3.237 . 0 0 "[ ]" 1
2138 2 75 TYR QB 2 76 PHE H 0.000 . 4.500 3.755 3.755 3.755 . 0 0 "[ ]" 1
2139 2 75 TYR QB 2 85 LEU H 0.000 . 6.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
2140 2 75 TYR QD 2 76 PHE H 0.000 . 5.500 1.801 1.801 1.801 . 0 0 "[ ]" 1
2141 2 75 TYR QD 2 83 ILE H 0.000 . 7.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
2142 2 75 TYR QD 2 84 LEU H 0.000 . 7.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
2143 2 75 TYR QD 2 85 LEU H 0.000 . 7.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
2144 2 75 TYR QE 2 76 PHE H 0.000 . 7.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
2145 2 75 TYR QE 2 83 ILE H 0.000 . 7.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
2146 2 75 TYR QE 2 85 LEU H 0.000 . 7.000 5.786 5.786 5.786 . 0 0 "[ ]" 1
2147 2 75 TYR H 2 76 PHE HA 0.000 . 5.000 4.805 4.805 4.805 . 0 0 "[ ]" 1
2148 2 75 TYR H 2 76 PHE QB 0.000 . 6.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
2149 2 75 TYR H 2 76 PHE QD 0.000 . 7.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
2150 2 75 TYR H 2 76 PHE H 0.000 . 5.000 4.155 4.155 4.155 . 0 0 "[ ]" 1
2151 2 76 PHE HA 2 77 TYR H 0.000 . 3.500 2.148 2.148 2.148 . 0 0 "[ ]" 1
2152 2 76 PHE QB 2 77 TYR H 0.000 . 4.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
2153 2 76 PHE QB 2 83 ILE H 0.000 . 6.000 4.984 4.984 4.984 . 0 0 "[ ]" 1
2154 2 76 PHE H 2 76 PHE QD 0.000 . 5.500 2.179 2.179 2.179 . 0 0 "[ ]" 1
2155 2 76 PHE QD 2 77 TYR H 0.000 . 7.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
2156 2 76 PHE QD 2 83 ILE H 0.000 . 7.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
2157 2 76 PHE H 2 76 PHE QE 0.000 . 5.500 4.014 4.014 4.014 . 0 0 "[ ]" 1
2158 2 76 PHE QE 2 83 ILE H 0.000 . 7.000 4.955 4.955 4.955 . 0 0 "[ ]" 1
2159 2 76 PHE QE 2 85 LEU H 0.000 . 7.000 5.306 5.306 5.306 . 0 0 "[ ]" 1
2160 2 76 PHE H 2 77 TYR H 0.000 . 5.000 4.305 4.305 4.305 . 0 0 "[ ]" 1
2161 2 76 PHE H 2 82 ALA HA 0.000 . 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 1
2162 2 76 PHE H 2 82 ALA MB 0.000 . 6.500 4.540 4.540 4.540 . 0 0 "[ ]" 1
2163 2 76 PHE H 2 83 ILE HA 0.000 . 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 1
2164 2 76 PHE H 2 83 ILE HB 0.000 . 5.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
2165 2 76 PHE H 2 83 ILE MG 0.000 . 6.500 4.395 4.395 4.395 . 0 0 "[ ]" 1
2166 2 76 PHE H 2 83 ILE H 0.000 . 3.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
2167 2 76 PHE H 2 84 LEU HA 0.000 . 5.000 3.549 3.549 3.549 . 0 0 "[ ]" 1
2168 2 76 PHE H 2 84 LEU QB 0.000 . 6.000 4.743 4.743 4.743 . 0 0 "[ ]" 1
2169 2 76 PHE H 2 84 LEU MD2 0.000 . 6.500 6.258 6.258 6.258 . 0 0 "[ ]" 1
2170 2 76 PHE H 2 85 LEU H 0.000 . 5.000 5.063 5.063 5.063 0.063 1 0 "[ ]" 1
2171 2 77 TYR HA 2 78 LEU H 0.000 . 2.900 2.143 2.143 2.143 . 0 0 "[ ]" 1
2172 2 77 TYR HA 2 81 VAL H 0.000 . 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 1
2173 2 77 TYR HA 2 82 ALA H 0.000 . 5.000 4.729 4.729 4.729 . 0 0 "[ ]" 1
2174 2 77 TYR HA 2 83 ILE H 0.000 . 3.500 3.146 3.146 3.146 . 0 0 "[ ]" 1
2175 2 77 TYR QB 2 78 LEU H 0.000 . 4.500 3.774 3.774 3.774 . 0 0 "[ ]" 1
2176 2 77 TYR QB 2 79 GLY H 0.000 . 6.000 5.274 5.274 5.274 . 0 0 "[ ]" 1
2177 2 77 TYR QB 2 81 VAL H 0.000 . 6.000 5.488 5.488 5.488 . 0 0 "[ ]" 1
2178 2 77 TYR QD 2 78 LEU H 0.000 . 7.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
2179 2 77 TYR QD 2 81 VAL H 0.000 . 7.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
2180 2 77 TYR QD 2 83 ILE H 0.000 . 7.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
2181 2 77 TYR H 2 77 TYR QE 0.000 . 7.000 6.233 6.233 6.233 . 0 0 "[ ]" 1
2182 2 77 TYR H 2 78 LEU H 0.000 . 5.000 4.436 4.436 4.436 . 0 0 "[ ]" 1
2183 2 78 LEU HA 2 79 GLY H 0.000 . 2.900 2.135 2.135 2.135 . 0 0 "[ ]" 1
2184 2 78 LEU H 2 78 LEU QB 0.000 . 3.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
2185 2 78 LEU QB 2 79 GLY H 0.000 . 4.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
2186 2 78 LEU QB 2 81 VAL H 0.000 . 6.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
2187 2 78 LEU MD1 2 79 GLY H 0.000 . 5.000 2.342 2.342 2.342 . 0 0 "[ ]" 1
2188 2 78 LEU H 2 78 LEU HG 0.000 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
2189 2 78 LEU HG 2 79 GLY H 0.000 . 5.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
2190 2 78 LEU H 2 79 GLY H 0.000 . 5.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
2191 2 78 LEU H 2 81 VAL MG1 0.000 . 5.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
2192 2 78 LEU H 2 81 VAL H 0.000 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
2193 2 78 LEU H 2 82 ALA HA 0.000 . 3.500 2.498 2.498 2.498 . 0 0 "[ ]" 1
2194 2 78 LEU H 2 83 ILE MD 0.000 . 6.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
2195 2 78 LEU H 2 83 ILE H 0.000 . 5.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
2196 2 79 GLY QA 2 80 GLN H 0.000 . 6.000 2.125 2.125 2.125 . 0 0 "[ ]" 1
2197 2 79 GLY QA 2 81 VAL H 0.000 . 6.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
2198 2 79 GLY H 2 80 GLN H 0.000 . 5.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
2199 2 79 GLY H 2 81 VAL H 0.000 . 5.000 4.493 4.493 4.493 . 0 0 "[ ]" 1
2200 2 80 GLN HA 2 81 VAL H 0.000 . 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 1
2201 2 80 GLN QB 2 81 VAL H 0.000 . 3.900 3.880 3.880 3.880 . 0 0 "[ ]" 1
2202 2 80 GLN QG 2 81 VAL H 0.000 . 4.500 4.521 4.521 4.521 0.021 1 0 "[ ]" 1
2203 2 80 GLN H 2 81 VAL H 0.000 . 3.500 3.168 3.168 3.168 . 0 0 "[ ]" 1
2204 2 81 VAL H 2 81 VAL HA 0.000 . 2.900 2.840 2.840 2.840 . 0 0 "[ ]" 1
2205 2 81 VAL HA 2 82 ALA H 0.000 . 2.900 2.287 2.287 2.287 . 0 0 "[ ]" 1
2206 2 81 VAL H 2 81 VAL HB 0.000 . 3.500 3.543 3.543 3.543 0.043 1 0 "[ ]" 1
2207 2 81 VAL HB 2 82 ALA H 0.000 . 3.500 3.664 3.664 3.664 0.164 1 0 "[ ]" 1
2208 2 81 VAL H 2 81 VAL MG1 0.000 . 4.400 2.610 2.610 2.610 . 0 0 "[ ]" 1
2209 2 81 VAL MG1 2 82 ALA H 0.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
2210 2 81 VAL MG2 2 82 ALA H 0.000 . 5.000 1.840 1.840 1.840 . 0 0 "[ ]" 1
2211 2 81 VAL H 2 82 ALA H 0.000 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
2212 2 82 ALA HA 2 83 ILE H 0.000 . 2.900 2.262 2.262 2.262 . 0 0 "[ ]" 1
2213 2 82 ALA MB 2 83 ILE H 0.000 . 4.400 2.797 2.797 2.797 . 0 0 "[ ]" 1
2214 2 82 ALA H 2 83 ILE H 0.000 . 5.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
2215 2 83 ILE HA 2 84 LEU H 0.000 . 2.900 2.132 2.132 2.132 . 0 0 "[ ]" 1
2216 2 83 ILE H 2 83 ILE HB 0.000 . 3.500 2.738 2.738 2.738 . 0 0 "[ ]" 1
2217 2 83 ILE HB 2 84 LEU H 0.000 . 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
2218 2 83 ILE H 2 83 ILE MD 0.000 . 5.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
2219 2 83 ILE MG 2 84 LEU H 0.000 . 5.000 2.898 2.898 2.898 . 0 0 "[ ]" 1
2220 2 83 ILE MG 2 85 LEU H 0.000 . 6.500 4.663 4.663 4.663 . 0 0 "[ ]" 1
2221 2 83 ILE H 2 84 LEU H 0.000 . 5.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
2222 2 84 LEU HA 2 85 LEU H 0.000 . 2.900 2.204 2.204 2.204 . 0 0 "[ ]" 1
2223 2 84 LEU QB 2 85 LEU H 0.000 . 6.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
2224 2 84 LEU MD1 2 85 LEU H 0.000 . 5.000 1.981 1.981 1.981 . 0 0 "[ ]" 1
2225 2 84 LEU H 2 84 LEU HG 0.000 . 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
2226 2 84 LEU HG 2 85 LEU H 0.000 . 5.000 2.816 2.816 2.816 . 0 0 "[ ]" 1
2227 2 84 LEU H 2 85 LEU H 0.000 . 5.000 4.524 4.524 4.524 . 0 0 "[ ]" 1
2228 2 85 LEU HA 2 86 PHE H 0.000 . 2.900 2.209 2.209 2.209 . 0 0 "[ ]" 1
2229 2 85 LEU QB 2 86 PHE H 0.000 . 6.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
2230 2 85 LEU MD1 2 86 PHE H 0.000 . 5.000 1.993 1.993 1.993 . 0 0 "[ ]" 1
2231 2 85 LEU MD2 2 86 PHE H 0.000 . 6.500 4.234 4.234 4.234 . 0 0 "[ ]" 1
2232 2 85 LEU H 2 85 LEU HG 0.000 . 5.000 4.514 4.514 4.514 . 0 0 "[ ]" 1
2233 2 85 LEU HG 2 86 PHE H 0.000 . 5.000 2.793 2.793 2.793 . 0 0 "[ ]" 1
2234 2 85 LEU H 2 86 PHE QD 0.000 . 7.000 3.592 3.592 3.592 . 0 0 "[ ]" 1
2235 2 85 LEU H 2 86 PHE H 0.000 . 5.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
2236 2 86 PHE H 2 86 PHE HA 0.000 . 2.900 2.801 2.801 2.801 . 0 0 "[ ]" 1
2237 2 86 PHE HA 2 87 LYS H 0.000 . 3.500 2.234 2.234 2.234 . 0 0 "[ ]" 1
2238 2 86 PHE QB 2 87 LYS H 0.000 . 6.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
2239 2 86 PHE QD 2 87 LYS H 0.000 . 7.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
2240 2 86 PHE QD 2 88 SER H 0.000 . 7.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
2241 2 86 PHE H 2 86 PHE QE 0.000 . 7.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
2242 2 86 PHE QE 2 87 LYS H 0.000 . 7.000 5.831 5.831 5.831 . 0 0 "[ ]" 1
2243 2 86 PHE H 2 87 LYS H 0.000 . 5.000 4.174 4.174 4.174 . 0 0 "[ ]" 1
2244 2 87 LYS HA 2 88 SER H 0.000 . 2.900 2.162 2.162 2.162 . 0 0 "[ ]" 1
2245 2 87 LYS QB 2 88 SER H 0.000 . 6.000 3.036 3.036 3.036 . 0 0 "[ ]" 1
2246 2 87 LYS H 2 87 LYS QD 0.000 . 6.000 3.964 3.964 3.964 . 0 0 "[ ]" 1
2247 2 87 LYS QD 2 88 SER H 0.000 . 6.000 5.496 5.496 5.496 . 0 0 "[ ]" 1
2248 2 87 LYS QD 2 89 GLY H 0.000 . 6.000 5.704 5.704 5.704 . 0 0 "[ ]" 1
2249 2 87 LYS QG 2 88 SER H 0.000 . 6.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
2250 2 87 LYS QG 2 89 GLY H 0.000 . 6.000 5.103 5.103 5.103 . 0 0 "[ ]" 1
2251 2 87 LYS H 2 88 SER H 0.000 . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 1
2252 2 88 SER H 2 88 SER HA 0.000 . 2.900 2.891 2.891 2.891 . 0 0 "[ ]" 1
2253 2 88 SER HA 2 89 GLY H 0.000 . 2.900 2.712 2.712 2.712 . 0 0 "[ ]" 1
2254 2 88 SER H 2 89 GLY H 0.000 . 5.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
2255 1 1 MET HA 1 1 MET ME 0.000 . 4.200 1.818 1.818 1.818 . 0 0 "[ ]" 1
2256 1 1 MET QG 1 2 CYS QB 0.000 . 7.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
2257 1 3 ASP QB 1 80 GLN QG 0.000 . 4.700 4.229 4.229 4.229 . 0 0 "[ ]" 1
2258 1 4 ARG HA 1 4 ARG QD 0.000 . 4.500 1.965 1.965 1.965 . 0 0 "[ ]" 1
2259 1 4 ARG HA 1 4 ARG QG 0.000 . 3.700 2.883 2.883 2.883 . 0 0 "[ ]" 1
2260 1 4 ARG HA 1 78 LEU MD1 0.000 . 5.000 2.884 2.884 2.884 . 0 0 "[ ]" 1
2261 1 4 ARG HA 1 78 LEU MD2 0.000 . 5.000 4.586 4.586 4.586 . 0 0 "[ ]" 1
2262 1 4 ARG QB 1 78 LEU MD2 0.000 . 7.500 4.609 4.609 4.609 . 0 0 "[ ]" 1
2263 1 4 ARG QD 1 22 VAL MG1 0.000 . 7.500 6.505 6.505 6.505 . 0 0 "[ ]" 1
2264 1 4 ARG QD 1 78 LEU MD1 0.000 . 7.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
2265 1 4 ARG QD 1 81 VAL MG1 0.000 . 5.200 4.658 4.658 4.658 . 0 0 "[ ]" 1
2266 1 4 ARG QG 1 6 ALA HA 0.000 . 6.000 5.800 5.800 5.800 . 0 0 "[ ]" 1
2267 1 5 LYS HA 1 5 LYS QD 0.000 . 4.500 2.012 2.012 2.012 . 0 0 "[ ]" 1
2268 1 5 LYS HA 1 6 ALA HA 0.000 . 5.000 4.356 4.356 4.356 . 0 0 "[ ]" 1
2269 1 5 LYS HA 1 6 ALA MB 0.000 . 6.500 3.912 3.912 3.912 . 0 0 "[ ]" 1
2270 1 5 LYS HA 1 78 LEU MD1 0.000 . 6.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
2271 1 5 LYS QB 1 78 LEU MD1 0.000 . 7.500 3.966 3.966 3.966 . 0 0 "[ ]" 1
2272 1 5 LYS QG 1 78 LEU MD1 0.000 . 6.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
2273 1 6 ALA HA 1 7 VAL MG2 0.000 . 5.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
2274 1 6 ALA HA 1 78 LEU HA 0.000 . 2.700 2.168 2.168 2.168 . 0 0 "[ ]" 1
2275 1 6 ALA HA 1 78 LEU QB 0.000 . 6.000 2.998 2.998 2.998 . 0 0 "[ ]" 1
2276 1 6 ALA HA 1 78 LEU MD1 0.000 . 4.200 2.161 2.161 2.161 . 0 0 "[ ]" 1
2277 1 6 ALA HA 1 78 LEU MD2 0.000 . 4.200 4.203 4.203 4.203 0.003 1 0 "[ ]" 1
2278 1 6 ALA HA 1 78 LEU HG 0.000 . 5.000 4.701 4.701 4.701 . 0 0 "[ ]" 1
2279 1 6 ALA MB 1 7 VAL HA 0.000 . 6.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
2280 1 6 ALA MB 1 8 ILE MD 0.000 . 5.700 2.541 2.541 2.541 . 0 0 "[ ]" 1
2281 1 6 ALA MB 1 22 VAL MG1 0.000 . 5.700 2.332 2.332 2.332 . 0 0 "[ ]" 1
2282 1 6 ALA MB 1 22 VAL MG2 0.000 . 5.700 3.484 3.484 3.484 . 0 0 "[ ]" 1
2283 1 6 ALA MB 1 78 LEU HA 0.000 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
2284 1 6 ALA MB 1 78 LEU MD1 0.000 . 5.700 2.477 2.477 2.477 . 0 0 "[ ]" 1
2285 1 6 ALA MB 1 78 LEU MD2 0.000 . 5.700 3.670 3.670 3.670 . 0 0 "[ ]" 1
2286 1 7 VAL HA 1 8 ILE MD 0.000 . 6.500 3.271 3.271 3.271 . 0 0 "[ ]" 1
2287 1 7 VAL HB 1 77 TYR QB 0.000 . 4.500 1.911 1.911 1.911 . 0 0 "[ ]" 1
2288 1 7 VAL MG1 1 9 LYS QD 0.000 . 5.200 2.529 2.529 2.529 . 0 0 "[ ]" 1
2289 1 7 VAL MG1 1 9 LYS QE 0.000 . 6.000 2.179 2.179 2.179 . 0 0 "[ ]" 1
2290 1 7 VAL MG1 1 9 LYS QG 0.000 . 6.000 3.170 3.170 3.170 . 0 0 "[ ]" 1
2291 1 7 VAL MG1 1 77 TYR QB 0.000 . 5.200 3.099 3.099 3.099 . 0 0 "[ ]" 1
2292 1 7 VAL MG2 1 77 TYR QB 0.000 . 6.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
2293 1 8 ILE HA 1 76 PHE HA 0.000 . 2.700 2.663 2.663 2.663 . 0 0 "[ ]" 1
2294 1 8 ILE HA 1 76 PHE QB 0.000 . 4.500 1.817 1.817 1.817 . 0 0 "[ ]" 1
2295 1 8 ILE MD 1 22 VAL MG2 0.000 . 5.700 2.483 2.483 2.483 . 0 0 "[ ]" 1
2296 1 8 ILE MD 1 76 PHE HA 0.000 . 6.500 4.484 4.484 4.484 . 0 0 "[ ]" 1
2297 1 8 ILE MD 1 76 PHE QB 0.000 . 6.500 2.478 2.478 2.478 . 0 0 "[ ]" 1
2298 1 8 ILE MG 1 10 ASN HA 0.000 . 6.500 3.925 3.925 3.925 . 0 0 "[ ]" 1
2299 1 8 ILE MG 1 11 ALA HA 0.000 . 6.500 4.389 4.389 4.389 . 0 0 "[ ]" 1
2300 1 8 ILE MG 1 11 ALA MB 0.000 . 5.700 2.537 2.537 2.537 . 0 0 "[ ]" 1
2301 1 8 ILE MG 1 76 PHE HA 0.000 . 5.000 4.283 4.283 4.283 . 0 0 "[ ]" 1
2302 1 8 ILE MG 1 76 PHE QB 0.000 . 7.500 3.087 3.087 3.087 . 0 0 "[ ]" 1
2303 1 9 LYS HA 1 9 LYS QD 0.000 . 3.700 3.236 3.236 3.236 . 0 0 "[ ]" 1
2304 1 9 LYS HA 1 9 LYS QE 0.000 . 6.000 1.657 1.657 1.657 . 0 0 "[ ]" 1
2305 1 10 ASN HA 1 11 ALA MB 0.000 . 6.500 3.866 3.866 3.866 . 0 0 "[ ]" 1
2306 1 11 ALA HA 1 74 ILE HA 0.000 . 3.500 1.964 1.964 1.964 . 0 0 "[ ]" 1
2307 1 13 MET HA 1 13 MET ME 0.000 . 5.000 4.178 4.178 4.178 . 0 0 "[ ]" 1
2308 1 13 MET HA 1 71 LYS HA 0.000 . 3.500 2.334 2.334 2.334 . 0 0 "[ ]" 1
2309 1 13 MET HA 1 71 LYS QD 0.000 . 6.000 5.312 5.312 5.312 . 0 0 "[ ]" 1
2310 1 13 MET HA 1 71 LYS QG 0.000 . 6.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
2311 1 13 MET ME 1 17 MET ME 0.000 . 5.700 3.629 3.629 3.629 . 0 0 "[ ]" 1
2312 1 13 MET ME 1 72 HIS HA 0.000 . 4.200 2.052 2.052 2.052 . 0 0 "[ ]" 1
2313 1 13 MET ME 1 73 PHE HA 0.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
2314 1 13 MET ME 1 74 ILE MD 0.000 . 6.500 4.134 4.134 4.134 . 0 0 "[ ]" 1
2315 1 13 MET ME 1 74 ILE MG 0.000 . 5.700 3.000 3.000 3.000 . 0 0 "[ ]" 1
2316 1 13 MET ME 1 85 LEU MD2 0.000 . 6.500 3.107 3.107 3.107 . 0 0 "[ ]" 1
2317 1 13 MET ME 1 87 LYS QD 0.000 . 7.500 4.319 4.319 4.319 . 0 0 "[ ]" 1
2318 1 13 MET QG 1 73 PHE HA 0.000 . 6.000 5.002 5.002 5.002 . 0 0 "[ ]" 1
2319 1 15 GLU HA 1 15 GLU QG 0.000 . 3.700 3.342 3.342 3.342 . 0 0 "[ ]" 1
2320 1 16 GLU HA 1 16 GLU QG 0.000 . 3.700 2.471 2.471 2.471 . 0 0 "[ ]" 1
2321 1 16 GLU HA 1 19 GLN QB 0.000 . 4.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
2322 1 16 GLU HA 1 19 GLN QG 0.000 . 4.500 3.404 3.404 3.404 . 0 0 "[ ]" 1
2323 1 17 MET HA 1 17 MET ME 0.000 . 5.000 3.679 3.679 3.679 . 0 0 "[ ]" 1
2324 1 17 MET HA 1 20 ASP QB 0.000 . 4.500 2.520 2.520 2.520 . 0 0 "[ ]" 1
2325 1 17 MET QB 1 20 ASP QB 0.000 . 7.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
2326 1 17 MET ME 1 72 HIS HA 0.000 . 6.500 4.924 4.924 4.924 . 0 0 "[ ]" 1
2327 1 17 MET ME 1 85 LEU MD2 0.000 . 8.000 6.294 6.294 6.294 . 0 0 "[ ]" 1
2328 1 18 GLN HA 1 74 ILE MD 0.000 . 5.000 1.953 1.953 1.953 . 0 0 "[ ]" 1
2329 1 18 GLN QB 1 74 ILE MD 0.000 . 6.000 1.791 1.791 1.791 . 0 0 "[ ]" 1
2330 1 18 GLN QB 1 74 ILE MG 0.000 . 6.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
2331 1 18 GLN QG 1 74 ILE MD 0.000 . 7.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
2332 1 19 GLN HA 1 19 GLN QG 0.000 . 3.700 2.877 2.877 2.877 . 0 0 "[ ]" 1
2333 1 19 GLN HA 1 22 VAL HB 0.000 . 2.700 2.736 2.736 2.736 0.036 1 0 "[ ]" 1
2334 1 19 GLN HA 1 22 VAL MG1 0.000 . 5.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
2335 1 19 GLN HA 1 22 VAL MG2 0.000 . 5.000 2.076 2.076 2.076 . 0 0 "[ ]" 1
2336 1 20 ASP HA 1 23 GLU QB 0.000 . 4.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
2337 1 21 SER HA 1 24 CYS QB 0.000 . 4.500 2.002 2.002 2.002 . 0 0 "[ ]" 1
2338 1 21 SER HA 1 85 LEU MD2 0.000 . 6.500 3.183 3.183 3.183 . 0 0 "[ ]" 1
2339 1 21 SER QB 1 22 VAL MG2 0.000 . 7.500 3.357 3.357 3.357 . 0 0 "[ ]" 1
2340 1 21 SER QB 1 74 ILE MD 0.000 . 7.500 2.224 2.224 2.224 . 0 0 "[ ]" 1
2341 1 21 SER QB 1 74 ILE MG 0.000 . 7.500 2.605 2.605 2.605 . 0 0 "[ ]" 1
2342 1 21 SER QB 1 85 LEU MD2 0.000 . 7.500 2.143 2.143 2.143 . 0 0 "[ ]" 1
2343 1 22 VAL HA 1 25 ALA MB 0.000 . 5.000 2.972 2.972 2.972 . 0 0 "[ ]" 1
2344 1 22 VAL HA 1 78 LEU MD1 0.000 . 6.500 5.541 5.541 5.541 . 0 0 "[ ]" 1
2345 1 22 VAL HA 1 78 LEU MD2 0.000 . 6.500 4.435 4.435 4.435 . 0 0 "[ ]" 1
2346 1 22 VAL HB 1 74 ILE MD 0.000 . 5.000 4.909 4.909 4.909 . 0 0 "[ ]" 1
2347 1 22 VAL MG1 1 23 GLU HA 0.000 . 5.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
2348 1 22 VAL MG1 1 25 ALA MB 0.000 . 6.500 4.000 4.000 4.000 . 0 0 "[ ]" 1
2349 1 22 VAL MG1 1 26 THR MG 0.000 . 5.700 4.394 4.394 4.394 . 0 0 "[ ]" 1
2350 1 60 ARG QD 1 81 VAL MG2 0.000 . 7.500 6.680 6.680 6.680 . 0 0 "[ ]" 1
2351 1 22 VAL MG1 1 78 LEU MD2 0.000 . 5.700 3.857 3.857 3.857 . 0 0 "[ ]" 1
2352 1 22 VAL MG2 1 25 ALA MB 0.000 . 8.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
2353 1 22 VAL MG2 1 74 ILE MD 0.000 . 6.500 2.699 2.699 2.699 . 0 0 "[ ]" 1
2354 1 22 VAL MG2 1 78 LEU MD1 0.000 . 6.500 5.574 5.574 5.574 . 0 0 "[ ]" 1
2355 1 22 VAL MG2 1 78 LEU MD2 0.000 . 5.700 5.333 5.333 5.333 . 0 0 "[ ]" 1
2356 1 23 GLU HA 1 23 GLU QG 0.000 . 3.700 2.456 2.456 2.456 . 0 0 "[ ]" 1
2357 1 23 GLU HA 1 26 THR HB 0.000 . 2.700 2.437 2.437 2.437 . 0 0 "[ ]" 1
2358 1 23 GLU HA 1 26 THR MG 0.000 . 5.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
2359 1 24 CYS HA 1 27 GLN QB 0.000 . 4.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
2360 1 24 CYS HA 1 27 GLN QG 0.000 . 6.000 3.794 3.794 3.794 . 0 0 "[ ]" 1
2361 1 24 CYS QB 1 42 ILE MD 0.000 . 7.500 3.578 3.578 3.578 . 0 0 "[ ]" 1
2362 1 24 CYS QB 1 42 ILE MG 0.000 . 7.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
2363 1 25 ALA HA 1 28 ALA MB 0.000 . 5.000 2.155 2.155 2.155 . 0 0 "[ ]" 1
2364 1 25 ALA HA 1 42 ILE MD 0.000 . 4.200 1.866 1.866 1.866 . 0 0 "[ ]" 1
2365 1 25 ALA HA 1 42 ILE MG 0.000 . 6.500 3.934 3.934 3.934 . 0 0 "[ ]" 1
2366 1 25 ALA HA 1 83 ILE MD 0.000 . 6.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
2367 1 25 ALA MB 1 42 ILE MD 0.000 . 5.700 2.309 2.309 2.309 . 0 0 "[ ]" 1
2368 1 25 ALA MB 1 42 ILE MG 0.000 . 6.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
2369 1 25 ALA MB 1 78 LEU MD1 0.000 . 5.700 4.525 4.525 4.525 . 0 0 "[ ]" 1
2370 1 25 ALA MB 1 78 LEU MD2 0.000 . 5.700 2.504 2.504 2.504 . 0 0 "[ ]" 1
2371 1 25 ALA MB 1 83 ILE MD 0.000 . 5.700 1.763 1.763 1.763 . 0 0 "[ ]" 1
2372 1 25 ALA MB 1 83 ILE MG 0.000 . 6.500 1.832 1.832 1.832 . 0 0 "[ ]" 1
2373 1 26 THR HA 1 29 LEU QB 0.000 . 6.000 3.097 3.097 3.097 . 0 0 "[ ]" 1
2374 1 26 THR HA 1 78 LEU MD1 0.000 . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
2375 1 26 THR HA 1 78 LEU MD2 0.000 . 4.200 1.868 1.868 1.868 . 0 0 "[ ]" 1
2376 1 26 THR MG 1 27 GLN HA 0.000 . 5.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
2377 1 26 THR MG 1 27 GLN QG 0.000 . 7.500 3.644 3.644 3.644 . 0 0 "[ ]" 1
2378 1 26 THR MG 1 78 LEU MD1 0.000 . 5.700 3.264 3.264 3.264 . 0 0 "[ ]" 1
2379 1 26 THR MG 1 78 LEU MD2 0.000 . 5.700 2.730 2.730 2.730 . 0 0 "[ ]" 1
2380 1 27 GLN HA 1 27 GLN QG 0.000 . 3.700 2.927 2.927 2.927 . 0 0 "[ ]" 1
2381 1 27 GLN HA 1 30 GLU QB 0.000 . 4.500 3.837 3.837 3.837 . 0 0 "[ ]" 1
2382 1 27 GLN HA 1 30 GLU QG 0.000 . 4.500 1.869 1.869 1.869 . 0 0 "[ ]" 1
2383 1 28 ALA HA 1 31 LYS QB 0.000 . 4.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
2384 1 28 ALA HA 1 31 LYS QD 0.000 . 4.500 2.664 2.664 2.664 . 0 0 "[ ]" 1
2385 1 28 ALA HA 1 38 ILE MG 0.000 . 6.500 4.085 4.085 4.085 . 0 0 "[ ]" 1
2386 1 28 ALA MB 1 38 ILE HA 0.000 . 4.200 2.499 2.499 2.499 . 0 0 "[ ]" 1
2387 1 28 ALA MB 1 38 ILE MG 0.000 . 5.700 1.870 1.870 1.870 . 0 0 "[ ]" 1
2388 1 28 ALA MB 1 41 HIS QB 0.000 . 6.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
2389 1 28 ALA MB 1 42 ILE MD 0.000 . 5.700 2.390 2.390 2.390 . 0 0 "[ ]" 1
2390 1 28 ALA MB 1 42 ILE MG 0.000 . 6.500 4.082 4.082 4.082 . 0 0 "[ ]" 1
2391 1 28 ALA MB 1 83 ILE MD 0.000 . 8.000 4.207 4.207 4.207 . 0 0 "[ ]" 1
2392 1 28 ALA MB 1 83 ILE MG 0.000 . 5.700 4.518 4.518 4.518 . 0 0 "[ ]" 1
2393 1 29 LEU HA 1 29 LEU HG 0.000 . 3.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
2394 1 29 LEU HA 1 38 ILE MD 0.000 . 5.000 1.775 1.775 1.775 . 0 0 "[ ]" 1
2395 1 29 LEU HA 1 38 ILE MG 0.000 . 5.000 3.225 3.225 3.225 . 0 0 "[ ]" 1
2396 1 29 LEU MD1 1 38 ILE MD 0.000 . 5.700 4.283 4.283 4.283 . 0 0 "[ ]" 1
2397 1 29 LEU HG 1 38 ILE MD 0.000 . 5.000 3.303 3.303 3.303 . 0 0 "[ ]" 1
2398 1 29 LEU HG 1 38 ILE MG 0.000 . 5.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
2399 1 30 GLU HA 1 30 GLU QG 0.000 . 3.700 3.446 3.446 3.446 . 0 0 "[ ]" 1
2400 1 31 LYS HA 1 31 LYS QD 0.000 . 4.500 3.996 3.996 3.996 . 0 0 "[ ]" 1
2401 1 31 LYS HA 1 31 LYS QE 0.000 . 6.000 4.959 4.959 4.959 . 0 0 "[ ]" 1
2402 1 31 LYS HA 1 31 LYS QG 0.000 . 3.700 2.378 2.378 2.378 . 0 0 "[ ]" 1
2403 1 46 PHE HA 1 49 LYS QB 0.000 . 6.000 3.149 3.149 3.149 . 0 0 "[ ]" 1
2404 1 33 ASN HA 1 38 ILE MD 0.000 . 5.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
2405 1 32 TYR QB 1 34 ILE MG 0.000 . 6.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
2406 1 34 ILE HA 1 34 ILE MD 0.000 . 4.200 1.906 1.906 1.906 . 0 0 "[ ]" 1
2407 1 34 ILE MD 1 36 LYS QE 0.000 . 6.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
2408 1 34 ILE MD 1 60 ARG QG 0.000 . 6.000 6.054 6.054 6.054 0.054 1 0 "[ ]" 1
2409 1 34 ILE MG 1 36 LYS QD 0.000 . 5.200 3.864 3.864 3.864 . 0 0 "[ ]" 1
2410 1 34 ILE MG 1 36 LYS QE 0.000 . 5.200 2.600 2.600 2.600 . 0 0 "[ ]" 1
2411 1 34 ILE MG 1 36 LYS QG 0.000 . 5.200 3.732 3.732 3.732 . 0 0 "[ ]" 1
2412 1 35 GLU HA 1 38 ILE HB 0.000 . 5.000 2.501 2.501 2.501 . 0 0 "[ ]" 1
2413 1 35 GLU HA 1 38 ILE MD 0.000 . 5.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
2414 1 35 GLU HA 1 38 ILE MG 0.000 . 6.500 3.559 3.559 3.559 . 0 0 "[ ]" 1
2415 1 35 GLU QB 1 58 VAL MG1 0.000 . 6.000 1.864 1.864 1.864 . 0 0 "[ ]" 1
2416 1 35 GLU QG 1 58 VAL MG1 0.000 . 7.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
2417 1 36 LYS HA 1 39 ALA MB 0.000 . 5.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
2418 1 37 ASP HA 1 40 ALA MB 0.000 . 4.200 2.392 2.392 2.392 . 0 0 "[ ]" 1
2419 1 39 ALA HA 1 42 ILE HB 0.000 . 5.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
2420 1 39 ALA HA 1 42 ILE MD 0.000 . 5.000 3.167 3.167 3.167 . 0 0 "[ ]" 1
2421 1 39 ALA HA 1 42 ILE MG 0.000 . 6.500 4.182 4.182 4.182 . 0 0 "[ ]" 1
2422 1 39 ALA HA 1 58 VAL MG2 0.000 . 4.200 3.007 3.007 3.007 . 0 0 "[ ]" 1
2423 1 39 ALA MB 1 56 CYS QB 0.000 . 6.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
2424 1 39 ALA MB 1 58 VAL HB 0.000 . 6.500 3.419 3.419 3.419 . 0 0 "[ ]" 1
2425 1 39 ALA MB 1 58 VAL MG1 0.000 . 6.500 4.532 4.532 4.532 . 0 0 "[ ]" 1
2426 1 39 ALA MB 1 58 VAL MG2 0.000 . 5.700 2.432 2.432 2.432 . 0 0 "[ ]" 1
2427 1 39 ALA MB 2 64 SER HA 0.000 . 5.000 1.926 1.926 1.926 . 0 0 "[ ]" 1
2428 1 39 ALA MB 2 65 TYR QB 0.000 . 7.500 2.633 2.633 2.633 . 0 0 "[ ]" 1
2429 1 40 ALA HA 2 65 TYR QB 0.000 . 6.000 1.911 1.911 1.911 . 0 0 "[ ]" 1
2430 1 40 ALA MB 1 44 LYS QE 0.000 . 6.000 5.494 5.494 5.494 . 0 0 "[ ]" 1
2431 1 40 ALA MB 1 44 LYS QG 0.000 . 6.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
2432 1 40 ALA MB 2 65 TYR HA 0.000 . 6.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
2433 1 40 ALA MB 2 65 TYR QB 0.000 . 7.500 2.584 2.584 2.584 . 0 0 "[ ]" 1
2434 1 41 HIS HA 1 44 LYS QB 0.000 . 6.000 4.036 4.036 4.036 . 0 0 "[ ]" 1
2435 1 42 ILE MD 1 83 ILE MD 0.000 . 5.700 3.239 3.239 3.239 . 0 0 "[ ]" 1
2436 1 42 ILE MD 1 83 ILE MG 0.000 . 5.700 2.435 2.435 2.435 . 0 0 "[ ]" 1
2437 1 42 ILE MD 1 85 LEU MD2 0.000 . 6.500 4.061 4.061 4.061 . 0 0 "[ ]" 1
2438 1 42 ILE MG 1 56 CYS QB 0.000 . 7.500 3.102 3.102 3.102 . 0 0 "[ ]" 1
2439 1 42 ILE MG 1 83 ILE MD 0.000 . 8.000 5.248 5.248 5.248 . 0 0 "[ ]" 1
2440 1 42 ILE MG 1 83 ILE MG 0.000 . 8.000 3.692 3.692 3.692 . 0 0 "[ ]" 1
2441 1 42 ILE MG 1 85 LEU MD2 0.000 . 5.700 2.465 2.465 2.465 . 0 0 "[ ]" 1
2442 1 43 LYS HA 1 46 PHE QB 0.000 . 6.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
2443 1 47 ASP HA 1 52 PRO HA 0.000 . 5.000 2.792 2.792 2.792 . 0 0 "[ ]" 1
2444 1 48 LYS HA 1 48 LYS QD 0.000 . 4.500 2.036 2.036 2.036 . 0 0 "[ ]" 1
2445 1 51 ASN HA 1 52 PRO QD 0.000 . 4.500 2.003 2.003 2.003 . 0 0 "[ ]" 1
2446 1 51 ASN HA 1 52 PRO QG 0.000 . 6.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
2447 1 51 ASN QB 1 52 PRO QD 0.000 . 7.000 2.360 2.360 2.360 . 0 0 "[ ]" 1
2448 1 52 PRO HA 1 53 THR HA 0.000 . 3.500 1.731 1.731 1.731 . 0 0 "[ ]" 1
2449 1 52 PRO HA 1 53 THR HB 0.000 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
2450 1 52 PRO HA 1 53 THR MG 0.000 . 5.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
2451 1 52 PRO QB 1 53 THR HA 0.000 . 6.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
2452 1 52 PRO QB 1 53 THR HB 0.000 . 6.000 3.830 3.830 3.830 . 0 0 "[ ]" 1
2453 1 52 PRO QB 1 53 THR MG 0.000 . 6.000 3.255 3.255 3.255 . 0 0 "[ ]" 1
2454 1 53 THR MG 2 66 VAL HA 0.000 . 6.500 4.648 4.648 4.648 . 0 0 "[ ]" 1
2455 1 53 THR MG 2 67 THR HA 0.000 . 6.500 4.813 4.813 4.813 . 0 0 "[ ]" 1
2456 1 53 THR MG 2 67 THR HB 0.000 . 4.200 2.373 2.373 2.373 . 0 0 "[ ]" 1
2457 1 53 THR MG 2 67 THR MG 0.000 . 5.700 3.072 3.072 3.072 . 0 0 "[ ]" 1
2458 1 54 TRP HA 1 87 LYS HA 0.000 . 3.500 1.866 1.866 1.866 . 0 0 "[ ]" 1
2459 1 55 HIS HA 2 66 VAL HA 0.000 . 3.500 3.136 3.136 3.136 . 0 0 "[ ]" 1
2460 1 55 HIS HA 2 66 VAL MG1 0.000 . 6.500 2.976 2.976 2.976 . 0 0 "[ ]" 1
2461 1 55 HIS QB 2 66 VAL HA 0.000 . 6.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
2462 1 55 HIS QB 2 66 VAL MG1 0.000 . 6.000 2.341 2.341 2.341 . 0 0 "[ ]" 1
2463 1 56 CYS HA 1 57 ILE MD 0.000 . 6.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
2464 1 56 CYS HA 1 85 LEU HA 0.000 . 5.000 2.486 2.486 2.486 . 0 0 "[ ]" 1
2465 1 56 CYS HA 1 85 LEU MD1 0.000 . 6.500 2.963 2.963 2.963 . 0 0 "[ ]" 1
2466 1 56 CYS HA 1 85 LEU MD2 0.000 . 6.500 5.235 5.235 5.235 . 0 0 "[ ]" 1
2467 1 56 CYS QB 1 85 LEU MD1 0.000 . 7.500 2.095 2.095 2.095 . 0 0 "[ ]" 1
2468 1 57 ILE HA 2 64 SER HA 0.000 . 3.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
2469 1 57 ILE MD 2 64 SER HA 0.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
2470 1 57 ILE MD 2 64 SER QB 0.000 . 6.000 3.148 3.148 3.148 . 0 0 "[ ]" 1
2471 1 57 ILE MD 2 66 VAL MG1 0.000 . 5.700 3.107 3.107 3.107 . 0 0 "[ ]" 1
2472 1 57 ILE MD 2 66 VAL MG2 0.000 . 8.000 5.147 5.147 5.147 . 0 0 "[ ]" 1
2473 1 57 ILE MD 1 84 LEU MD2 0.000 . 5.700 1.905 1.905 1.905 . 0 0 "[ ]" 1
2474 1 57 ILE MG 2 62 PHE HA 0.000 . 6.500 4.616 4.616 4.616 . 0 0 "[ ]" 1
2475 1 57 ILE MG 2 62 PHE QB 0.000 . 6.000 2.821 2.821 2.821 . 0 0 "[ ]" 1
2476 1 57 ILE MG 2 64 SER HA 0.000 . 6.500 3.402 3.402 3.402 . 0 0 "[ ]" 1
2477 1 57 ILE MG 2 64 SER QB 0.000 . 7.500 1.808 1.808 1.808 . 0 0 "[ ]" 1
2478 1 57 ILE MG 1 84 LEU MD2 0.000 . 6.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
2479 1 58 VAL HA 1 83 ILE HA 0.000 . 5.000 2.444 2.444 2.444 . 0 0 "[ ]" 1
2480 1 58 VAL HA 1 83 ILE MD 0.000 . 6.500 4.868 4.868 4.868 . 0 0 "[ ]" 1
2481 1 58 VAL HA 1 83 ILE MG 0.000 . 6.500 3.962 3.962 3.962 . 0 0 "[ ]" 1
2482 1 58 VAL MG1 1 83 ILE MD 0.000 . 6.500 3.000 3.000 3.000 . 0 0 "[ ]" 1
2483 1 58 VAL MG2 1 83 ILE HA 0.000 . 5.000 2.074 2.074 2.074 . 0 0 "[ ]" 1
2484 1 58 VAL MG2 1 83 ILE MD 0.000 . 5.700 3.059 3.059 3.059 . 0 0 "[ ]" 1
2485 1 58 VAL MG2 1 83 ILE MG 0.000 . 5.700 1.908 1.908 1.908 . 0 0 "[ ]" 1
2486 1 59 GLY QA 2 62 PHE HA 0.000 . 4.500 2.065 2.065 2.065 . 0 0 "[ ]" 1
2487 1 60 ARG HA 1 81 VAL HA 0.000 . 5.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
2488 1 60 ARG HA 1 82 ALA MB 0.000 . 6.500 4.451 4.451 4.451 . 0 0 "[ ]" 1
2489 1 60 ARG QB 1 81 VAL HA 0.000 . 6.000 4.723 4.723 4.723 . 0 0 "[ ]" 1
2490 1 60 ARG QD 1 81 VAL MG1 0.000 . 7.500 4.538 4.538 4.538 . 0 0 "[ ]" 1
2491 1 60 ARG QG 1 81 VAL HA 0.000 . 6.000 4.177 4.177 4.177 . 0 0 "[ ]" 1
2492 1 66 VAL MG2 1 67 THR HA 0.000 . 6.500 4.037 4.037 4.037 . 0 0 "[ ]" 1
2493 1 68 HIS HA 1 88 SER HA 0.000 . 3.500 2.439 2.439 2.439 . 0 0 "[ ]" 1
2494 1 69 GLU HA 1 70 THR HA 0.000 . 5.000 4.631 4.631 4.631 . 0 0 "[ ]" 1
2495 1 69 GLU HA 1 70 THR MG 0.000 . 6.500 5.659 5.659 5.659 . 0 0 "[ ]" 1
2496 1 69 GLU QG 1 70 THR MG 0.000 . 7.500 6.450 6.450 6.450 . 0 0 "[ ]" 1
2497 1 69 GLU QG 1 88 SER HA 0.000 . 6.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
2498 1 70 THR HA 1 70 THR MG 0.000 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
2499 1 70 THR HA 1 71 LYS QG 0.000 . 6.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
2500 1 70 THR HB 1 71 LYS QG 0.000 . 4.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
2501 1 70 THR MG 1 71 LYS QG 0.000 . 5.200 1.884 1.884 1.884 . 0 0 "[ ]" 1
2502 1 74 ILE MG 1 85 LEU MD1 0.000 . 8.000 4.018 4.018 4.018 . 0 0 "[ ]" 1
2503 1 74 ILE MG 1 85 LEU MD2 0.000 . 5.700 2.584 2.584 2.584 . 0 0 "[ ]" 1
2504 1 75 TYR HA 1 84 LEU HA 0.000 . 5.000 2.394 2.394 2.394 . 0 0 "[ ]" 1
2505 1 77 TYR HA 1 82 ALA HA 0.000 . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
2506 1 77 TYR HA 1 82 ALA MB 0.000 . 5.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
2507 1 77 TYR HA 1 83 ILE MD 0.000 . 6.500 4.610 4.610 4.610 . 0 0 "[ ]" 1
2508 1 78 LEU HA 1 78 LEU MD1 0.000 . 4.200 2.151 2.151 2.151 . 0 0 "[ ]" 1
2509 1 78 LEU HA 1 78 LEU MD2 0.000 . 4.200 3.831 3.831 3.831 . 0 0 "[ ]" 1
2510 1 78 LEU HA 1 78 LEU HG 0.000 . 3.500 3.288 3.288 3.288 . 0 0 "[ ]" 1
2511 1 78 LEU QB 1 81 VAL HB 0.000 . 6.000 5.325 5.325 5.325 . 0 0 "[ ]" 1
2512 1 78 LEU QB 1 81 VAL MG2 0.000 . 7.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
2513 1 78 LEU QB 1 83 ILE MD 0.000 . 5.200 1.884 1.884 1.884 . 0 0 "[ ]" 1
2514 1 78 LEU MD1 1 81 VAL MG1 0.000 . 5.700 5.751 5.751 5.751 0.051 1 0 "[ ]" 1
2515 1 78 LEU MD1 1 83 ILE MD 0.000 . 5.700 4.069 4.069 4.069 . 0 0 "[ ]" 1
2516 1 78 LEU MD2 1 79 GLY QA 0.000 . 7.500 4.684 4.684 4.684 . 0 0 "[ ]" 1
2517 1 78 LEU MD2 1 83 ILE MD 0.000 . 5.700 2.410 2.410 2.410 . 0 0 "[ ]" 1
2518 1 78 LEU MD2 1 83 ILE MG 0.000 . 6.500 4.241 4.241 4.241 . 0 0 "[ ]" 1
2519 1 78 LEU HG 1 83 ILE MD 0.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
2520 1 79 GLY QA 1 80 GLN QG 0.000 . 5.500 3.095 3.095 3.095 . 0 0 "[ ]" 1
2521 1 80 GLN HA 1 80 GLN QG 0.000 . 3.700 2.481 2.481 2.481 . 0 0 "[ ]" 1
2522 1 81 VAL HA 1 82 ALA MB 0.000 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
2523 1 81 VAL HB 1 83 ILE MD 0.000 . 6.500 4.519 4.519 4.519 . 0 0 "[ ]" 1
2524 1 81 VAL MG1 1 83 ILE MD 0.000 . 5.700 4.687 4.687 4.687 . 0 0 "[ ]" 1
2525 1 81 VAL MG2 1 83 ILE MD 0.000 . 5.700 2.447 2.447 2.447 . 0 0 "[ ]" 1
2526 1 81 VAL MG2 1 83 ILE MG 0.000 . 5.700 4.566 4.566 4.566 . 0 0 "[ ]" 1
2527 1 82 ALA MB 1 83 ILE HA 0.000 . 6.500 3.890 3.890 3.890 . 0 0 "[ ]" 1
2528 1 83 ILE MG 1 85 LEU MD2 0.000 . 8.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
2529 1 85 LEU HA 1 85 LEU MD1 0.000 . 4.200 2.200 2.200 2.200 . 0 0 "[ ]" 1
2530 1 11 ALA HA 1 74 ILE QG 0.000 . 6.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
2531 1 57 ILE QG 1 84 LEU MD2 0.000 . 7.500 3.116 3.116 3.116 . 0 0 "[ ]" 1
2532 1 58 VAL MG1 1 83 ILE QG 0.000 . 7.500 1.922 1.922 1.922 . 0 0 "[ ]" 1
2533 1 58 VAL MG2 1 83 ILE QG 0.000 . 7.500 2.248 2.248 2.248 . 0 0 "[ ]" 1
2534 1 78 LEU MD2 1 83 ILE QG 0.000 . 7.500 4.194 4.194 4.194 . 0 0 "[ ]" 1
2535 1 81 VAL MG2 1 83 ILE QG 0.000 . 7.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
2536 2 1 MET HA 2 1 MET ME 0.000 . 4.200 3.706 3.706 3.706 . 0 0 "[ ]" 1
2537 2 1 MET QG 2 2 CYS QB 0.000 . 7.000 5.451 5.451 5.451 . 0 0 "[ ]" 1
2538 2 3 ASP QB 2 80 GLN QG 0.000 . 4.700 3.334 3.334 3.334 . 0 0 "[ ]" 1
2539 2 4 ARG HA 2 4 ARG QD 0.000 . 4.500 4.243 4.243 4.243 . 0 0 "[ ]" 1
2540 2 4 ARG HA 2 4 ARG QG 0.000 . 3.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
2541 2 4 ARG HA 2 78 LEU MD1 0.000 . 5.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
2542 2 4 ARG HA 2 78 LEU MD2 0.000 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
2543 2 4 ARG QB 2 78 LEU MD2 0.000 . 7.500 4.298 4.298 4.298 . 0 0 "[ ]" 1
2544 2 4 ARG QD 2 22 VAL MG1 0.000 . 7.500 5.587 5.587 5.587 . 0 0 "[ ]" 1
2545 2 4 ARG QD 2 78 LEU MD1 0.000 . 7.500 2.701 2.701 2.701 . 0 0 "[ ]" 1
2546 2 4 ARG QD 2 81 VAL MG1 0.000 . 5.200 5.209 5.209 5.209 0.009 1 0 "[ ]" 1
2547 2 4 ARG QG 2 6 ALA HA 0.000 . 6.000 5.012 5.012 5.012 . 0 0 "[ ]" 1
2548 2 5 LYS HA 2 5 LYS QD 0.000 . 4.500 1.961 1.961 1.961 . 0 0 "[ ]" 1
2549 2 5 LYS HA 2 6 ALA HA 0.000 . 5.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
2550 2 5 LYS HA 2 6 ALA MB 0.000 . 6.500 3.988 3.988 3.988 . 0 0 "[ ]" 1
2551 2 5 LYS HA 2 78 LEU MD1 0.000 . 6.500 2.907 2.907 2.907 . 0 0 "[ ]" 1
2552 2 5 LYS QB 2 78 LEU MD1 0.000 . 7.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
2553 2 5 LYS QG 2 78 LEU MD1 0.000 . 5.200 4.485 4.485 4.485 . 0 0 "[ ]" 1
2554 2 6 ALA HA 2 7 VAL MG2 0.000 . 5.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
2555 2 6 ALA HA 2 78 LEU HA 0.000 . 2.700 2.528 2.528 2.528 . 0 0 "[ ]" 1
2556 2 6 ALA HA 2 78 LEU QB 0.000 . 6.000 3.227 3.227 3.227 . 0 0 "[ ]" 1
2557 2 6 ALA HA 2 78 LEU MD1 0.000 . 4.200 2.119 2.119 2.119 . 0 0 "[ ]" 1
2558 2 6 ALA HA 2 78 LEU MD2 0.000 . 4.200 4.214 4.214 4.214 0.014 1 0 "[ ]" 1
2559 2 6 ALA HA 2 78 LEU HG 0.000 . 5.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
2560 2 6 ALA MB 2 7 VAL HA 0.000 . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
2561 2 6 ALA MB 2 8 ILE MD 0.000 . 5.700 4.181 4.181 4.181 . 0 0 "[ ]" 1
2562 2 6 ALA MB 2 22 VAL MG1 0.000 . 5.700 2.805 2.805 2.805 . 0 0 "[ ]" 1
2563 2 6 ALA MB 2 22 VAL MG2 0.000 . 5.700 3.515 3.515 3.515 . 0 0 "[ ]" 1
2564 2 6 ALA MB 2 78 LEU HA 0.000 . 5.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
2565 2 6 ALA MB 2 78 LEU MD1 0.000 . 5.700 2.647 2.647 2.647 . 0 0 "[ ]" 1
2566 2 6 ALA MB 2 78 LEU MD2 0.000 . 5.700 3.883 3.883 3.883 . 0 0 "[ ]" 1
2567 2 7 VAL HA 2 8 ILE MD 0.000 . 6.500 5.417 5.417 5.417 . 0 0 "[ ]" 1
2568 2 7 VAL HB 2 77 TYR QB 0.000 . 4.500 1.913 1.913 1.913 . 0 0 "[ ]" 1
2569 2 7 VAL MG1 2 9 LYS QD 0.000 . 5.200 4.885 4.885 4.885 . 0 0 "[ ]" 1
2570 2 7 VAL MG1 2 9 LYS QE 0.000 . 6.000 3.717 3.717 3.717 . 0 0 "[ ]" 1
2571 2 7 VAL MG1 2 9 LYS QG 0.000 . 6.000 5.772 5.772 5.772 . 0 0 "[ ]" 1
2572 2 7 VAL MG1 2 77 TYR QB 0.000 . 5.200 2.961 2.961 2.961 . 0 0 "[ ]" 1
2573 2 7 VAL MG2 2 77 TYR QB 0.000 . 6.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
2574 2 8 ILE HA 2 76 PHE HA 0.000 . 2.700 2.063 2.063 2.063 . 0 0 "[ ]" 1
2575 2 8 ILE HA 2 76 PHE QB 0.000 . 4.500 1.832 1.832 1.832 . 0 0 "[ ]" 1
2576 2 8 ILE MD 2 22 VAL MG2 0.000 . 5.700 2.991 2.991 2.991 . 0 0 "[ ]" 1
2577 2 8 ILE MD 2 76 PHE HA 0.000 . 6.500 5.325 5.325 5.325 . 0 0 "[ ]" 1
2578 2 8 ILE MD 2 76 PHE QB 0.000 . 6.500 3.516 3.516 3.516 . 0 0 "[ ]" 1
2579 2 8 ILE MG 2 10 ASN HA 0.000 . 6.500 2.999 2.999 2.999 . 0 0 "[ ]" 1
2580 2 8 ILE MG 2 11 ALA HA 0.000 . 6.500 4.371 4.371 4.371 . 0 0 "[ ]" 1
2581 2 8 ILE MG 2 11 ALA MB 0.000 . 5.700 2.435 2.435 2.435 . 0 0 "[ ]" 1
2582 2 8 ILE MG 2 76 PHE HA 0.000 . 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
2583 2 8 ILE MG 2 76 PHE QB 0.000 . 7.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
2584 2 9 LYS HA 2 9 LYS QD 0.000 . 3.700 2.072 2.072 2.072 . 0 0 "[ ]" 1
2585 2 9 LYS HA 2 9 LYS QE 0.000 . 6.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
2586 2 10 ASN HA 2 11 ALA MB 0.000 . 6.500 3.835 3.835 3.835 . 0 0 "[ ]" 1
2587 2 11 ALA HA 2 74 ILE HA 0.000 . 3.500 1.827 1.827 1.827 . 0 0 "[ ]" 1
2588 2 13 MET HA 2 13 MET ME 0.000 . 5.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
2589 2 13 MET HA 2 71 LYS HA 0.000 . 3.500 2.504 2.504 2.504 . 0 0 "[ ]" 1
2590 2 13 MET HA 2 71 LYS QD 0.000 . 6.000 5.392 5.392 5.392 . 0 0 "[ ]" 1
2591 2 13 MET HA 2 71 LYS QG 0.000 . 6.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
2592 2 13 MET ME 2 17 MET ME 0.000 . 5.700 3.530 3.530 3.530 . 0 0 "[ ]" 1
2593 2 13 MET ME 2 72 HIS HA 0.000 . 4.200 1.951 1.951 1.951 . 0 0 "[ ]" 1
2594 2 13 MET ME 2 73 PHE HA 0.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
2595 2 13 MET ME 2 74 ILE MD 0.000 . 6.500 4.217 4.217 4.217 . 0 0 "[ ]" 1
2596 2 13 MET ME 2 74 ILE MG 0.000 . 5.700 2.999 2.999 2.999 . 0 0 "[ ]" 1
2597 2 13 MET ME 2 85 LEU MD2 0.000 . 6.500 3.230 3.230 3.230 . 0 0 "[ ]" 1
2598 2 13 MET ME 2 87 LYS QD 0.000 . 7.500 4.460 4.460 4.460 . 0 0 "[ ]" 1
2599 2 13 MET QG 2 73 PHE HA 0.000 . 6.000 4.921 4.921 4.921 . 0 0 "[ ]" 1
2600 2 15 GLU HA 2 15 GLU QG 0.000 . 3.700 3.504 3.504 3.504 . 0 0 "[ ]" 1
2601 2 16 GLU HA 2 16 GLU QG 0.000 . 3.700 2.433 2.433 2.433 . 0 0 "[ ]" 1
2602 2 16 GLU HA 2 19 GLN QB 0.000 . 4.500 2.427 2.427 2.427 . 0 0 "[ ]" 1
2603 2 16 GLU HA 2 19 GLN QG 0.000 . 4.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
2604 2 17 MET HA 2 17 MET ME 0.000 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
2605 2 17 MET HA 2 20 ASP QB 0.000 . 4.500 2.539 2.539 2.539 . 0 0 "[ ]" 1
2606 2 17 MET QB 2 20 ASP QB 0.000 . 7.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
2607 2 17 MET ME 2 72 HIS HA 0.000 . 6.500 4.838 4.838 4.838 . 0 0 "[ ]" 1
2608 2 17 MET ME 2 85 LEU MD2 0.000 . 8.000 6.255 6.255 6.255 . 0 0 "[ ]" 1
2609 2 18 GLN HA 2 74 ILE MD 0.000 . 5.000 1.896 1.896 1.896 . 0 0 "[ ]" 1
2610 2 18 GLN QB 2 74 ILE MD 0.000 . 6.000 1.781 1.781 1.781 . 0 0 "[ ]" 1
2611 2 18 GLN QB 2 74 ILE MG 0.000 . 6.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
2612 2 18 GLN QG 2 74 ILE MD 0.000 . 7.500 3.431 3.431 3.431 . 0 0 "[ ]" 1
2613 2 19 GLN HA 2 19 GLN QG 0.000 . 3.700 2.464 2.464 2.464 . 0 0 "[ ]" 1
2614 2 19 GLN HA 2 22 VAL HB 0.000 . 2.700 2.751 2.751 2.751 0.051 1 0 "[ ]" 1
2615 2 19 GLN HA 2 22 VAL MG1 0.000 . 5.000 4.029 4.029 4.029 . 0 0 "[ ]" 1
2616 2 19 GLN HA 2 22 VAL MG2 0.000 . 5.000 2.141 2.141 2.141 . 0 0 "[ ]" 1
2617 2 20 ASP HA 2 23 GLU QB 0.000 . 4.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
2618 2 21 SER HA 2 24 CYS QB 0.000 . 4.500 2.003 2.003 2.003 . 0 0 "[ ]" 1
2619 2 21 SER HA 2 85 LEU MD2 0.000 . 6.500 3.467 3.467 3.467 . 0 0 "[ ]" 1
2620 2 21 SER QB 2 22 VAL MG2 0.000 . 7.500 3.302 3.302 3.302 . 0 0 "[ ]" 1
2621 2 21 SER QB 2 74 ILE MD 0.000 . 7.500 2.120 2.120 2.120 . 0 0 "[ ]" 1
2622 2 21 SER QB 2 74 ILE MG 0.000 . 7.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
2623 2 21 SER QB 2 85 LEU MD2 0.000 . 7.500 2.767 2.767 2.767 . 0 0 "[ ]" 1
2624 2 22 VAL HA 2 25 ALA MB 0.000 . 5.000 2.801 2.801 2.801 . 0 0 "[ ]" 1
2625 2 22 VAL HA 2 78 LEU MD1 0.000 . 6.500 5.581 5.581 5.581 . 0 0 "[ ]" 1
2626 2 22 VAL HA 2 78 LEU MD2 0.000 . 6.500 4.425 4.425 4.425 . 0 0 "[ ]" 1
2627 2 22 VAL HB 2 74 ILE MD 0.000 . 5.000 4.925 4.925 4.925 . 0 0 "[ ]" 1
2628 2 22 VAL MG1 2 23 GLU HA 0.000 . 5.000 3.388 3.388 3.388 . 0 0 "[ ]" 1
2629 2 22 VAL MG1 2 25 ALA MB 0.000 . 6.500 3.954 3.954 3.954 . 0 0 "[ ]" 1
2630 2 22 VAL MG1 2 26 THR MG 0.000 . 5.700 4.457 4.457 4.457 . 0 0 "[ ]" 1
2631 2 60 ARG QD 2 81 VAL MG2 0.000 . 7.500 5.113 5.113 5.113 . 0 0 "[ ]" 1
2632 2 22 VAL MG1 2 78 LEU MD2 0.000 . 5.700 3.641 3.641 3.641 . 0 0 "[ ]" 1
2633 2 22 VAL MG2 2 25 ALA MB 0.000 . 8.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
2634 2 22 VAL MG2 2 74 ILE MD 0.000 . 6.500 2.791 2.791 2.791 . 0 0 "[ ]" 1
2635 2 22 VAL MG2 2 78 LEU MD1 0.000 . 6.500 5.338 5.338 5.338 . 0 0 "[ ]" 1
2636 2 22 VAL MG2 2 78 LEU MD2 0.000 . 5.700 5.098 5.098 5.098 . 0 0 "[ ]" 1
2637 2 23 GLU HA 2 23 GLU QG 0.000 . 3.700 2.460 2.460 2.460 . 0 0 "[ ]" 1
2638 2 23 GLU HA 2 26 THR HB 0.000 . 2.700 2.445 2.445 2.445 . 0 0 "[ ]" 1
2639 2 23 GLU HA 2 26 THR MG 0.000 . 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
2640 2 24 CYS HA 2 27 GLN QB 0.000 . 4.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
2641 2 24 CYS HA 2 27 GLN QG 0.000 . 6.000 3.819 3.819 3.819 . 0 0 "[ ]" 1
2642 2 24 CYS QB 2 42 ILE MD 0.000 . 7.500 3.396 3.396 3.396 . 0 0 "[ ]" 1
2643 2 24 CYS QB 2 42 ILE MG 0.000 . 7.500 2.843 2.843 2.843 . 0 0 "[ ]" 1
2644 2 25 ALA HA 2 28 ALA MB 0.000 . 5.000 2.062 2.062 2.062 . 0 0 "[ ]" 1
2645 2 25 ALA HA 2 42 ILE MD 0.000 . 4.200 1.968 1.968 1.968 . 0 0 "[ ]" 1
2646 2 25 ALA HA 2 42 ILE MG 0.000 . 6.500 4.104 4.104 4.104 . 0 0 "[ ]" 1
2647 2 25 ALA HA 2 83 ILE MD 0.000 . 6.500 4.930 4.930 4.930 . 0 0 "[ ]" 1
2648 2 25 ALA MB 2 42 ILE MD 0.000 . 5.700 2.273 2.273 2.273 . 0 0 "[ ]" 1
2649 2 25 ALA MB 2 42 ILE MG 0.000 . 6.500 3.776 3.776 3.776 . 0 0 "[ ]" 1
2650 2 25 ALA MB 2 78 LEU MD1 0.000 . 5.700 4.741 4.741 4.741 . 0 0 "[ ]" 1
2651 2 25 ALA MB 2 78 LEU MD2 0.000 . 5.700 2.722 2.722 2.722 . 0 0 "[ ]" 1
2652 2 25 ALA MB 2 83 ILE MD 0.000 . 5.700 2.863 2.863 2.863 . 0 0 "[ ]" 1
2653 2 25 ALA MB 2 83 ILE MG 0.000 . 6.500 1.943 1.943 1.943 . 0 0 "[ ]" 1
2654 2 26 THR HA 2 29 LEU QB 0.000 . 6.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
2655 2 26 THR HA 2 78 LEU MD1 0.000 . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
2656 2 26 THR HA 2 78 LEU MD2 0.000 . 4.200 2.463 2.463 2.463 . 0 0 "[ ]" 1
2657 2 26 THR MG 2 27 GLN HA 0.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
2658 2 26 THR MG 2 27 GLN QG 0.000 . 7.500 3.589 3.589 3.589 . 0 0 "[ ]" 1
2659 2 26 THR MG 2 78 LEU MD1 0.000 . 5.700 4.091 4.091 4.091 . 0 0 "[ ]" 1
2660 2 26 THR MG 2 78 LEU MD2 0.000 . 5.700 3.248 3.248 3.248 . 0 0 "[ ]" 1
2661 2 27 GLN HA 2 27 GLN QG 0.000 . 3.700 2.960 2.960 2.960 . 0 0 "[ ]" 1
2662 2 27 GLN HA 2 30 GLU QB 0.000 . 4.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
2663 2 27 GLN HA 2 30 GLU QG 0.000 . 4.500 4.421 4.421 4.421 . 0 0 "[ ]" 1
2664 2 28 ALA HA 2 31 LYS QB 0.000 . 4.500 3.116 3.116 3.116 . 0 0 "[ ]" 1
2665 2 28 ALA HA 2 31 LYS QD 0.000 . 4.500 3.290 3.290 3.290 . 0 0 "[ ]" 1
2666 2 28 ALA HA 2 38 ILE MG 0.000 . 6.500 4.290 4.290 4.290 . 0 0 "[ ]" 1
2667 2 28 ALA MB 2 38 ILE HA 0.000 . 4.200 2.514 2.514 2.514 . 0 0 "[ ]" 1
2668 2 28 ALA MB 2 38 ILE MG 0.000 . 5.700 2.145 2.145 2.145 . 0 0 "[ ]" 1
2669 2 28 ALA MB 2 41 HIS QB 0.000 . 6.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
2670 2 28 ALA MB 2 42 ILE MD 0.000 . 5.700 2.462 2.462 2.462 . 0 0 "[ ]" 1
2671 2 28 ALA MB 2 42 ILE MG 0.000 . 6.500 4.141 4.141 4.141 . 0 0 "[ ]" 1
2672 2 28 ALA MB 2 83 ILE MD 0.000 . 8.000 5.390 5.390 5.390 . 0 0 "[ ]" 1
2673 2 28 ALA MB 2 83 ILE MG 0.000 . 5.700 4.211 4.211 4.211 . 0 0 "[ ]" 1
2674 2 29 LEU HA 2 29 LEU HG 0.000 . 3.500 3.122 3.122 3.122 . 0 0 "[ ]" 1
2675 2 29 LEU HA 2 38 ILE MD 0.000 . 5.000 2.750 2.750 2.750 . 0 0 "[ ]" 1
2676 2 29 LEU HA 2 38 ILE MG 0.000 . 5.000 3.246 3.246 3.246 . 0 0 "[ ]" 1
2677 2 29 LEU MD1 2 38 ILE MD 0.000 . 5.700 3.732 3.732 3.732 . 0 0 "[ ]" 1
2678 2 29 LEU HG 2 38 ILE MD 0.000 . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
2679 2 29 LEU HG 2 38 ILE MG 0.000 . 5.000 3.040 3.040 3.040 . 0 0 "[ ]" 1
2680 2 30 GLU HA 2 30 GLU QG 0.000 . 3.700 2.470 2.470 2.470 . 0 0 "[ ]" 1
2681 2 31 LYS HA 2 31 LYS QD 0.000 . 4.500 4.015 4.015 4.015 . 0 0 "[ ]" 1
2682 2 31 LYS HA 2 31 LYS QE 0.000 . 6.000 5.069 5.069 5.069 . 0 0 "[ ]" 1
2683 2 31 LYS HA 2 31 LYS QG 0.000 . 3.700 2.468 2.468 2.468 . 0 0 "[ ]" 1
2684 2 46 PHE HA 2 49 LYS QB 0.000 . 6.000 3.141 3.141 3.141 . 0 0 "[ ]" 1
2685 2 33 ASN HA 2 38 ILE QG 0.000 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
2686 2 32 TYR QB 2 34 ILE MG 0.000 . 6.000 5.041 5.041 5.041 . 0 0 "[ ]" 1
2687 2 34 ILE HA 2 34 ILE MD 0.000 . 4.200 1.907 1.907 1.907 . 0 0 "[ ]" 1
2688 2 34 ILE MD 2 36 LYS QE 0.000 . 6.000 4.096 4.096 4.096 . 0 0 "[ ]" 1
2689 2 34 ILE MD 2 60 ARG QG 0.000 . 6.000 6.058 6.058 6.058 0.058 1 0 "[ ]" 1
2690 2 34 ILE MG 2 36 LYS QD 0.000 . 5.200 2.407 2.407 2.407 . 0 0 "[ ]" 1
2691 2 34 ILE MG 2 36 LYS QE 0.000 . 5.200 2.086 2.086 2.086 . 0 0 "[ ]" 1
2692 2 34 ILE MG 2 36 LYS QG 0.000 . 5.200 1.820 1.820 1.820 . 0 0 "[ ]" 1
2693 2 35 GLU HA 2 38 ILE HB 0.000 . 5.000 2.128 2.128 2.128 . 0 0 "[ ]" 1
2694 2 35 GLU HA 2 38 ILE MD 0.000 . 5.000 2.203 2.203 2.203 . 0 0 "[ ]" 1
2695 2 35 GLU HA 2 38 ILE MG 0.000 . 6.500 3.443 3.443 3.443 . 0 0 "[ ]" 1
2696 2 35 GLU QB 2 58 VAL MG1 0.000 . 6.000 3.336 3.336 3.336 . 0 0 "[ ]" 1
2697 2 35 GLU QG 2 58 VAL MG1 0.000 . 7.500 1.888 1.888 1.888 . 0 0 "[ ]" 1
2698 2 36 LYS HA 2 39 ALA MB 0.000 . 5.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
2699 2 37 ASP HA 2 40 ALA MB 0.000 . 4.200 2.596 2.596 2.596 . 0 0 "[ ]" 1
2700 2 39 ALA HA 2 42 ILE HB 0.000 . 5.000 3.019 3.019 3.019 . 0 0 "[ ]" 1
2701 2 39 ALA HA 2 42 ILE MD 0.000 . 5.000 3.108 3.108 3.108 . 0 0 "[ ]" 1
2702 2 39 ALA HA 2 42 ILE MG 0.000 . 6.500 4.383 4.383 4.383 . 0 0 "[ ]" 1
2703 2 39 ALA HA 2 58 VAL MG2 0.000 . 4.200 2.453 2.453 2.453 . 0 0 "[ ]" 1
2704 2 39 ALA MB 2 56 CYS QB 0.000 . 6.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
2705 2 39 ALA MB 2 58 VAL HB 0.000 . 6.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
2706 2 39 ALA MB 2 58 VAL MG1 0.000 . 6.500 4.198 4.198 4.198 . 0 0 "[ ]" 1
2707 2 39 ALA MB 2 58 VAL MG2 0.000 . 5.700 2.144 2.144 2.144 . 0 0 "[ ]" 1
2708 1 64 SER HA 2 39 ALA MB 0.000 . 5.000 1.929 1.929 1.929 . 0 0 "[ ]" 1
2709 1 65 TYR QB 2 39 ALA MB 0.000 . 7.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
2710 1 65 TYR QB 2 40 ALA HA 0.000 . 6.000 1.823 1.823 1.823 . 0 0 "[ ]" 1
2711 2 40 ALA MB 2 44 LYS QE 0.000 . 6.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
2712 2 40 ALA MB 2 44 LYS QG 0.000 . 6.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
2713 1 65 TYR HA 2 40 ALA MB 0.000 . 6.500 3.978 3.978 3.978 . 0 0 "[ ]" 1
2714 1 65 TYR QB 2 40 ALA MB 0.000 . 7.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
2715 2 41 HIS HA 2 44 LYS QB 0.000 . 6.000 3.229 3.229 3.229 . 0 0 "[ ]" 1
2716 2 42 ILE MD 2 83 ILE MD 0.000 . 5.700 4.463 4.463 4.463 . 0 0 "[ ]" 1
2717 2 42 ILE MD 2 83 ILE MG 0.000 . 5.700 2.003 2.003 2.003 . 0 0 "[ ]" 1
2718 2 42 ILE MD 2 85 LEU MD2 0.000 . 6.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
2719 2 42 ILE MG 2 56 CYS QB 0.000 . 7.500 3.243 3.243 3.243 . 0 0 "[ ]" 1
2720 2 42 ILE MG 2 83 ILE MD 0.000 . 8.000 6.320 6.320 6.320 . 0 0 "[ ]" 1
2721 2 42 ILE MG 2 83 ILE MG 0.000 . 8.000 3.306 3.306 3.306 . 0 0 "[ ]" 1
2722 2 42 ILE MG 2 85 LEU MD2 0.000 . 5.700 2.269 2.269 2.269 . 0 0 "[ ]" 1
2723 2 43 LYS HA 2 46 PHE QB 0.000 . 6.000 2.983 2.983 2.983 . 0 0 "[ ]" 1
2724 2 47 ASP HA 2 52 PRO HA 0.000 . 5.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
2725 2 48 LYS HA 2 48 LYS QD 0.000 . 4.500 4.207 4.207 4.207 . 0 0 "[ ]" 1
2726 2 51 ASN HA 2 52 PRO QD 0.000 . 4.500 2.029 2.029 2.029 . 0 0 "[ ]" 1
2727 2 51 ASN HA 2 52 PRO QG 0.000 . 6.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
2728 2 51 ASN QB 2 52 PRO QD 0.000 . 7.000 2.396 2.396 2.396 . 0 0 "[ ]" 1
2729 2 52 PRO HA 2 53 THR HA 0.000 . 3.500 1.756 1.756 1.756 . 0 0 "[ ]" 1
2730 2 52 PRO HA 2 53 THR HB 0.000 . 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
2731 2 52 PRO HA 2 53 THR MG 0.000 . 5.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
2732 2 52 PRO QB 2 53 THR HA 0.000 . 6.000 2.380 2.380 2.380 . 0 0 "[ ]" 1
2733 2 52 PRO QB 2 53 THR HB 0.000 . 6.000 3.775 3.775 3.775 . 0 0 "[ ]" 1
2734 2 52 PRO QB 2 53 THR MG 0.000 . 6.000 3.210 3.210 3.210 . 0 0 "[ ]" 1
2735 1 66 VAL HA 2 53 THR MG 0.000 . 6.500 4.850 4.850 4.850 . 0 0 "[ ]" 1
2736 1 67 THR HA 2 53 THR MG 0.000 . 6.500 5.420 5.420 5.420 . 0 0 "[ ]" 1
2737 1 67 THR HB 2 53 THR MG 0.000 . 4.200 2.982 2.982 2.982 . 0 0 "[ ]" 1
2738 1 67 THR MG 2 53 THR MG 0.000 . 5.700 3.718 3.718 3.718 . 0 0 "[ ]" 1
2739 2 54 TRP HA 2 87 LYS HA 0.000 . 3.500 1.892 1.892 1.892 . 0 0 "[ ]" 1
2740 1 66 VAL HA 2 55 HIS HA 0.000 . 3.500 3.329 3.329 3.329 . 0 0 "[ ]" 1
2741 1 66 VAL MG1 2 55 HIS HA 0.000 . 6.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
2742 1 66 VAL HA 2 55 HIS QB 0.000 . 6.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
2743 1 66 VAL MG1 2 55 HIS QB 0.000 . 6.000 2.165 2.165 2.165 . 0 0 "[ ]" 1
2744 2 56 CYS HA 2 57 ILE MD 0.000 . 6.500 4.816 4.816 4.816 . 0 0 "[ ]" 1
2745 2 56 CYS HA 2 85 LEU HA 0.000 . 5.000 2.513 2.513 2.513 . 0 0 "[ ]" 1
2746 2 56 CYS HA 2 85 LEU MD1 0.000 . 6.500 2.965 2.965 2.965 . 0 0 "[ ]" 1
2747 2 56 CYS HA 2 85 LEU MD2 0.000 . 6.500 5.139 5.139 5.139 . 0 0 "[ ]" 1
2748 2 56 CYS QB 2 85 LEU MD1 0.000 . 7.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
2749 1 64 SER HA 2 57 ILE HA 0.000 . 3.500 2.199 2.199 2.199 . 0 0 "[ ]" 1
2750 1 64 SER HA 2 57 ILE MD 0.000 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
2751 1 64 SER QB 2 57 ILE MD 0.000 . 6.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
2752 1 66 VAL MG1 2 57 ILE MD 0.000 . 5.700 3.492 3.492 3.492 . 0 0 "[ ]" 1
2753 1 66 VAL MG2 2 57 ILE MD 0.000 . 8.000 4.816 4.816 4.816 . 0 0 "[ ]" 1
2754 2 57 ILE MD 2 84 LEU MD2 0.000 . 5.700 1.960 1.960 1.960 . 0 0 "[ ]" 1
2755 1 62 PHE HA 2 57 ILE MG 0.000 . 6.500 4.995 4.995 4.995 . 0 0 "[ ]" 1
2756 1 62 PHE QB 2 57 ILE MG 0.000 . 6.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
2757 1 64 SER HA 2 57 ILE MG 0.000 . 6.500 3.397 3.397 3.397 . 0 0 "[ ]" 1
2758 1 64 SER QB 2 57 ILE MG 0.000 . 7.500 1.794 1.794 1.794 . 0 0 "[ ]" 1
2759 2 57 ILE MG 2 84 LEU MD2 0.000 . 6.500 3.679 3.679 3.679 . 0 0 "[ ]" 1
2760 2 58 VAL HA 2 83 ILE HA 0.000 . 5.000 2.546 2.546 2.546 . 0 0 "[ ]" 1
2761 2 58 VAL HA 2 83 ILE MD 0.000 . 6.500 4.115 4.115 4.115 . 0 0 "[ ]" 1
2762 2 58 VAL HA 2 83 ILE MG 0.000 . 6.500 4.120 4.120 4.120 . 0 0 "[ ]" 1
2763 2 58 VAL MG1 2 83 ILE MD 0.000 . 6.500 2.704 2.704 2.704 . 0 0 "[ ]" 1
2764 2 58 VAL MG2 2 83 ILE HA 0.000 . 5.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
2765 2 58 VAL MG2 2 83 ILE MD 0.000 . 5.700 3.722 3.722 3.722 . 0 0 "[ ]" 1
2766 2 58 VAL MG2 2 83 ILE MG 0.000 . 5.700 2.352 2.352 2.352 . 0 0 "[ ]" 1
2767 1 62 PHE HA 2 59 GLY QA 0.000 . 4.500 2.084 2.084 2.084 . 0 0 "[ ]" 1
2768 2 60 ARG HA 2 81 VAL HA 0.000 . 5.000 1.975 1.975 1.975 . 0 0 "[ ]" 1
2769 2 60 ARG HA 2 82 ALA MB 0.000 . 6.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
2770 2 60 ARG QB 2 81 VAL HA 0.000 . 6.000 3.986 3.986 3.986 . 0 0 "[ ]" 1
2771 2 60 ARG QD 2 81 VAL MG1 0.000 . 7.500 5.854 5.854 5.854 . 0 0 "[ ]" 1
2772 2 60 ARG QG 2 81 VAL HA 0.000 . 6.000 3.449 3.449 3.449 . 0 0 "[ ]" 1
2773 2 66 VAL MG2 2 67 THR HA 0.000 . 6.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
2774 2 68 HIS HA 2 88 SER HA 0.000 . 3.500 2.497 2.497 2.497 . 0 0 "[ ]" 1
2775 2 69 GLU HA 2 70 THR HA 0.000 . 5.000 4.632 4.632 4.632 . 0 0 "[ ]" 1
2776 2 69 GLU HA 2 70 THR MG 0.000 . 6.500 5.604 5.604 5.604 . 0 0 "[ ]" 1
2777 2 69 GLU QG 2 70 THR MG 0.000 . 7.500 6.441 6.441 6.441 . 0 0 "[ ]" 1
2778 2 69 GLU QG 2 88 SER HA 0.000 . 6.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
2779 2 70 THR HA 2 71 LYS QG 0.000 . 6.000 4.077 4.077 4.077 . 0 0 "[ ]" 1
2780 2 70 THR HB 2 71 LYS QG 0.000 . 4.500 3.633 3.633 3.633 . 0 0 "[ ]" 1
2781 2 70 THR MG 2 71 LYS QG 0.000 . 5.200 1.896 1.896 1.896 . 0 0 "[ ]" 1
2782 2 74 ILE MG 2 85 LEU MD1 0.000 . 8.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
2783 2 74 ILE MG 2 85 LEU MD2 0.000 . 5.700 2.511 2.511 2.511 . 0 0 "[ ]" 1
2784 2 75 TYR HA 2 84 LEU HA 0.000 . 5.000 2.326 2.326 2.326 . 0 0 "[ ]" 1
2785 2 77 TYR HA 2 82 ALA HA 0.000 . 2.700 1.979 1.979 1.979 . 0 0 "[ ]" 1
2786 2 77 TYR HA 2 82 ALA MB 0.000 . 5.000 2.851 2.851 2.851 . 0 0 "[ ]" 1
2787 2 77 TYR HA 2 83 ILE MD 0.000 . 6.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
2788 2 78 LEU HA 2 78 LEU MD1 0.000 . 4.200 2.133 2.133 2.133 . 0 0 "[ ]" 1
2789 2 78 LEU HA 2 78 LEU MD2 0.000 . 4.200 3.826 3.826 3.826 . 0 0 "[ ]" 1
2790 2 78 LEU HA 2 78 LEU HG 0.000 . 3.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
2791 2 78 LEU QB 2 81 VAL HB 0.000 . 6.000 5.694 5.694 5.694 . 0 0 "[ ]" 1
2792 2 78 LEU QB 2 81 VAL MG2 0.000 . 7.500 4.273 4.273 4.273 . 0 0 "[ ]" 1
2793 2 78 LEU QB 2 83 ILE MD 0.000 . 5.200 1.922 1.922 1.922 . 0 0 "[ ]" 1
2794 2 78 LEU MD1 2 81 VAL MG1 0.000 . 5.700 4.540 4.540 4.540 . 0 0 "[ ]" 1
2795 2 78 LEU MD1 2 83 ILE MD 0.000 . 5.700 4.230 4.230 4.230 . 0 0 "[ ]" 1
2796 2 78 LEU MD2 2 79 GLY QA 0.000 . 7.500 4.791 4.791 4.791 . 0 0 "[ ]" 1
2797 2 78 LEU MD2 2 83 ILE MD 0.000 . 5.700 2.652 2.652 2.652 . 0 0 "[ ]" 1
2798 2 78 LEU MD2 2 83 ILE MG 0.000 . 6.500 4.756 4.756 4.756 . 0 0 "[ ]" 1
2799 2 78 LEU HG 2 83 ILE MD 0.000 . 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
2800 2 79 GLY QA 2 80 GLN QG 0.000 . 5.500 3.514 3.514 3.514 . 0 0 "[ ]" 1
2801 2 80 GLN HA 2 80 GLN QG 0.000 . 3.700 2.444 2.444 2.444 . 0 0 "[ ]" 1
2802 2 81 VAL HA 2 82 ALA MB 0.000 . 5.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
2803 2 81 VAL HB 2 83 ILE MD 0.000 . 6.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
2804 2 81 VAL MG1 2 83 ILE MD 0.000 . 5.700 2.426 2.426 2.426 . 0 0 "[ ]" 1
2805 2 81 VAL MG2 2 83 ILE MD 0.000 . 5.700 2.132 2.132 2.132 . 0 0 "[ ]" 1
2806 2 81 VAL MG2 2 83 ILE MG 0.000 . 5.700 4.885 4.885 4.885 . 0 0 "[ ]" 1
2807 2 82 ALA MB 2 83 ILE HA 0.000 . 6.500 3.967 3.967 3.967 . 0 0 "[ ]" 1
2808 2 83 ILE MG 2 85 LEU MD2 0.000 . 8.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
2809 2 85 LEU HA 2 85 LEU MD1 0.000 . 4.200 2.092 2.092 2.092 . 0 0 "[ ]" 1
2810 2 11 ALA HA 2 74 ILE QG 0.000 . 6.000 3.241 3.241 3.241 . 0 0 "[ ]" 1
2811 2 57 ILE QG 2 84 LEU MD2 0.000 . 7.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
2812 2 58 VAL MG1 2 83 ILE QG 0.000 . 7.500 1.954 1.954 1.954 . 0 0 "[ ]" 1
2813 2 58 VAL MG2 2 83 ILE QG 0.000 . 7.500 2.392 2.392 2.392 . 0 0 "[ ]" 1
2814 2 78 LEU MD2 2 83 ILE QG 0.000 . 7.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
2815 2 81 VAL MG2 2 83 ILE QG 0.000 . 7.500 3.216 3.216 3.216 . 0 0 "[ ]" 1
2816 1 6 ALA HA 1 76 PHE QD 0.000 . 7.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
2817 1 6 ALA MB 1 76 PHE QE 0.000 . 7.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
2818 1 7 VAL HB 1 77 TYR QD 0.000 . 5.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
2819 1 7 VAL HB 1 77 TYR QE 0.000 . 7.000 5.045 5.045 5.045 . 0 0 "[ ]" 1
2820 1 8 ILE HA 1 76 PHE QD 0.000 . 5.500 3.831 3.831 3.831 . 0 0 "[ ]" 1
2821 1 8 ILE QG 1 76 PHE QD 0.000 . 5.700 2.917 2.917 2.917 . 0 0 "[ ]" 1
2822 1 8 ILE MG 1 76 PHE QD 0.000 . 7.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
2823 1 9 LYS QB 1 75 TYR QD 0.000 . 5.700 2.467 2.467 2.467 . 0 0 "[ ]" 1
2824 1 9 LYS QB 1 75 TYR QE 0.000 . 6.500 3.691 3.691 3.691 . 0 0 "[ ]" 1
2825 1 9 LYS QD 1 75 TYR QD 0.000 . 6.500 4.739 4.739 4.739 . 0 0 "[ ]" 1
2826 1 9 LYS QD 1 75 TYR QE 0.000 . 5.700 4.402 4.402 4.402 . 0 0 "[ ]" 1
2827 1 9 LYS QE 1 75 TYR QD 0.000 . 5.700 5.196 5.196 5.196 . 0 0 "[ ]" 1
2828 1 9 LYS QG 1 75 TYR QD 0.000 . 6.500 2.862 2.862 2.862 . 0 0 "[ ]" 1
2829 1 9 LYS QG 1 75 TYR QE 0.000 . 5.700 2.753 2.753 2.753 . 0 0 "[ ]" 1
2830 1 11 ALA HA 1 73 PHE QD 0.000 . 4.700 3.775 3.775 3.775 . 0 0 "[ ]" 1
2831 1 12 ASP QB 1 68 HIS HE1 0.000 . 3.700 3.548 3.548 3.548 . 0 0 "[ ]" 1
2832 1 13 MET HA 1 72 HIS HA 0.000 . 5.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
2833 1 13 MET ME 1 46 PHE HZ 0.000 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
2834 1 13 MET ME 1 54 TRP HE3 0.000 . 6.500 3.904 3.904 3.904 . 0 0 "[ ]" 1
2835 1 13 MET ME 1 54 TRP HH2 0.000 . 4.200 1.870 1.870 1.870 . 0 0 "[ ]" 1
2836 1 13 MET ME 1 54 TRP HZ2 0.000 . 6.500 3.872 3.872 3.872 . 0 0 "[ ]" 1
2837 1 13 MET ME 1 54 TRP HZ3 0.000 . 4.200 1.854 1.854 1.854 . 0 0 "[ ]" 1
2838 1 13 MET ME 1 72 HIS HD2 0.000 . 5.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
2839 1 13 MET ME 1 86 PHE HA 0.000 . 6.500 4.013 4.013 4.013 . 0 0 "[ ]" 1
2840 1 13 MET QG 1 72 HIS HA 0.000 . 4.500 3.981 3.981 3.981 . 0 0 "[ ]" 1
2841 1 17 MET HA 1 50 TYR QE 0.000 . 5.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
2842 1 17 MET QB 1 46 PHE QE 0.000 . 5.700 4.579 4.579 4.579 . 0 0 "[ ]" 1
2843 1 17 MET QB 1 50 TYR QE 0.000 . 6.500 3.630 3.630 3.630 . 0 0 "[ ]" 1
2844 1 17 MET ME 1 46 PHE QD 0.000 . 8.500 5.227 5.227 5.227 . 0 0 "[ ]" 1
2845 1 17 MET ME 1 50 TYR QD 0.000 . 7.000 2.525 2.525 2.525 . 0 0 "[ ]" 1
2846 1 17 MET ME 1 50 TYR QE 0.000 . 7.000 2.292 2.292 2.292 . 0 0 "[ ]" 1
2847 1 17 MET ME 1 54 TRP HH2 0.000 . 4.200 3.852 3.852 3.852 . 0 0 "[ ]" 1
2848 1 17 MET ME 1 54 TRP HZ2 0.000 . 4.200 3.872 3.872 3.872 . 0 0 "[ ]" 1
2849 1 17 MET ME 1 72 HIS HD2 0.000 . 4.200 3.783 3.783 3.783 . 0 0 "[ ]" 1
2850 1 17 MET ME 1 72 HIS HE1 0.000 . 6.500 4.195 4.195 4.195 . 0 0 "[ ]" 1
2851 1 17 MET QG 1 46 PHE HZ 0.000 . 6.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
2852 1 17 MET QG 1 50 TYR QE 0.000 . 8.000 2.780 2.780 2.780 . 0 0 "[ ]" 1
2853 1 17 MET QG 1 54 TRP HH2 0.000 . 3.700 2.665 2.665 2.665 . 0 0 "[ ]" 1
2854 1 17 MET QG 1 54 TRP HZ3 0.000 . 3.700 3.756 3.756 3.756 0.056 1 0 "[ ]" 1
2855 1 20 ASP HA 1 46 PHE HZ 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
2856 1 20 ASP QB 1 46 PHE QE 0.000 . 6.500 3.756 3.756 3.756 . 0 0 "[ ]" 1
2857 1 20 ASP QB 1 46 PHE HZ 0.000 . 4.500 3.196 3.196 3.196 . 0 0 "[ ]" 1
2858 1 20 ASP QB 1 50 TYR QE 0.000 . 6.500 3.502 3.502 3.502 . 0 0 "[ ]" 1
2859 1 21 SER HA 1 46 PHE QD 0.000 . 7.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
2860 1 21 SER HA 1 46 PHE QE 0.000 . 4.700 2.664 2.664 2.664 . 0 0 "[ ]" 1
2861 1 21 SER HA 1 46 PHE HZ 0.000 . 2.700 1.989 1.989 1.989 . 0 0 "[ ]" 1
2862 1 21 SER HA 1 76 PHE QE 0.000 . 7.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
2863 1 21 SER HA 1 76 PHE HZ 0.000 . 5.000 4.626 4.626 4.626 . 0 0 "[ ]" 1
2864 1 21 SER QB 1 46 PHE QE 0.000 . 8.000 2.762 2.762 2.762 . 0 0 "[ ]" 1
2865 1 21 SER QB 1 46 PHE HZ 0.000 . 6.000 2.008 2.008 2.008 . 0 0 "[ ]" 1
2866 1 22 VAL HA 1 76 PHE QD 0.000 . 5.500 4.180 4.180 4.180 . 0 0 "[ ]" 1
2867 1 22 VAL HA 1 76 PHE QE 0.000 . 4.700 2.740 2.740 2.740 . 0 0 "[ ]" 1
2868 1 22 VAL HA 1 76 PHE HZ 0.000 . 2.700 2.069 2.069 2.069 . 0 0 "[ ]" 1
2869 1 22 VAL MG2 1 76 PHE QD 0.000 . 7.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
2870 1 22 VAL MG2 1 76 PHE QE 0.000 . 7.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
2871 1 22 VAL MG2 1 76 PHE HZ 0.000 . 6.500 3.436 3.436 3.436 . 0 0 "[ ]" 1
2872 1 24 CYS HA 1 41 HIS HD2 0.000 . 5.000 4.802 4.802 4.802 . 0 0 "[ ]" 1
2873 1 24 CYS QB 1 46 PHE QD 0.000 . 8.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
2874 1 24 CYS QB 1 46 PHE QE 0.000 . 5.700 2.296 2.296 2.296 . 0 0 "[ ]" 1
2875 1 24 CYS QB 1 46 PHE HZ 0.000 . 4.500 3.285 3.285 3.285 . 0 0 "[ ]" 1
2876 1 25 ALA HA 1 41 HIS HD2 0.000 . 5.000 5.009 5.009 5.009 0.009 1 0 "[ ]" 1
2877 1 25 ALA MB 1 41 HIS HD2 0.000 . 6.500 6.116 6.116 6.116 . 0 0 "[ ]" 1
2878 1 25 ALA MB 1 76 PHE QE 0.000 . 6.200 2.241 2.241 2.241 . 0 0 "[ ]" 1
2879 1 25 ALA MB 1 76 PHE HZ 0.000 . 4.200 1.867 1.867 1.867 . 0 0 "[ ]" 1
2880 1 27 GLN QB 1 41 HIS HD2 0.000 . 6.000 5.130 5.130 5.130 . 0 0 "[ ]" 1
2881 1 28 ALA HA 1 32 TYR QD 0.000 . 4.700 3.246 3.246 3.246 . 0 0 "[ ]" 1
2882 1 28 ALA HA 1 32 TYR QE 0.000 . 4.700 3.774 3.774 3.774 . 0 0 "[ ]" 1
2883 1 28 ALA HA 1 41 HIS HD2 0.000 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
2884 1 28 ALA MB 1 32 TYR QE 0.000 . 6.200 4.441 4.441 4.441 . 0 0 "[ ]" 1
2885 1 28 ALA MB 1 41 HIS HD2 0.000 . 4.200 2.002 2.002 2.002 . 0 0 "[ ]" 1
2886 1 31 LYS QD 1 32 TYR QD 0.000 . 6.500 3.616 3.616 3.616 . 0 0 "[ ]" 1
2887 1 31 LYS QD 1 32 TYR QE 0.000 . 5.700 2.657 2.657 2.657 . 0 0 "[ ]" 1
2888 1 31 LYS QE 1 32 TYR QE 0.000 . 6.500 4.505 4.505 4.505 . 0 0 "[ ]" 1
2889 1 31 LYS QG 1 32 TYR QD 0.000 . 6.500 4.120 4.120 4.120 . 0 0 "[ ]" 1
2890 1 31 LYS QG 1 32 TYR QE 0.000 . 6.500 4.121 4.121 4.121 . 0 0 "[ ]" 1
2891 1 32 TYR HA 1 32 TYR QE 0.000 . 5.500 4.822 4.822 4.822 . 0 0 "[ ]" 1
2892 1 32 TYR QD 1 37 ASP QB 0.000 . 6.500 2.125 2.125 2.125 . 0 0 "[ ]" 1
2893 1 32 TYR QD 1 38 ILE HA 0.000 . 5.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
2894 1 32 TYR QD 1 41 HIS QB 0.000 . 8.000 3.829 3.829 3.829 . 0 0 "[ ]" 1
2895 1 32 TYR QE 1 38 ILE HA 0.000 . 7.000 5.112 5.112 5.112 . 0 0 "[ ]" 1
2896 1 32 TYR QE 1 41 HIS HA 0.000 . 5.500 5.102 5.102 5.102 . 0 0 "[ ]" 1
2897 1 32 TYR QE 1 41 HIS QB 0.000 . 5.700 3.200 3.200 3.200 . 0 0 "[ ]" 1
2898 1 32 TYR QE 1 41 HIS HE1 0.000 . 7.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
2899 1 41 HIS HA 1 41 HIS HD2 0.000 . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
2900 1 41 HIS HD2 1 42 ILE HA 0.000 . 2.700 2.786 2.786 2.786 0.086 1 0 "[ ]" 1
2901 1 41 HIS HD2 1 42 ILE HB 0.000 . 5.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
2902 1 41 HIS HD2 1 42 ILE MD 0.000 . 4.200 4.119 4.119 4.119 . 0 0 "[ ]" 1
2903 1 41 HIS HD2 1 42 ILE QG 0.000 . 4.500 2.536 2.536 2.536 . 0 0 "[ ]" 1
2904 1 41 HIS HD2 1 42 ILE MG 0.000 . 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
2905 1 42 ILE HA 1 46 PHE QD 0.000 . 7.000 3.694 3.694 3.694 . 0 0 "[ ]" 1
2906 1 42 ILE MD 1 76 PHE QE 0.000 . 6.200 4.634 4.634 4.634 . 0 0 "[ ]" 1
2907 1 42 ILE MD 1 76 PHE HZ 0.000 . 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
2908 1 42 ILE MG 1 46 PHE QD 0.000 . 6.200 2.731 2.731 2.731 . 0 0 "[ ]" 1
2909 1 42 ILE MG 1 46 PHE QE 0.000 . 6.200 2.525 2.525 2.525 . 0 0 "[ ]" 1
2910 1 45 GLU HA 1 46 PHE QD 0.000 . 7.000 4.841 4.841 4.841 . 0 0 "[ ]" 1
2911 1 45 GLU QB 1 46 PHE QD 0.000 . 6.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
2912 1 46 PHE HA 1 50 TYR QD 0.000 . 5.500 1.987 1.987 1.987 . 0 0 "[ ]" 1
2913 1 46 PHE HA 1 50 TYR QE 0.000 . 7.000 3.227 3.227 3.227 . 0 0 "[ ]" 1
2914 1 46 PHE QB 1 50 TYR QD 0.000 . 6.500 2.238 2.238 2.238 . 0 0 "[ ]" 1
2915 1 46 PHE QB 1 50 TYR QE 0.000 . 8.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
2916 1 46 PHE QB 1 54 TRP HD1 0.000 . 6.000 3.447 3.447 3.447 . 0 0 "[ ]" 1
2917 1 46 PHE QB 1 54 TRP HZ2 0.000 . 6.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
2918 1 46 PHE QD 1 50 TYR QD 0.000 . 7.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
2919 1 46 PHE QD 1 50 TYR QE 0.000 . 9.000 2.962 2.962 2.962 . 0 0 "[ ]" 1
2920 1 46 PHE QD 1 54 TRP HE3 0.000 . 7.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
2921 1 46 PHE QD 1 54 TRP HH2 0.000 . 7.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
2922 1 46 PHE QD 1 54 TRP HZ2 0.000 . 7.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
2923 1 46 PHE QD 1 54 TRP HZ3 0.000 . 7.000 3.054 3.054 3.054 . 0 0 "[ ]" 1
2924 1 46 PHE QD 1 85 LEU MD1 0.000 . 7.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
2925 1 46 PHE QD 1 85 LEU MD2 0.000 . 7.000 2.814 2.814 2.814 . 0 0 "[ ]" 1
2926 1 46 PHE QE 1 50 TYR QE 0.000 . 7.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
2927 1 46 PHE QE 1 54 TRP HH2 0.000 . 7.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
2928 1 46 PHE QE 1 85 LEU MD2 0.000 . 7.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
2929 1 46 PHE HZ 1 50 TYR QE 0.000 . 7.000 3.396 3.396 3.396 . 0 0 "[ ]" 1
2930 1 46 PHE HZ 1 85 LEU MD2 0.000 . 6.500 2.719 2.719 2.719 . 0 0 "[ ]" 1
2931 1 47 ASP HA 1 54 TRP HD1 0.000 . 2.700 2.513 2.513 2.513 . 0 0 "[ ]" 1
2932 1 47 ASP QB 1 54 TRP HD1 0.000 . 6.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
2933 1 49 LYS QB 1 50 TYR QD 0.000 . 8.000 3.641 3.641 3.641 . 0 0 "[ ]" 1
2934 1 49 LYS QD 1 50 TYR QE 0.000 . 8.000 2.987 2.987 2.987 . 0 0 "[ ]" 1
2935 1 49 LYS QE 1 50 TYR QE 0.000 . 8.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
2936 1 49 LYS QG 1 50 TYR QE 0.000 . 8.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
2937 1 50 TYR HA 1 54 TRP HZ2 0.000 . 5.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
2938 1 50 TYR QB 1 54 TRP HZ2 0.000 . 4.500 1.974 1.974 1.974 . 0 0 "[ ]" 1
2939 1 50 TYR QB 1 72 HIS HD2 0.000 . 4.500 3.312 3.312 3.312 . 0 0 "[ ]" 1
2940 1 50 TYR QD 1 54 TRP HZ2 0.000 . 7.000 3.328 3.328 3.328 . 0 0 "[ ]" 1
2941 1 52 PRO HA 1 54 TRP HD1 0.000 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
2942 1 52 PRO QB 1 54 TRP HD1 0.000 . 6.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
2943 1 53 THR HA 1 54 TRP HD1 0.000 . 3.500 3.063 3.063 3.063 . 0 0 "[ ]" 1
2944 1 53 THR MG 1 55 HIS HD2 0.000 . 5.000 2.718 2.718 2.718 . 0 0 "[ ]" 1
2945 1 54 TRP HA 1 54 TRP HD1 0.000 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
2946 1 54 TRP HA 1 54 TRP HE3 0.000 . 5.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
2947 1 54 TRP QB 1 54 TRP HZ2 0.000 . 6.000 5.569 5.569 5.569 . 0 0 "[ ]" 1
2948 1 54 TRP HD1 1 87 LYS QB 0.000 . 6.000 5.053 5.053 5.053 . 0 0 "[ ]" 1
2949 1 54 TRP HD1 1 87 LYS QG 0.000 . 6.000 3.289 3.289 3.289 . 0 0 "[ ]" 1
2950 1 54 TRP HE3 1 85 LEU QB 0.000 . 6.000 4.192 4.192 4.192 . 0 0 "[ ]" 1
2951 1 54 TRP HE3 1 85 LEU MD1 0.000 . 4.200 2.291 2.291 2.291 . 0 0 "[ ]" 1
2952 1 54 TRP HE3 1 85 LEU MD2 0.000 . 5.000 3.130 3.130 3.130 . 0 0 "[ ]" 1
2953 1 54 TRP HE3 1 85 LEU HG 0.000 . 2.700 2.084 2.084 2.084 . 0 0 "[ ]" 1
2954 1 54 TRP HE3 1 86 PHE HA 0.000 . 5.000 3.384 3.384 3.384 . 0 0 "[ ]" 1
2955 1 54 TRP HH2 1 72 HIS HA 0.000 . 3.500 3.275 3.275 3.275 . 0 0 "[ ]" 1
2956 1 54 TRP HH2 1 72 HIS QB 0.000 . 6.000 3.233 3.233 3.233 . 0 0 "[ ]" 1
2957 1 54 TRP HH2 1 72 HIS HD2 0.000 . 2.700 2.723 2.723 2.723 0.023 1 0 "[ ]" 1
2958 1 54 TRP HH2 1 85 LEU HG 0.000 . 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 1
2959 1 54 TRP HZ2 1 72 HIS HA 0.000 . 5.000 5.025 5.025 5.025 0.025 1 0 "[ ]" 1
2960 1 54 TRP HZ2 1 72 HIS HD2 0.000 . 2.700 1.961 1.961 1.961 . 0 0 "[ ]" 1
2961 1 54 TRP HZ3 1 72 HIS HA 0.000 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
2962 1 54 TRP HZ3 1 72 HIS QB 0.000 . 6.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
2963 1 54 TRP HZ3 1 72 HIS HD2 0.000 . 5.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
2964 1 54 TRP HZ3 1 74 ILE MG 0.000 . 5.000 3.476 3.476 3.476 . 0 0 "[ ]" 1
2965 1 54 TRP HZ3 1 85 LEU QB 0.000 . 6.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
2966 1 54 TRP HZ3 1 85 LEU MD1 0.000 . 4.200 3.925 3.925 3.925 . 0 0 "[ ]" 1
2967 1 54 TRP HZ3 1 85 LEU MD2 0.000 . 6.500 2.933 2.933 2.933 . 0 0 "[ ]" 1
2968 1 54 TRP HZ3 1 85 LEU HG 0.000 . 2.700 2.700 2.700 2.700 . 0 0 "[ ]" 1
2969 1 54 TRP HZ3 1 86 PHE HA 0.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
2970 1 55 HIS HA 1 55 HIS HD2 0.000 . 3.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
2971 1 55 HIS HD2 2 66 VAL MG1 0.000 . 5.000 4.771 4.771 4.771 . 0 0 "[ ]" 1
2972 1 55 HIS HD2 1 86 PHE QE 0.000 . 5.500 5.515 5.515 5.515 0.015 1 0 "[ ]" 1
2973 1 55 HIS HD2 1 87 LYS HA 0.000 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
2974 1 57 ILE HB 1 62 PHE QE 0.000 . 5.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
2975 1 57 ILE HB 1 62 PHE HZ 0.000 . 5.000 2.949 2.949 2.949 . 0 0 "[ ]" 1
2976 1 57 ILE QG 1 62 PHE QE 0.000 . 8.000 3.222 3.222 3.222 . 0 0 "[ ]" 1
2977 1 57 ILE MG 1 62 PHE QD 0.000 . 6.200 3.378 3.378 3.378 . 0 0 "[ ]" 1
2978 1 57 ILE MG 1 62 PHE QE 0.000 . 6.200 2.331 2.331 2.331 . 0 0 "[ ]" 1
2979 1 57 ILE MG 1 62 PHE HZ 0.000 . 5.000 2.420 2.420 2.420 . 0 0 "[ ]" 1
2980 1 58 VAL HA 1 62 PHE HZ 0.000 . 5.000 3.845 3.845 3.845 . 0 0 "[ ]" 1
2981 1 62 PHE HA 2 62 PHE QE 0.000 . 5.500 4.716 4.716 4.716 . 0 0 "[ ]" 1
2982 1 62 PHE QD 1 64 SER QB 0.000 . 8.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
2983 1 62 PHE HZ 1 75 TYR QD 0.000 . 7.000 4.964 4.964 4.964 . 0 0 "[ ]" 1
2984 1 62 PHE HZ 1 75 TYR QE 0.000 . 5.500 3.137 3.137 3.137 . 0 0 "[ ]" 1
2985 1 62 PHE HZ 1 82 ALA MB 0.000 . 4.200 2.811 2.811 2.811 . 0 0 "[ ]" 1
2986 1 62 PHE HZ 1 84 LEU MD2 0.000 . 4.200 4.060 4.060 4.060 . 0 0 "[ ]" 1
2987 1 65 TYR HA 1 65 TYR QE 0.000 . 4.700 4.272 4.272 4.272 . 0 0 "[ ]" 1
2988 1 66 VAL MG1 1 86 PHE QD 0.000 . 7.000 4.840 4.840 4.840 . 0 0 "[ ]" 1
2989 1 66 VAL MG2 1 68 HIS HA 0.000 . 6.500 5.107 5.107 5.107 . 0 0 "[ ]" 1
2990 1 66 VAL MG2 1 68 HIS HD2 0.000 . 5.000 4.339 4.339 4.339 . 0 0 "[ ]" 1
2991 1 66 VAL MG2 1 73 PHE QD 0.000 . 6.200 4.314 4.314 4.314 . 0 0 "[ ]" 1
2992 1 66 VAL MG2 1 73 PHE QE 0.000 . 7.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
2993 1 66 VAL MG2 1 86 PHE QD 0.000 . 8.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
2994 1 67 THR HA 1 68 HIS HA 0.000 . 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
2995 1 67 THR HA 1 68 HIS HD2 0.000 . 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 1
2996 1 67 THR HB 1 68 HIS HA 0.000 . 5.000 4.885 4.885 4.885 . 0 0 "[ ]" 1
2997 1 67 THR MG 1 68 HIS HA 0.000 . 6.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
2998 1 68 HIS HA 1 68 HIS HD2 0.000 . 5.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
2999 1 68 HIS HA 1 69 GLU HA 0.000 . 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
3000 1 68 HIS HA 1 86 PHE QB 0.000 . 6.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
3001 1 68 HIS HA 1 86 PHE QD 0.000 . 5.500 3.104 3.104 3.104 . 0 0 "[ ]" 1
3002 1 68 HIS HA 1 86 PHE QE 0.000 . 7.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
3003 1 68 HIS HA 1 88 SER QB 0.000 . 3.700 2.953 2.953 2.953 . 0 0 "[ ]" 1
3004 1 68 HIS QB 1 73 PHE QD 0.000 . 8.000 3.058 3.058 3.058 . 0 0 "[ ]" 1
3005 1 68 HIS HD2 1 73 PHE QD 0.000 . 4.700 3.618 3.618 3.618 . 0 0 "[ ]" 1
3006 1 68 HIS HD2 1 73 PHE QE 0.000 . 7.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
3007 1 68 HIS HD2 1 86 PHE QB 0.000 . 6.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
3008 1 68 HIS HD2 1 86 PHE QD 0.000 . 5.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
3009 1 68 HIS HE1 1 70 THR HA 0.000 . 2.700 2.729 2.729 2.729 0.029 1 0 "[ ]" 1
3010 1 68 HIS HE1 1 70 THR MG 0.000 . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
3011 1 68 HIS HE1 1 73 PHE QD 0.000 . 7.000 4.667 4.667 4.667 . 0 0 "[ ]" 1
3012 1 71 LYS HA 1 72 HIS HA 0.000 . 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
3013 1 71 LYS QB 1 72 HIS HE1 0.000 . 3.700 2.848 2.848 2.848 . 0 0 "[ ]" 1
3014 1 71 LYS QD 1 72 HIS HE1 0.000 . 6.000 4.102 4.102 4.102 . 0 0 "[ ]" 1
3015 1 71 LYS QG 1 72 HIS HE1 0.000 . 6.000 4.854 4.854 4.854 . 0 0 "[ ]" 1
3016 1 72 HIS HA 1 72 HIS HD2 0.000 . 5.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
3017 1 72 HIS HA 1 87 LYS QB 0.000 . 6.000 4.807 4.807 4.807 . 0 0 "[ ]" 1
3018 1 72 HIS HA 1 87 LYS QG 0.000 . 6.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
3019 1 72 HIS HD2 1 87 LYS QB 0.000 . 6.000 4.286 4.286 4.286 . 0 0 "[ ]" 1
3020 1 72 HIS HD2 1 87 LYS QG 0.000 . 6.000 3.170 3.170 3.170 . 0 0 "[ ]" 1
3021 1 73 PHE HA 1 86 PHE HA 0.000 . 3.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
3022 1 73 PHE HA 1 86 PHE QB 0.000 . 3.700 2.215 2.215 2.215 . 0 0 "[ ]" 1
3023 1 73 PHE QD 1 74 ILE HA 0.000 . 7.000 3.859 3.859 3.859 . 0 0 "[ ]" 1
3024 1 73 PHE QD 1 86 PHE QB 0.000 . 5.700 1.769 1.769 1.769 . 0 0 "[ ]" 1
3025 1 73 PHE QE 1 74 ILE HA 0.000 . 7.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
3026 1 73 PHE QE 1 75 TYR HA 0.000 . 7.000 5.893 5.893 5.893 . 0 0 "[ ]" 1
3027 1 73 PHE QE 1 75 TYR QD 0.000 . 9.000 4.750 4.750 4.750 . 0 0 "[ ]" 1
3028 1 73 PHE QE 1 84 LEU MD1 0.000 . 6.200 2.680 2.680 2.680 . 0 0 "[ ]" 1
3029 1 73 PHE QE 1 84 LEU MD2 0.000 . 8.500 3.598 3.598 3.598 . 0 0 "[ ]" 1
3030 1 74 ILE HA 1 76 PHE QD 0.000 . 7.000 5.360 5.360 5.360 . 0 0 "[ ]" 1
3031 1 74 ILE HB 1 76 PHE QD 0.000 . 7.000 5.200 5.200 5.200 . 0 0 "[ ]" 1
3032 1 74 ILE MD 1 76 PHE QD 0.000 . 6.200 2.392 2.392 2.392 . 0 0 "[ ]" 1
3033 1 74 ILE MD 1 76 PHE QE 0.000 . 7.000 2.162 2.162 2.162 . 0 0 "[ ]" 1
3034 1 74 ILE QG 1 76 PHE QD 0.000 . 5.700 2.425 2.425 2.425 . 0 0 "[ ]" 1
3035 1 74 ILE MG 1 76 PHE QD 0.000 . 6.200 3.951 3.951 3.951 . 0 0 "[ ]" 1
3036 1 74 ILE MG 1 76 PHE QE 0.000 . 6.200 3.579 3.579 3.579 . 0 0 "[ ]" 1
3037 1 75 TYR HA 1 75 TYR QE 0.000 . 5.500 4.770 4.770 4.770 . 0 0 "[ ]" 1
3038 1 75 TYR HA 1 76 PHE QD 0.000 . 5.500 4.150 4.150 4.150 . 0 0 "[ ]" 1
3039 1 75 TYR QD 1 84 LEU HA 0.000 . 5.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
3040 1 75 TYR QD 1 84 LEU QB 0.000 . 8.000 1.964 1.964 1.964 . 0 0 "[ ]" 1
3041 1 75 TYR QD 1 84 LEU MD1 0.000 . 6.200 1.888 1.888 1.888 . 0 0 "[ ]" 1
3042 1 75 TYR QD 1 84 LEU MD2 0.000 . 7.000 2.787 2.787 2.787 . 0 0 "[ ]" 1
3043 1 75 TYR QE 1 76 PHE HA 0.000 . 7.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
3044 1 75 TYR QE 1 84 LEU HA 0.000 . 7.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
3045 1 75 TYR QE 1 84 LEU MD2 0.000 . 8.500 3.143 3.143 3.143 . 0 0 "[ ]" 1
3046 1 76 PHE HA 1 77 TYR QD 0.000 . 5.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
3047 1 76 PHE QD 1 83 ILE HB 0.000 . 7.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
3048 1 76 PHE QD 1 83 ILE MG 0.000 . 7.000 4.189 4.189 4.189 . 0 0 "[ ]" 1
3049 1 76 PHE QE 1 83 ILE HA 0.000 . 7.000 5.552 5.552 5.552 . 0 0 "[ ]" 1
3050 1 76 PHE QE 1 83 ILE HB 0.000 . 7.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
3051 1 76 PHE QE 1 83 ILE MG 0.000 . 6.200 3.005 3.005 3.005 . 0 0 "[ ]" 1
3052 1 76 PHE QE 1 85 LEU QB 0.000 . 8.000 4.519 4.519 4.519 . 0 0 "[ ]" 1
3053 1 76 PHE QE 1 85 LEU MD2 0.000 . 8.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
3054 1 76 PHE HZ 1 78 LEU MD2 0.000 . 4.200 4.213 4.213 4.213 0.013 1 0 "[ ]" 1
3055 1 76 PHE HZ 1 83 ILE HB 0.000 . 5.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
3056 1 76 PHE HZ 1 83 ILE MG 0.000 . 4.200 3.110 3.110 3.110 . 0 0 "[ ]" 1
3057 1 77 TYR QD 1 80 GLN HA 0.000 . 5.500 5.055 5.055 5.055 . 0 0 "[ ]" 1
3058 1 77 TYR QE 1 80 GLN HA 0.000 . 7.000 6.648 6.648 6.648 . 0 0 "[ ]" 1
3059 1 77 TYR QE 1 82 ALA HA 0.000 . 7.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
3060 1 84 LEU HG 1 86 PHE QD 0.000 . 5.500 2.050 2.050 2.050 . 0 0 "[ ]" 1
3061 1 85 LEU HA 1 86 PHE QD 0.000 . 7.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
3062 1 85 LEU MD2 1 86 PHE HA 0.000 . 5.000 4.793 4.793 4.793 . 0 0 "[ ]" 1
3063 2 6 ALA HA 2 76 PHE QD 0.000 . 7.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
3064 2 6 ALA MB 2 76 PHE QE 0.000 . 7.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
3065 2 7 VAL HB 2 77 TYR QD 0.000 . 5.500 3.152 3.152 3.152 . 0 0 "[ ]" 1
3066 2 7 VAL HB 2 77 TYR QE 0.000 . 7.000 5.442 5.442 5.442 . 0 0 "[ ]" 1
3067 2 8 ILE HA 2 76 PHE QD 0.000 . 5.500 3.968 3.968 3.968 . 0 0 "[ ]" 1
3068 2 8 ILE QG 2 76 PHE QD 0.000 . 5.700 3.499 3.499 3.499 . 0 0 "[ ]" 1
3069 2 8 ILE MG 2 76 PHE QD 0.000 . 7.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
3070 2 9 LYS QB 2 75 TYR QD 0.000 . 5.700 3.419 3.419 3.419 . 0 0 "[ ]" 1
3071 2 9 LYS QB 2 75 TYR QE 0.000 . 6.500 4.264 4.264 4.264 . 0 0 "[ ]" 1
3072 2 9 LYS QD 2 75 TYR QD 0.000 . 6.500 5.364 5.364 5.364 . 0 0 "[ ]" 1
3073 2 9 LYS QD 2 75 TYR QE 0.000 . 5.700 5.705 5.705 5.705 0.005 1 0 "[ ]" 1
3074 2 9 LYS QE 2 75 TYR QD 0.000 . 5.700 5.220 5.220 5.220 . 0 0 "[ ]" 1
3075 2 9 LYS QG 2 75 TYR QD 0.000 . 6.500 3.458 3.458 3.458 . 0 0 "[ ]" 1
3076 2 9 LYS QG 2 75 TYR QE 0.000 . 5.700 3.927 3.927 3.927 . 0 0 "[ ]" 1
3077 2 11 ALA HA 2 73 PHE QD 0.000 . 4.700 4.213 4.213 4.213 . 0 0 "[ ]" 1
3078 2 12 ASP QB 2 68 HIS HE1 0.000 . 3.700 3.521 3.521 3.521 . 0 0 "[ ]" 1
3079 2 13 MET HA 2 72 HIS HA 0.000 . 5.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
3080 2 13 MET ME 2 46 PHE HZ 0.000 . 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
3081 2 13 MET ME 2 54 TRP HE3 0.000 . 6.500 4.042 4.042 4.042 . 0 0 "[ ]" 1
3082 2 13 MET ME 2 54 TRP HH2 0.000 . 4.200 1.877 1.877 1.877 . 0 0 "[ ]" 1
3083 2 13 MET ME 2 54 TRP HZ2 0.000 . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
3084 2 13 MET ME 2 54 TRP HZ3 0.000 . 4.200 1.993 1.993 1.993 . 0 0 "[ ]" 1
3085 2 13 MET ME 2 72 HIS HD2 0.000 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
3086 2 13 MET ME 2 86 PHE HA 0.000 . 6.500 4.283 4.283 4.283 . 0 0 "[ ]" 1
3087 2 13 MET QG 2 72 HIS HA 0.000 . 4.500 4.025 4.025 4.025 . 0 0 "[ ]" 1
3088 2 17 MET HA 2 50 TYR QE 0.000 . 5.500 3.570 3.570 3.570 . 0 0 "[ ]" 1
3089 2 17 MET QB 2 46 PHE QE 0.000 . 5.700 4.364 4.364 4.364 . 0 0 "[ ]" 1
3090 2 17 MET QB 2 50 TYR QE 0.000 . 6.500 3.673 3.673 3.673 . 0 0 "[ ]" 1
3091 2 17 MET ME 2 46 PHE QD 0.000 . 8.500 4.997 4.997 4.997 . 0 0 "[ ]" 1
3092 2 17 MET ME 2 50 TYR QD 0.000 . 7.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
3093 2 17 MET ME 2 50 TYR QE 0.000 . 7.000 2.118 2.118 2.118 . 0 0 "[ ]" 1
3094 2 17 MET ME 2 54 TRP HH2 0.000 . 4.200 3.888 3.888 3.888 . 0 0 "[ ]" 1
3095 2 17 MET ME 2 54 TRP HZ2 0.000 . 4.200 3.919 3.919 3.919 . 0 0 "[ ]" 1
3096 2 17 MET ME 2 72 HIS HD2 0.000 . 4.200 3.768 3.768 3.768 . 0 0 "[ ]" 1
3097 2 17 MET ME 2 72 HIS HE1 0.000 . 6.500 4.398 4.398 4.398 . 0 0 "[ ]" 1
3098 2 17 MET QG 2 46 PHE HZ 0.000 . 6.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
3099 2 17 MET QG 2 50 TYR QE 0.000 . 8.000 2.965 2.965 2.965 . 0 0 "[ ]" 1
3100 2 17 MET QG 2 54 TRP HH2 0.000 . 3.700 2.711 2.711 2.711 . 0 0 "[ ]" 1
3101 2 17 MET QG 2 54 TRP HZ3 0.000 . 3.700 3.779 3.779 3.779 0.079 1 0 "[ ]" 1
3102 2 20 ASP HA 2 46 PHE HZ 0.000 . 5.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
3103 2 20 ASP QB 2 46 PHE QE 0.000 . 6.500 2.871 2.871 2.871 . 0 0 "[ ]" 1
3104 2 20 ASP QB 2 46 PHE HZ 0.000 . 4.500 2.981 2.981 2.981 . 0 0 "[ ]" 1
3105 2 20 ASP QB 2 50 TYR QE 0.000 . 6.500 3.147 3.147 3.147 . 0 0 "[ ]" 1
3106 2 21 SER HA 2 46 PHE QD 0.000 . 7.000 4.649 4.649 4.649 . 0 0 "[ ]" 1
3107 2 21 SER HA 2 46 PHE QE 0.000 . 4.700 2.376 2.376 2.376 . 0 0 "[ ]" 1
3108 2 21 SER HA 2 46 PHE HZ 0.000 . 2.700 2.001 2.001 2.001 . 0 0 "[ ]" 1
3109 2 21 SER HA 2 76 PHE QE 0.000 . 7.000 4.690 4.690 4.690 . 0 0 "[ ]" 1
3110 2 21 SER HA 2 76 PHE HZ 0.000 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
3111 2 21 SER QB 2 46 PHE QE 0.000 . 8.000 3.451 3.451 3.451 . 0 0 "[ ]" 1
3112 2 21 SER QB 2 46 PHE HZ 0.000 . 6.000 3.121 3.121 3.121 . 0 0 "[ ]" 1
3113 2 22 VAL HA 2 76 PHE QD 0.000 . 5.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
3114 2 22 VAL HA 2 76 PHE QE 0.000 . 4.700 2.325 2.325 2.325 . 0 0 "[ ]" 1
3115 2 22 VAL HA 2 76 PHE HZ 0.000 . 2.700 2.089 2.089 2.089 . 0 0 "[ ]" 1
3116 2 22 VAL MG2 2 76 PHE QD 0.000 . 7.000 3.315 3.315 3.315 . 0 0 "[ ]" 1
3117 2 22 VAL MG2 2 76 PHE QE 0.000 . 7.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
3118 2 22 VAL MG2 2 76 PHE HZ 0.000 . 6.500 3.465 3.465 3.465 . 0 0 "[ ]" 1
3119 2 24 CYS HA 2 41 HIS HD2 0.000 . 5.000 4.699 4.699 4.699 . 0 0 "[ ]" 1
3120 2 24 CYS QB 2 46 PHE QD 0.000 . 8.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
3121 2 24 CYS QB 2 46 PHE QE 0.000 . 5.700 2.502 2.502 2.502 . 0 0 "[ ]" 1
3122 2 24 CYS QB 2 46 PHE HZ 0.000 . 4.500 3.205 3.205 3.205 . 0 0 "[ ]" 1
3123 2 25 ALA HA 2 41 HIS HD2 0.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
3124 2 25 ALA MB 2 41 HIS HD2 0.000 . 6.500 6.113 6.113 6.113 . 0 0 "[ ]" 1
3125 2 25 ALA MB 2 76 PHE QE 0.000 . 6.200 2.653 2.653 2.653 . 0 0 "[ ]" 1
3126 2 25 ALA MB 2 76 PHE HZ 0.000 . 4.200 1.794 1.794 1.794 . 0 0 "[ ]" 1
3127 2 27 GLN QB 2 41 HIS HD2 0.000 . 6.000 5.029 5.029 5.029 . 0 0 "[ ]" 1
3128 2 28 ALA HA 2 32 TYR QD 0.000 . 4.700 3.449 3.449 3.449 . 0 0 "[ ]" 1
3129 2 28 ALA HA 2 32 TYR QE 0.000 . 4.700 4.663 4.663 4.663 . 0 0 "[ ]" 1
3130 2 28 ALA HA 2 41 HIS HD2 0.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
3131 2 28 ALA MB 2 32 TYR QE 0.000 . 6.200 4.755 4.755 4.755 . 0 0 "[ ]" 1
3132 2 28 ALA MB 2 41 HIS HD2 0.000 . 4.200 2.187 2.187 2.187 . 0 0 "[ ]" 1
3133 2 31 LYS QD 2 32 TYR QD 0.000 . 6.500 4.334 4.334 4.334 . 0 0 "[ ]" 1
3134 2 31 LYS QD 2 32 TYR QE 0.000 . 5.700 3.986 3.986 3.986 . 0 0 "[ ]" 1
3135 2 31 LYS QE 2 32 TYR QE 0.000 . 6.500 5.639 5.639 5.639 . 0 0 "[ ]" 1
3136 2 31 LYS QG 2 32 TYR QD 0.000 . 6.500 5.094 5.094 5.094 . 0 0 "[ ]" 1
3137 2 31 LYS QG 2 32 TYR QE 0.000 . 6.500 5.386 5.386 5.386 . 0 0 "[ ]" 1
3138 2 32 TYR HA 2 32 TYR QE 0.000 . 5.500 4.448 4.448 4.448 . 0 0 "[ ]" 1
3139 2 32 TYR QD 2 37 ASP QB 0.000 . 6.500 2.634 2.634 2.634 . 0 0 "[ ]" 1
3140 2 32 TYR QD 2 38 ILE HA 0.000 . 5.500 2.932 2.932 2.932 . 0 0 "[ ]" 1
3141 2 32 TYR QD 2 41 HIS QB 0.000 . 8.000 2.531 2.531 2.531 . 0 0 "[ ]" 1
3142 2 32 TYR QE 2 38 ILE HA 0.000 . 7.000 4.890 4.890 4.890 . 0 0 "[ ]" 1
3143 2 32 TYR QE 2 41 HIS HA 0.000 . 5.500 3.815 3.815 3.815 . 0 0 "[ ]" 1
3144 2 32 TYR QE 2 41 HIS QB 0.000 . 5.700 1.947 1.947 1.947 . 0 0 "[ ]" 1
3145 2 32 TYR QE 2 41 HIS HE1 0.000 . 7.000 4.028 4.028 4.028 . 0 0 "[ ]" 1
3146 2 41 HIS HA 2 41 HIS HD2 0.000 . 5.000 4.377 4.377 4.377 . 0 0 "[ ]" 1
3147 2 41 HIS HD2 2 42 ILE HA 0.000 . 2.700 2.783 2.783 2.783 0.083 1 0 "[ ]" 1
3148 2 41 HIS HD2 2 42 ILE HB 0.000 . 5.000 4.706 4.706 4.706 . 0 0 "[ ]" 1
3149 2 41 HIS HD2 2 42 ILE MD 0.000 . 4.200 4.157 4.157 4.157 . 0 0 "[ ]" 1
3150 2 41 HIS HD2 2 42 ILE QG 0.000 . 4.500 2.568 2.568 2.568 . 0 0 "[ ]" 1
3151 2 41 HIS HD2 2 42 ILE MG 0.000 . 5.000 4.325 4.325 4.325 . 0 0 "[ ]" 1
3152 2 42 ILE HA 2 46 PHE QD 0.000 . 7.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
3153 2 42 ILE MD 2 76 PHE QE 0.000 . 6.200 4.286 4.286 4.286 . 0 0 "[ ]" 1
3154 2 42 ILE MD 2 76 PHE HZ 0.000 . 5.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
3155 2 42 ILE MG 2 46 PHE QD 0.000 . 6.200 1.923 1.923 1.923 . 0 0 "[ ]" 1
3156 2 42 ILE MG 2 46 PHE QE 0.000 . 6.200 1.893 1.893 1.893 . 0 0 "[ ]" 1
3157 2 45 GLU HA 2 46 PHE QD 0.000 . 7.000 5.675 5.675 5.675 . 0 0 "[ ]" 1
3158 2 45 GLU QB 2 46 PHE QD 0.000 . 6.500 3.424 3.424 3.424 . 0 0 "[ ]" 1
3159 2 46 PHE HA 2 50 TYR QD 0.000 . 5.500 1.979 1.979 1.979 . 0 0 "[ ]" 1
3160 2 46 PHE HA 2 50 TYR QE 0.000 . 7.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
3161 2 46 PHE QB 2 50 TYR QD 0.000 . 6.500 3.280 3.280 3.280 . 0 0 "[ ]" 1
3162 2 46 PHE QB 2 50 TYR QE 0.000 . 8.000 4.965 4.965 4.965 . 0 0 "[ ]" 1
3163 2 46 PHE QB 2 54 TRP HD1 0.000 . 6.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
3164 2 46 PHE QB 2 54 TRP HZ2 0.000 . 6.000 4.039 4.039 4.039 . 0 0 "[ ]" 1
3165 2 46 PHE QD 2 50 TYR QD 0.000 . 7.500 1.918 1.918 1.918 . 0 0 "[ ]" 1
3166 2 46 PHE QD 2 50 TYR QE 0.000 . 9.000 3.198 3.198 3.198 . 0 0 "[ ]" 1
3167 2 46 PHE QD 2 54 TRP HE3 0.000 . 7.000 4.238 4.238 4.238 . 0 0 "[ ]" 1
3168 2 46 PHE QD 2 54 TRP HH2 0.000 . 7.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
3169 2 46 PHE QD 2 54 TRP HZ2 0.000 . 7.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
3170 2 46 PHE QD 2 54 TRP HZ3 0.000 . 7.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
3171 2 46 PHE QD 2 85 LEU MD1 0.000 . 7.000 3.083 3.083 3.083 . 0 0 "[ ]" 1
3172 2 46 PHE QD 2 85 LEU MD2 0.000 . 7.000 2.533 2.533 2.533 . 0 0 "[ ]" 1
3173 2 46 PHE QE 2 50 TYR QE 0.000 . 7.500 2.691 2.691 2.691 . 0 0 "[ ]" 1
3174 2 46 PHE QE 2 54 TRP HH2 0.000 . 7.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
3175 2 46 PHE QE 2 85 LEU MD2 0.000 . 7.000 2.381 2.381 2.381 . 0 0 "[ ]" 1
3176 2 46 PHE HZ 2 50 TYR QE 0.000 . 7.000 4.155 4.155 4.155 . 0 0 "[ ]" 1
3177 2 46 PHE HZ 2 85 LEU MD2 0.000 . 6.500 2.999 2.999 2.999 . 0 0 "[ ]" 1
3178 2 47 ASP HA 2 54 TRP HD1 0.000 . 2.700 1.834 1.834 1.834 . 0 0 "[ ]" 1
3179 2 47 ASP QB 2 54 TRP HD1 0.000 . 6.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
3180 2 49 LYS QB 2 50 TYR QD 0.000 . 8.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
3181 2 49 LYS QD 2 50 TYR QE 0.000 . 8.000 5.920 5.920 5.920 . 0 0 "[ ]" 1
3182 2 49 LYS QE 2 50 TYR QE 0.000 . 8.000 6.946 6.946 6.946 . 0 0 "[ ]" 1
3183 2 49 LYS QG 2 50 TYR QE 0.000 . 8.000 5.110 5.110 5.110 . 0 0 "[ ]" 1
3184 2 50 TYR HA 2 54 TRP HZ2 0.000 . 5.000 4.541 4.541 4.541 . 0 0 "[ ]" 1
3185 2 50 TYR QB 2 54 TRP HZ2 0.000 . 4.500 1.947 1.947 1.947 . 0 0 "[ ]" 1
3186 2 50 TYR QB 2 72 HIS HD2 0.000 . 4.500 3.411 3.411 3.411 . 0 0 "[ ]" 1
3187 2 50 TYR QD 2 54 TRP HZ2 0.000 . 7.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
3188 2 52 PRO HA 2 54 TRP HD1 0.000 . 3.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
3189 2 52 PRO QB 2 54 TRP HD1 0.000 . 6.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
3190 2 53 THR HA 2 54 TRP HD1 0.000 . 3.500 3.088 3.088 3.088 . 0 0 "[ ]" 1
3191 2 53 THR MG 2 55 HIS HD2 0.000 . 5.000 2.484 2.484 2.484 . 0 0 "[ ]" 1
3192 2 54 TRP HA 2 54 TRP HD1 0.000 . 5.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
3193 2 54 TRP HA 2 54 TRP HE3 0.000 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
3194 2 54 TRP QB 2 54 TRP HZ2 0.000 . 6.000 5.574 5.574 5.574 . 0 0 "[ ]" 1
3195 2 54 TRP HD1 2 87 LYS QB 0.000 . 6.000 5.003 5.003 5.003 . 0 0 "[ ]" 1
3196 2 54 TRP HD1 2 87 LYS QG 0.000 . 6.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
3197 2 54 TRP HE3 2 85 LEU QB 0.000 . 6.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
3198 2 54 TRP HE3 2 85 LEU MD1 0.000 . 4.200 2.064 2.064 2.064 . 0 0 "[ ]" 1
3199 2 54 TRP HE3 2 85 LEU MD2 0.000 . 5.000 2.719 2.719 2.719 . 0 0 "[ ]" 1
3200 2 54 TRP HE3 2 85 LEU HG 0.000 . 2.700 1.992 1.992 1.992 . 0 0 "[ ]" 1
3201 2 54 TRP HE3 2 86 PHE HA 0.000 . 5.000 3.374 3.374 3.374 . 0 0 "[ ]" 1
3202 2 54 TRP HH2 2 72 HIS HA 0.000 . 3.500 3.189 3.189 3.189 . 0 0 "[ ]" 1
3203 2 54 TRP HH2 2 72 HIS QB 0.000 . 6.000 3.085 3.085 3.085 . 0 0 "[ ]" 1
3204 2 54 TRP HH2 2 72 HIS HD2 0.000 . 2.700 2.719 2.719 2.719 0.019 1 0 "[ ]" 1
3205 2 54 TRP HH2 2 85 LEU HG 0.000 . 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 1
3206 2 54 TRP HZ2 2 72 HIS HA 0.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
3207 2 54 TRP HZ2 2 72 HIS HD2 0.000 . 2.700 1.996 1.996 1.996 . 0 0 "[ ]" 1
3208 2 54 TRP HZ3 2 72 HIS HA 0.000 . 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
3209 2 54 TRP HZ3 2 72 HIS QB 0.000 . 6.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
3210 2 54 TRP HZ3 2 72 HIS HD2 0.000 . 5.000 4.632 4.632 4.632 . 0 0 "[ ]" 1
3211 2 54 TRP HZ3 2 74 ILE MG 0.000 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
3212 2 54 TRP HZ3 2 85 LEU QB 0.000 . 6.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
3213 2 54 TRP HZ3 2 85 LEU MD1 0.000 . 4.200 3.838 3.838 3.838 . 0 0 "[ ]" 1
3214 2 54 TRP HZ3 2 85 LEU MD2 0.000 . 6.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
3215 2 54 TRP HZ3 2 85 LEU HG 0.000 . 2.700 2.687 2.687 2.687 . 0 0 "[ ]" 1
3216 2 54 TRP HZ3 2 86 PHE HA 0.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
3217 2 55 HIS HA 2 55 HIS HD2 0.000 . 3.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
3218 1 66 VAL MG1 2 55 HIS HD2 0.000 . 5.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
3219 2 55 HIS HD2 2 86 PHE QE 0.000 . 5.500 4.976 4.976 4.976 . 0 0 "[ ]" 1
3220 2 55 HIS HD2 2 87 LYS HA 0.000 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
3221 2 57 ILE HB 2 62 PHE QE 0.000 . 5.500 3.672 3.672 3.672 . 0 0 "[ ]" 1
3222 2 57 ILE HB 2 62 PHE HZ 0.000 . 5.000 2.902 2.902 2.902 . 0 0 "[ ]" 1
3223 2 57 ILE QG 2 62 PHE QE 0.000 . 8.000 4.831 4.831 4.831 . 0 0 "[ ]" 1
3224 2 57 ILE MG 2 62 PHE QD 0.000 . 6.200 3.660 3.660 3.660 . 0 0 "[ ]" 1
3225 2 57 ILE MG 2 62 PHE QE 0.000 . 6.200 2.788 2.788 2.788 . 0 0 "[ ]" 1
3226 2 57 ILE MG 2 62 PHE HZ 0.000 . 5.000 2.441 2.441 2.441 . 0 0 "[ ]" 1
3227 2 58 VAL HA 2 62 PHE HZ 0.000 . 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
3228 1 62 PHE QE 2 62 PHE HA 0.000 . 5.500 5.509 5.509 5.509 0.009 1 0 "[ ]" 1
3229 2 62 PHE QD 2 64 SER QB 0.000 . 8.000 3.121 3.121 3.121 . 0 0 "[ ]" 1
3230 2 62 PHE HZ 2 75 TYR QD 0.000 . 7.000 5.145 5.145 5.145 . 0 0 "[ ]" 1
3231 2 62 PHE HZ 2 75 TYR QE 0.000 . 5.500 3.506 3.506 3.506 . 0 0 "[ ]" 1
3232 2 62 PHE HZ 2 82 ALA MB 0.000 . 4.200 3.268 3.268 3.268 . 0 0 "[ ]" 1
3233 2 62 PHE HZ 2 84 LEU MD2 0.000 . 4.200 3.644 3.644 3.644 . 0 0 "[ ]" 1
3234 2 65 TYR HA 2 65 TYR QE 0.000 . 4.700 4.728 4.728 4.728 0.028 1 0 "[ ]" 1
3235 2 66 VAL MG1 2 86 PHE QD 0.000 . 7.000 4.704 4.704 4.704 . 0 0 "[ ]" 1
3236 2 66 VAL MG2 2 68 HIS HA 0.000 . 6.500 5.389 5.389 5.389 . 0 0 "[ ]" 1
3237 2 66 VAL MG2 2 68 HIS HD2 0.000 . 5.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
3238 2 66 VAL MG2 2 73 PHE QD 0.000 . 6.200 4.870 4.870 4.870 . 0 0 "[ ]" 1
3239 2 66 VAL MG2 2 73 PHE QE 0.000 . 7.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
3240 2 66 VAL MG2 2 86 PHE QD 0.000 . 8.500 3.247 3.247 3.247 . 0 0 "[ ]" 1
3241 2 67 THR HA 2 68 HIS HA 0.000 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
3242 2 67 THR HA 2 68 HIS HD2 0.000 . 3.500 3.567 3.567 3.567 0.067 1 0 "[ ]" 1
3243 2 67 THR HB 2 68 HIS HA 0.000 . 5.000 4.805 4.805 4.805 . 0 0 "[ ]" 1
3244 2 67 THR MG 2 68 HIS HA 0.000 . 6.500 3.811 3.811 3.811 . 0 0 "[ ]" 1
3245 2 68 HIS HA 2 68 HIS HD2 0.000 . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
3246 2 68 HIS HA 2 69 GLU HA 0.000 . 5.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
3247 2 68 HIS HA 2 86 PHE QB 0.000 . 6.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
3248 2 68 HIS HA 2 86 PHE QD 0.000 . 5.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
3249 2 68 HIS HA 2 86 PHE QE 0.000 . 7.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
3250 2 68 HIS HA 2 88 SER QB 0.000 . 3.700 1.934 1.934 1.934 . 0 0 "[ ]" 1
3251 2 68 HIS QB 2 73 PHE QD 0.000 . 8.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
3252 2 68 HIS HD2 2 73 PHE QD 0.000 . 4.700 4.094 4.094 4.094 . 0 0 "[ ]" 1
3253 2 68 HIS HD2 2 73 PHE QE 0.000 . 7.000 4.619 4.619 4.619 . 0 0 "[ ]" 1
3254 2 68 HIS HD2 2 86 PHE QB 0.000 . 6.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
3255 2 68 HIS HD2 2 86 PHE QD 0.000 . 5.500 4.535 4.535 4.535 . 0 0 "[ ]" 1
3256 2 68 HIS HE1 2 70 THR HA 0.000 . 2.700 2.734 2.734 2.734 0.034 1 0 "[ ]" 1
3257 2 68 HIS HE1 2 70 THR MG 0.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
3258 2 68 HIS HE1 2 73 PHE QD 0.000 . 7.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
3259 2 71 LYS HA 2 72 HIS HA 0.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
3260 2 71 LYS QB 2 72 HIS HE1 0.000 . 3.700 2.974 2.974 2.974 . 0 0 "[ ]" 1
3261 2 71 LYS QD 2 72 HIS HE1 0.000 . 6.000 4.252 4.252 4.252 . 0 0 "[ ]" 1
3262 2 71 LYS QG 2 72 HIS HE1 0.000 . 6.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
3263 2 72 HIS HA 2 72 HIS HD2 0.000 . 5.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
3264 2 72 HIS HA 2 87 LYS QB 0.000 . 6.000 5.175 5.175 5.175 . 0 0 "[ ]" 1
3265 2 72 HIS HA 2 87 LYS QG 0.000 . 6.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
3266 2 72 HIS HD2 2 87 LYS QB 0.000 . 6.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
3267 2 72 HIS HD2 2 87 LYS QG 0.000 . 6.000 3.365 3.365 3.365 . 0 0 "[ ]" 1
3268 2 73 PHE HA 2 86 PHE HA 0.000 . 3.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
3269 2 73 PHE HA 2 86 PHE QB 0.000 . 3.700 2.314 2.314 2.314 . 0 0 "[ ]" 1
3270 2 73 PHE QD 2 74 ILE HA 0.000 . 7.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
3271 2 73 PHE QD 2 86 PHE QB 0.000 . 5.700 1.685 1.685 1.685 . 0 0 "[ ]" 1
3272 2 73 PHE QE 2 74 ILE HA 0.000 . 7.000 4.268 4.268 4.268 . 0 0 "[ ]" 1
3273 2 73 PHE QE 2 75 TYR HA 0.000 . 7.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
3274 2 73 PHE QE 2 75 TYR QD 0.000 . 9.000 4.060 4.060 4.060 . 0 0 "[ ]" 1
3275 2 73 PHE QE 2 84 LEU MD1 0.000 . 6.200 1.907 1.907 1.907 . 0 0 "[ ]" 1
3276 2 73 PHE QE 2 84 LEU MD2 0.000 . 8.500 3.784 3.784 3.784 . 0 0 "[ ]" 1
3277 2 74 ILE HA 2 76 PHE QD 0.000 . 7.000 5.314 5.314 5.314 . 0 0 "[ ]" 1
3278 2 74 ILE HB 2 76 PHE QD 0.000 . 7.000 5.474 5.474 5.474 . 0 0 "[ ]" 1
3279 2 74 ILE MD 2 76 PHE QD 0.000 . 6.200 3.032 3.032 3.032 . 0 0 "[ ]" 1
3280 2 74 ILE MD 2 76 PHE QE 0.000 . 7.000 3.092 3.092 3.092 . 0 0 "[ ]" 1
3281 2 74 ILE QG 2 76 PHE QD 0.000 . 5.700 2.525 2.525 2.525 . 0 0 "[ ]" 1
3282 2 74 ILE MG 2 76 PHE QD 0.000 . 6.200 3.646 3.646 3.646 . 0 0 "[ ]" 1
3283 2 74 ILE MG 2 76 PHE QE 0.000 . 6.200 3.405 3.405 3.405 . 0 0 "[ ]" 1
3284 2 75 TYR HA 2 75 TYR QE 0.000 . 5.500 4.277 4.277 4.277 . 0 0 "[ ]" 1
3285 2 75 TYR HA 2 76 PHE QD 0.000 . 5.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
3286 2 75 TYR QD 2 84 LEU HA 0.000 . 5.500 2.430 2.430 2.430 . 0 0 "[ ]" 1
3287 2 75 TYR QD 2 84 LEU QB 0.000 . 8.000 3.087 3.087 3.087 . 0 0 "[ ]" 1
3288 2 75 TYR QD 2 84 LEU MD1 0.000 . 6.200 2.591 2.591 2.591 . 0 0 "[ ]" 1
3289 2 75 TYR QD 2 84 LEU MD2 0.000 . 7.000 3.799 3.799 3.799 . 0 0 "[ ]" 1
3290 2 75 TYR QE 2 76 PHE HA 0.000 . 7.000 5.173 5.173 5.173 . 0 0 "[ ]" 1
3291 2 75 TYR QE 2 84 LEU HA 0.000 . 7.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
3292 2 75 TYR QE 2 84 LEU MD2 0.000 . 8.500 3.704 3.704 3.704 . 0 0 "[ ]" 1
3293 2 76 PHE HA 2 77 TYR QD 0.000 . 5.500 5.598 5.598 5.598 0.098 1 0 "[ ]" 1
3294 2 76 PHE QD 2 83 ILE HB 0.000 . 7.000 3.680 3.680 3.680 . 0 0 "[ ]" 1
3295 2 76 PHE QD 2 83 ILE MG 0.000 . 7.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
3296 2 76 PHE QE 2 83 ILE HA 0.000 . 7.000 5.316 5.316 5.316 . 0 0 "[ ]" 1
3297 2 76 PHE QE 2 83 ILE HB 0.000 . 7.000 3.059 3.059 3.059 . 0 0 "[ ]" 1
3298 2 76 PHE QE 2 83 ILE MG 0.000 . 6.200 2.438 2.438 2.438 . 0 0 "[ ]" 1
3299 2 76 PHE QE 2 85 LEU QB 0.000 . 8.000 4.009 4.009 4.009 . 0 0 "[ ]" 1
3300 2 76 PHE QE 2 85 LEU MD2 0.000 . 8.500 4.574 4.574 4.574 . 0 0 "[ ]" 1
3301 2 76 PHE HZ 2 78 LEU MD2 0.000 . 4.200 4.235 4.235 4.235 0.035 1 0 "[ ]" 1
3302 2 76 PHE HZ 2 83 ILE HB 0.000 . 5.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
3303 2 76 PHE HZ 2 83 ILE MG 0.000 . 4.200 3.140 3.140 3.140 . 0 0 "[ ]" 1
3304 2 77 TYR QD 2 80 GLN HA 0.000 . 5.500 5.301 5.301 5.301 . 0 0 "[ ]" 1
3305 2 77 TYR QE 2 80 GLN HA 0.000 . 7.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
3306 2 77 TYR QE 2 82 ALA HA 0.000 . 7.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
3307 2 84 LEU HG 2 86 PHE QD 0.000 . 5.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
3308 2 85 LEU HA 2 86 PHE QD 0.000 . 7.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
3309 2 85 LEU MD2 2 86 PHE HA 0.000 . 5.000 4.677 4.677 4.677 . 0 0 "[ ]" 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 118
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 0.339
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0339
_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 35 GLU 0.000 0.000 . 0 "[ ]"
1 36 LYS 0.000 0.000 . 0 "[ ]"
1 40 ALA 0.000 0.000 . 0 "[ ]"
1 57 ILE 0.000 0.000 . 0 "[ ]"
1 60 ARG 0.000 0.000 . 0 "[ ]"
1 61 ASN 0.000 0.000 . 0 "[ ]"
1 62 PHE 0.000 0.000 . 0 "[ ]"
1 63 GLY 0.000 0.000 . 0 "[ ]"
1 64 SER 0.000 0.000 . 0 "[ ]"
1 65 TYR 0.000 0.000 . 0 "[ ]"
1 66 VAL 0.053 0.042 1 0 "[ ]"
1 67 THR 0.005 0.005 1 0 "[ ]"
1 68 HIS 0.000 0.000 . 0 "[ ]"
1 69 GLU 0.017 0.017 1 0 "[ ]"
1 70 THR 0.066 0.046 1 0 "[ ]"
1 73 PHE 0.000 0.000 . 0 "[ ]"
1 75 TYR 0.000 0.000 . 0 "[ ]"
1 77 TYR 0.000 0.000 . 0 "[ ]"
1 82 ALA 0.000 0.000 . 0 "[ ]"
1 84 LEU 0.000 0.000 . 0 "[ ]"
2 35 GLU 0.000 0.000 . 0 "[ ]"
2 36 LYS 0.000 0.000 . 0 "[ ]"
2 40 ALA 0.000 0.000 . 0 "[ ]"
2 57 ILE 0.000 0.000 . 0 "[ ]"
2 60 ARG 0.000 0.000 . 0 "[ ]"
2 61 ASN 0.000 0.000 . 0 "[ ]"
2 62 PHE 0.000 0.000 . 0 "[ ]"
2 63 GLY 0.000 0.000 . 0 "[ ]"
2 64 SER 0.000 0.000 . 0 "[ ]"
2 65 TYR 0.000 0.000 . 0 "[ ]"
2 66 VAL 0.050 0.050 1 0 "[ ]"
2 67 THR 0.000 0.000 . 0 "[ ]"
2 68 HIS 0.027 0.027 1 0 "[ ]"
2 69 GLU 0.042 0.042 1 0 "[ ]"
2 70 THR 0.078 0.078 1 0 "[ ]"
2 73 PHE 0.000 0.000 . 0 "[ ]"
2 75 TYR 0.000 0.000 . 0 "[ ]"
2 77 TYR 0.000 0.000 . 0 "[ ]"
2 82 ALA 0.000 0.000 . 0 "[ ]"
2 84 LEU 0.000 0.000 . 0 "[ ]"
3 1 MET 0.083 0.046 1 0 "[ ]"
3 3 CYS 0.005 0.005 1 0 "[ ]"
3 4 ASP 0.011 0.011 1 0 "[ ]"
3 5 LYS 0.042 0.042 1 0 "[ ]"
3 6 SER 0.000 0.000 . 0 "[ ]"
3 7 THR 0.000 0.000 . 0 "[ ]"
3 8 GLN 0.000 0.000 . 0 "[ ]"
3 9 THR 0.000 0.000 . 0 "[ ]"
4 1 MET 0.120 0.078 1 0 "[ ]"
4 3 CYS 0.000 0.000 . 0 "[ ]"
4 4 ASP 0.027 0.027 1 0 "[ ]"
4 5 LYS 0.050 0.050 1 0 "[ ]"
4 6 SER 0.000 0.000 . 0 "[ ]"
4 7 THR 0.000 0.000 . 0 "[ ]"
4 8 GLN 0.000 0.000 . 0 "[ ]"
4 9 THR 0.000 0.000 . 0 "[ ]"
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 2 75 TYR QD 4 7 THR MG 0.000 . 5.700 2.791 2.791 2.791 . 0 0 "[ ]" 2
2 2 75 TYR QE 4 7 THR MG 0.000 . 5.700 3.825 3.825 3.825 . 0 0 "[ ]" 2
3 1 75 TYR QD 3 7 THR MG 0.000 . 5.700 1.882 1.882 1.882 . 0 0 "[ ]" 2
4 1 75 TYR QE 3 7 THR MG 0.000 . 5.700 2.839 2.839 2.839 . 0 0 "[ ]" 2
5 2 73 PHE QD 4 7 THR MG 0.000 . 8.000 4.453 4.453 4.453 . 0 0 "[ ]" 2
6 2 73 PHE QE 4 7 THR MG 0.000 . 5.700 2.798 2.798 2.798 . 0 0 "[ ]" 2
7 1 73 PHE QD 3 7 THR MG 0.000 . 8.000 5.047 5.047 5.047 . 0 0 "[ ]" 2
8 1 73 PHE QE 3 7 THR MG 0.000 . 5.700 3.309 3.309 3.309 . 0 0 "[ ]" 2
9 2 77 TYR QD 4 9 THR MG 0.000 . 5.700 3.590 3.590 3.590 . 0 0 "[ ]" 2
10 2 77 TYR QE 4 9 THR MG 0.000 . 5.700 3.222 3.222 3.222 . 0 0 "[ ]" 2
11 1 77 TYR QD 3 9 THR MG 0.000 . 5.700 3.444 3.444 3.444 . 0 0 "[ ]" 2
12 1 77 TYR QE 3 9 THR MG 0.000 . 5.700 2.090 2.090 2.090 . 0 0 "[ ]" 2
13 2 82 ALA MB 4 9 THR HB 0.000 . 5.700 2.587 2.587 2.587 . 0 0 "[ ]" 2
14 1 82 ALA MB 3 9 THR HB 0.000 . 5.700 3.743 3.743 3.743 . 0 0 "[ ]" 2
15 2 75 TYR QD 4 7 THR HB 0.000 . 6.500 2.613 2.613 2.613 . 0 0 "[ ]" 2
16 2 75 TYR QE 4 7 THR HB 0.000 . 6.500 2.435 2.435 2.435 . 0 0 "[ ]" 2
17 1 75 TYR QD 3 7 THR HB 0.000 . 6.500 3.056 3.056 3.056 . 0 0 "[ ]" 2
18 1 75 TYR QE 3 7 THR HB 0.000 . 6.500 2.144 2.144 2.144 . 0 0 "[ ]" 2
19 2 84 LEU MD2 4 7 THR MG 0.000 . 6.500 2.008 2.008 2.008 . 0 0 "[ ]" 2
20 1 84 LEU MD2 3 7 THR MG 0.000 . 6.500 1.674 1.674 1.674 . 0 0 "[ ]" 2
21 1 57 ILE MG 1 82 ALA MB 0.000 . 7.000 4.364 4.364 4.364 . 0 0 "[ ]" 2
22 2 57 ILE MG 2 82 ALA MB 0.000 . 7.000 4.833 4.833 4.833 . 0 0 "[ ]" 2
23 1 66 VAL MG2 1 84 LEU MD1 0.000 . 5.700 3.783 3.783 3.783 . 0 0 "[ ]" 2
24 2 66 VAL MG2 2 84 LEU MD1 0.000 . 5.700 3.680 3.680 3.680 . 0 0 "[ ]" 2
25 1 66 VAL MG2 1 84 LEU MD2 0.000 . 5.700 2.591 2.591 2.591 . 0 0 "[ ]" 2
26 2 66 VAL MG2 2 84 LEU MD2 0.000 . 5.700 2.537 2.537 2.537 . 0 0 "[ ]" 2
27 1 64 SER QB 1 84 LEU MD2 0.000 . 7.000 4.163 4.163 4.163 . 0 0 "[ ]" 2
28 2 64 SER QB 2 84 LEU MD2 0.000 . 7.000 4.068 4.068 4.068 . 0 0 "[ ]" 2
29 1 70 THR HA 3 1 MET HA 0.000 . 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 2
30 2 70 THR HA 4 1 MET HA 0.000 . 3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 2
31 1 70 THR HB 3 1 MET HA 0.000 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 2
32 2 70 THR HB 4 1 MET HA 0.000 . 3.500 2.486 2.486 2.486 . 0 0 "[ ]" 2
33 1 70 THR MG 3 1 MET HA 0.000 . 5.000 4.006 4.006 4.006 . 0 0 "[ ]" 2
34 2 70 THR MG 4 1 MET HA 0.000 . 5.000 3.759 3.759 3.759 . 0 0 "[ ]" 2
35 1 67 THR HA 3 4 ASP HA 0.000 . 2.700 1.876 1.876 1.876 . 0 0 "[ ]" 2
36 2 67 THR HA 4 4 ASP HA 0.000 . 2.700 1.903 1.903 1.903 . 0 0 "[ ]" 2
37 1 67 THR MG 3 4 ASP HA 0.000 . 3.700 2.797 2.797 2.797 . 0 0 "[ ]" 2
38 2 67 THR MG 4 4 ASP HA 0.000 . 3.700 2.566 2.566 2.566 . 0 0 "[ ]" 2
39 1 67 THR MG 3 3 CYS HA 0.000 . 3.700 3.705 3.705 3.705 0.005 1 0 "[ ]" 2
40 2 67 THR MG 4 3 CYS HA 0.000 . 3.700 3.201 3.201 3.201 . 0 0 "[ ]" 2
41 1 67 THR MG 3 3 CYS QB 0.000 . 6.000 4.924 4.924 4.924 . 0 0 "[ ]" 2
42 2 67 THR MG 4 3 CYS QB 0.000 . 6.000 3.901 3.901 3.901 . 0 0 "[ ]" 2
43 1 67 THR MG 3 4 ASP QB 0.000 . 6.000 2.606 2.606 2.606 . 0 0 "[ ]" 2
44 2 67 THR MG 4 4 ASP QB 0.000 . 6.000 2.860 2.860 2.860 . 0 0 "[ ]" 2
45 1 67 THR HA 3 4 ASP QB 0.000 . 4.500 2.871 2.871 2.871 . 0 0 "[ ]" 2
46 2 67 THR HA 4 4 ASP QB 0.000 . 4.500 3.649 3.649 3.649 . 0 0 "[ ]" 2
47 1 69 GLU HA 3 1 MET HA 0.000 . 2.700 2.717 2.717 2.717 0.017 1 0 "[ ]" 2
48 2 69 GLU HA 4 1 MET HA 0.000 . 2.700 2.742 2.742 2.742 0.042 1 0 "[ ]" 2
49 1 65 TYR HA 3 6 SER HA 0.000 . 2.700 2.138 2.138 2.138 . 0 0 "[ ]" 2
50 2 65 TYR HA 4 6 SER HA 0.000 . 2.700 2.066 2.066 2.066 . 0 0 "[ ]" 2
51 1 65 TYR HA 3 6 SER QB 0.000 . 5.000 2.902 2.902 2.902 . 0 0 "[ ]" 2
52 2 65 TYR HA 4 6 SER QB 0.000 . 5.000 3.457 3.457 3.457 . 0 0 "[ ]" 2
53 1 60 ARG HA 3 9 THR MG 0.000 . 6.500 4.279 4.279 4.279 . 0 0 "[ ]" 2
54 2 60 ARG HA 4 9 THR MG 0.000 . 6.500 4.038 4.038 4.038 . 0 0 "[ ]" 2
55 1 63 GLY QA 3 8 GLN HA 0.000 . 3.700 2.241 2.241 2.241 . 0 0 "[ ]" 2
56 2 63 GLY QA 4 8 GLN HA 0.000 . 3.700 2.314 2.314 2.314 . 0 0 "[ ]" 2
57 1 66 VAL MG2 3 6 SER HA 0.000 . 5.000 3.617 3.617 3.617 . 0 0 "[ ]" 2
58 2 66 VAL MG2 4 6 SER HA 0.000 . 5.000 3.838 3.838 3.838 . 0 0 "[ ]" 2
59 1 66 VAL MG2 3 5 LYS HA 0.000 . 5.000 5.042 5.042 5.042 0.042 1 0 "[ ]" 2
60 2 66 VAL MG2 4 5 LYS HA 0.000 . 5.000 5.050 5.050 5.050 0.050 1 0 "[ ]" 2
61 1 66 VAL MG2 3 5 LYS QB 0.000 . 6.000 3.547 3.547 3.547 . 0 0 "[ ]" 2
62 2 66 VAL MG2 4 5 LYS QB 0.000 . 6.000 3.563 3.563 3.563 . 0 0 "[ ]" 2
63 1 66 VAL MG2 3 7 THR MG 0.000 . 6.500 2.949 2.949 2.949 . 0 0 "[ ]" 2
64 2 66 VAL MG2 4 7 THR MG 0.000 . 6.500 2.402 2.402 2.402 . 0 0 "[ ]" 2
65 1 66 VAL MG2 3 4 ASP HA 0.000 . 5.000 4.756 4.756 4.756 . 0 0 "[ ]" 2
66 2 66 VAL MG2 4 4 ASP HA 0.000 . 5.000 4.948 4.948 4.948 . 0 0 "[ ]" 2
67 1 61 ASN HA 3 9 THR HA 0.000 . 5.000 4.951 4.951 4.951 . 0 0 "[ ]" 2
68 2 61 ASN HA 4 9 THR HA 0.000 . 5.000 4.858 4.858 4.858 . 0 0 "[ ]" 2
69 1 61 ASN HA 3 9 THR HB 0.000 . 5.000 3.234 3.234 3.234 . 0 0 "[ ]" 2
70 2 61 ASN HA 4 9 THR HB 0.000 . 5.000 3.017 3.017 3.017 . 0 0 "[ ]" 2
71 1 61 ASN HA 3 9 THR MG 0.000 . 5.000 1.887 1.887 1.887 . 0 0 "[ ]" 2
72 2 61 ASN HA 4 9 THR MG 0.000 . 5.000 1.922 1.922 1.922 . 0 0 "[ ]" 2
73 1 61 ASN H 3 9 THR MG 0.000 . 6.500 3.631 3.631 3.631 . 0 0 "[ ]" 2
74 2 61 ASN H 4 9 THR MG 0.000 . 6.500 3.104 3.104 3.104 . 0 0 "[ ]" 2
75 1 62 PHE H 3 9 THR HB 0.000 . 5.000 4.054 4.054 4.054 . 0 0 "[ ]" 2
76 2 62 PHE H 4 9 THR HB 0.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 2
77 1 62 PHE H 3 9 THR MG 0.000 . 4.400 1.940 1.940 1.940 . 0 0 "[ ]" 2
78 2 62 PHE H 4 9 THR MG 0.000 . 4.400 1.934 1.934 1.934 . 0 0 "[ ]" 2
79 1 62 PHE H 3 9 THR H 0.000 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 2
80 2 62 PHE H 4 9 THR H 0.000 . 3.500 2.799 2.799 2.799 . 0 0 "[ ]" 2
81 1 64 SER H 3 8 GLN HA 0.000 . 5.000 3.988 3.988 3.988 . 0 0 "[ ]" 2
82 2 64 SER H 4 8 GLN HA 0.000 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 2
83 1 64 SER H 3 6 SER HA 0.000 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 2
84 2 64 SER H 4 6 SER HA 0.000 . 5.000 4.993 4.993 4.993 . 0 0 "[ ]" 2
85 1 64 SER H 3 7 THR HA 0.000 . 5.000 4.484 4.484 4.484 . 0 0 "[ ]" 2
86 2 64 SER H 4 7 THR HA 0.000 . 5.000 4.818 4.818 4.818 . 0 0 "[ ]" 2
87 1 64 SER H 3 7 THR H 0.000 . 3.500 2.882 2.882 2.882 . 0 0 "[ ]" 2
88 2 64 SER H 4 7 THR H 0.000 . 3.500 3.028 3.028 3.028 . 0 0 "[ ]" 2
89 1 64 SER H 3 7 THR MG 0.000 . 6.500 4.283 4.283 4.283 . 0 0 "[ ]" 2
90 2 64 SER H 4 7 THR MG 0.000 . 6.500 5.101 5.101 5.101 . 0 0 "[ ]" 2
91 1 66 VAL H 3 5 LYS H 0.000 . 3.500 3.197 3.197 3.197 . 0 0 "[ ]" 2
92 2 66 VAL H 4 5 LYS H 0.000 . 3.500 3.140 3.140 3.140 . 0 0 "[ ]" 2
93 1 66 VAL H 3 6 SER HA 0.000 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 2
94 2 66 VAL H 4 6 SER HA 0.000 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 2
95 1 63 GLY H 3 9 THR MG 0.000 . 6.500 5.139 5.139 5.139 . 0 0 "[ ]" 2
96 2 63 GLY H 4 9 THR MG 0.000 . 6.500 5.025 5.025 5.025 . 0 0 "[ ]" 2
97 1 66 VAL H 3 4 ASP HA 0.000 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 2
98 2 66 VAL H 4 4 ASP HA 0.000 . 5.000 4.953 4.953 4.953 . 0 0 "[ ]" 2
99 1 67 THR H 3 4 ASP HA 0.000 . 5.000 4.591 4.591 4.591 . 0 0 "[ ]" 2
100 2 67 THR H 4 4 ASP HA 0.000 . 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 2
101 1 68 HIS H 3 4 ASP HA 0.000 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 2
102 2 68 HIS H 4 4 ASP HA 0.000 . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 2
103 2 36 LYS HA 3 8 GLN QG 0.000 . 6.000 3.752 3.752 3.752 . 0 0 "[ ]" 2
104 1 36 LYS HA 4 8 GLN QG 0.000 . 6.000 4.423 4.423 4.423 . 0 0 "[ ]" 2
105 2 36 LYS QB 3 8 GLN QG 0.000 . 6.000 1.896 1.896 1.896 . 0 0 "[ ]" 2
106 1 36 LYS QB 4 8 GLN QG 0.000 . 6.000 3.003 3.003 3.003 . 0 0 "[ ]" 2
107 2 36 LYS QG 3 8 GLN QG 0.000 . 6.000 2.958 2.958 2.958 . 0 0 "[ ]" 2
108 1 36 LYS QG 4 8 GLN QG 0.000 . 6.000 4.107 4.107 4.107 . 0 0 "[ ]" 2
109 2 36 LYS QD 3 8 GLN QG 0.000 . 6.000 1.960 1.960 1.960 . 0 0 "[ ]" 2
110 1 36 LYS QD 4 8 GLN QG 0.000 . 6.000 3.413 3.413 3.413 . 0 0 "[ ]" 2
111 2 36 LYS QE 3 8 GLN QG 0.000 . 6.000 3.610 3.610 3.610 . 0 0 "[ ]" 2
112 1 36 LYS QE 4 8 GLN QG 0.000 . 6.000 4.407 4.407 4.407 . 0 0 "[ ]" 2
113 2 40 ALA MB 3 6 SER HG 0.000 . 6.000 2.643 2.643 2.643 . 0 0 "[ ]" 2
114 1 40 ALA MB 4 6 SER HG 0.000 . 6.000 4.829 4.829 4.829 . 0 0 "[ ]" 2
115 2 35 GLU H 3 8 GLN HE21 0.000 . 5.000 4.970 4.970 4.970 . 0 0 "[ ]" 2
116 1 35 GLU H 4 8 GLN HE22 0.000 . 5.000 4.534 4.534 4.534 . 0 0 "[ ]" 2
117 2 36 LYS H 3 8 GLN HE21 0.000 . 5.000 4.491 4.491 4.491 . 0 0 "[ ]" 2
118 1 36 LYS H 4 8 GLN HE22 0.000 . 5.000 3.052 3.052 3.052 . 0 0 "[ ]" 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 196
_Distance_constraint_stats_list.Viol_count 50
_Distance_constraint_stats_list.Viol_total 1.054
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0211
_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 7 VAL 0.000 0.000 . 0 "[ ]"
1 9 LYS 0.000 0.000 . 0 "[ ]"
1 15 GLU 0.005 0.005 1 0 "[ ]"
1 16 GLU 0.000 0.000 . 0 "[ ]"
1 17 MET 0.026 0.026 1 0 "[ ]"
1 18 GLN 0.016 0.016 1 0 "[ ]"
1 19 GLN 0.005 0.005 1 0 "[ ]"
1 20 ASP 0.018 0.018 1 0 "[ ]"
1 21 SER 0.050 0.026 1 0 "[ ]"
1 22 VAL 0.016 0.016 1 0 "[ ]"
1 23 GLU 0.000 0.000 1 0 "[ ]"
1 24 CYS 0.018 0.018 1 0 "[ ]"
1 25 ALA 0.024 0.024 1 0 "[ ]"
1 26 THR 0.016 0.016 1 0 "[ ]"
1 27 GLN 0.009 0.009 1 0 "[ ]"
1 28 ALA 0.000 0.000 . 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.016 0.016 1 0 "[ ]"
1 31 LYS 0.009 0.009 1 0 "[ ]"
1 32 TYR 0.000 0.000 . 0 "[ ]"
1 35 GLU 0.000 0.000 . 0 "[ ]"
1 36 LYS 0.073 0.073 1 0 "[ ]"
1 37 ASP 0.000 0.000 . 0 "[ ]"
1 38 ILE 0.000 0.000 . 0 "[ ]"
1 39 ALA 0.019 0.019 1 0 "[ ]"
1 40 ALA 0.113 0.073 1 0 "[ ]"
1 41 HIS 0.002 0.002 1 0 "[ ]"
1 42 ILE 0.029 0.029 1 0 "[ ]"
1 43 LYS 0.019 0.019 1 0 "[ ]"
1 44 LYS 0.040 0.040 1 0 "[ ]"
1 45 GLU 0.002 0.002 1 0 "[ ]"
1 46 PHE 0.029 0.029 1 0 "[ ]"
1 47 ASP 0.000 0.000 . 0 "[ ]"
1 48 LYS 0.000 0.000 . 0 "[ ]"
1 49 LYS 0.000 0.000 . 0 "[ ]"
1 55 HIS 0.030 0.030 1 0 "[ ]"
1 56 CYS 0.046 0.046 1 0 "[ ]"
1 57 ILE 0.017 0.017 1 0 "[ ]"
1 58 VAL 0.078 0.074 1 0 "[ ]"
1 59 GLY 0.006 0.006 1 0 "[ ]"
1 62 PHE 0.011 0.011 1 0 "[ ]"
1 63 GLY 0.066 0.066 1 0 "[ ]"
1 64 SER 0.012 0.012 1 0 "[ ]"
1 65 TYR 0.068 0.068 1 0 "[ ]"
1 66 VAL 0.023 0.023 1 0 "[ ]"
1 74 ILE 0.000 0.000 . 0 "[ ]"
1 75 TYR 0.000 0.000 . 0 "[ ]"
1 76 PHE 0.034 0.030 1 0 "[ ]"
1 77 TYR 0.000 0.000 . 0 "[ ]"
1 78 LEU 0.022 0.022 1 0 "[ ]"
1 81 VAL 0.022 0.022 1 0 "[ ]"
1 82 ALA 0.006 0.006 1 0 "[ ]"
1 83 ILE 0.034 0.030 1 0 "[ ]"
1 84 LEU 0.017 0.017 1 0 "[ ]"
1 85 LEU 0.000 0.000 . 0 "[ ]"
1 86 PHE 0.030 0.030 1 0 "[ ]"
2 7 VAL 0.004 0.003 1 0 "[ ]"
2 9 LYS 0.000 0.000 . 0 "[ ]"
2 15 GLU 0.004 0.004 1 0 "[ ]"
2 16 GLU 0.000 0.000 . 0 "[ ]"
2 17 MET 0.040 0.040 1 0 "[ ]"
2 18 GLN 0.020 0.020 1 0 "[ ]"
2 19 GLN 0.004 0.004 1 0 "[ ]"
2 20 ASP 0.028 0.028 1 0 "[ ]"
2 21 SER 0.049 0.040 1 0 "[ ]"
2 22 VAL 0.020 0.020 1 0 "[ ]"
2 23 GLU 0.000 0.000 . 0 "[ ]"
2 24 CYS 0.028 0.028 1 0 "[ ]"
2 25 ALA 0.008 0.008 1 0 "[ ]"
2 26 THR 0.015 0.015 1 0 "[ ]"
2 27 GLN 0.000 0.000 . 0 "[ ]"
2 28 ALA 0.000 0.000 1 0 "[ ]"
2 29 LEU 0.000 0.000 . 0 "[ ]"
2 30 GLU 0.015 0.015 1 0 "[ ]"
2 31 LYS 0.000 0.000 . 0 "[ ]"
2 32 TYR 0.000 0.000 . 0 "[ ]"
2 35 GLU 0.000 0.000 . 0 "[ ]"
2 36 LYS 0.026 0.026 1 0 "[ ]"
2 37 ASP 0.000 0.000 . 0 "[ ]"
2 38 ILE 0.001 0.001 1 0 "[ ]"
2 39 ALA 0.000 0.000 . 0 "[ ]"
2 40 ALA 0.059 0.032 1 0 "[ ]"
2 41 HIS 0.040 0.040 1 0 "[ ]"
2 42 ILE 0.001 0.001 1 0 "[ ]"
2 43 LYS 0.016 0.016 1 0 "[ ]"
2 44 LYS 0.032 0.032 1 0 "[ ]"
2 45 GLU 0.040 0.040 1 0 "[ ]"
2 46 PHE 0.000 0.000 . 0 "[ ]"
2 47 ASP 0.016 0.016 1 0 "[ ]"
2 48 LYS 0.000 0.000 . 0 "[ ]"
2 49 LYS 0.000 0.000 . 0 "[ ]"
2 55 HIS 0.024 0.015 1 0 "[ ]"
2 56 CYS 0.068 0.068 1 0 "[ ]"
2 57 ILE 0.006 0.006 1 0 "[ ]"
2 58 VAL 0.066 0.066 1 0 "[ ]"
2 59 GLY 0.000 0.000 . 0 "[ ]"
2 62 PHE 0.010 0.010 1 0 "[ ]"
2 63 GLY 0.078 0.074 1 0 "[ ]"
2 64 SER 0.016 0.016 1 0 "[ ]"
2 65 TYR 0.046 0.046 1 0 "[ ]"
2 66 VAL 0.015 0.015 1 0 "[ ]"
2 74 ILE 0.021 0.021 1 0 "[ ]"
2 75 TYR 0.000 0.000 . 0 "[ ]"
2 76 PHE 0.000 0.000 . 0 "[ ]"
2 77 TYR 0.004 0.003 1 0 "[ ]"
2 78 LEU 0.037 0.026 1 0 "[ ]"
2 81 VAL 0.037 0.026 1 0 "[ ]"
2 82 ALA 0.000 0.000 . 0 "[ ]"
2 83 ILE 0.000 0.000 . 0 "[ ]"
2 84 LEU 0.006 0.006 1 0 "[ ]"
2 85 LEU 0.021 0.021 1 0 "[ ]"
2 86 PHE 0.024 0.015 1 0 "[ ]"
3 5 LYS 0.023 0.023 1 0 "[ ]"
3 7 THR 0.012 0.012 1 0 "[ ]"
3 9 THR 0.011 0.011 1 0 "[ ]"
4 5 LYS 0.015 0.015 1 0 "[ ]"
4 7 THR 0.016 0.016 1 0 "[ ]"
4 9 THR 0.010 0.010 1 0 "[ ]"
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 15 GLU O 1 19 GLN N 3.300 2.200 3.300 2.719 2.719 2.719 . 0 0 "[ ]" 3
2 1 15 GLU O 1 19 GLN H 2.200 . 2.200 1.795 1.795 1.795 0.005 1 0 "[ ]" 3
3 1 16 GLU O 1 20 ASP N 3.300 2.200 3.300 2.693 2.693 2.693 . 0 0 "[ ]" 3
4 1 16 GLU O 1 20 ASP H 2.200 . 2.200 1.888 1.888 1.888 . 0 0 "[ ]" 3
5 1 17 MET O 1 21 SER N 3.300 2.200 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 3
6 1 17 MET O 1 21 SER H 2.200 . 2.200 2.226 2.226 2.226 0.026 1 0 "[ ]" 3
7 1 18 GLN O 1 22 VAL N 3.300 2.200 3.300 3.102 3.102 3.102 . 0 0 "[ ]" 3
8 1 18 GLN O 1 22 VAL H 2.200 . 2.200 2.216 2.216 2.216 0.016 1 0 "[ ]" 3
9 1 19 GLN O 1 23 GLU N 3.300 2.200 3.300 3.038 3.038 3.038 . 0 0 "[ ]" 3
10 1 19 GLN O 1 23 GLU H 2.200 . 2.200 2.114 2.114 2.114 . 0 0 "[ ]" 3
11 1 20 ASP O 1 24 CYS N 3.300 2.200 3.300 2.634 2.634 2.634 . 0 0 "[ ]" 3
12 1 20 ASP O 1 24 CYS H 2.200 . 2.200 1.782 1.782 1.782 0.018 1 0 "[ ]" 3
13 1 21 SER O 1 25 ALA N 3.300 2.200 3.300 2.606 2.606 2.606 . 0 0 "[ ]" 3
14 1 21 SER O 1 25 ALA H 2.200 . 2.200 1.776 1.776 1.776 0.024 1 0 "[ ]" 3
15 1 22 VAL O 1 26 THR N 3.300 2.200 3.300 2.934 2.934 2.934 . 0 0 "[ ]" 3
16 1 22 VAL O 1 26 THR H 2.200 . 2.200 2.009 2.009 2.009 . 0 0 "[ ]" 3
17 1 23 GLU O 1 27 GLN N 3.300 2.200 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 3
18 1 23 GLU O 1 27 GLN H 2.200 . 2.200 1.800 1.800 1.800 0.000 1 0 "[ ]" 3
19 1 24 CYS O 1 28 ALA N 3.300 2.200 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 3
20 1 24 CYS O 1 28 ALA H 2.200 . 2.200 2.100 2.100 2.100 . 0 0 "[ ]" 3
21 1 25 ALA O 1 29 LEU N 3.300 2.200 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 3
22 1 25 ALA O 1 29 LEU H 2.200 . 2.200 1.892 1.892 1.892 . 0 0 "[ ]" 3
23 1 26 THR O 1 30 GLU N 3.300 2.200 3.300 3.173 3.173 3.173 . 0 0 "[ ]" 3
24 1 26 THR O 1 30 GLU H 2.200 . 2.200 2.216 2.216 2.216 0.016 1 0 "[ ]" 3
25 1 27 GLN O 1 31 LYS N 3.300 2.200 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 3
26 1 27 GLN O 1 31 LYS H 2.200 . 2.200 2.209 2.209 2.209 0.009 1 0 "[ ]" 3
27 1 28 ALA O 1 32 TYR N 3.300 2.200 3.300 2.882 2.882 2.882 . 0 0 "[ ]" 3
28 1 28 ALA O 1 32 TYR H 2.200 . 2.200 1.906 1.906 1.906 . 0 0 "[ ]" 3
29 1 35 GLU O 1 39 ALA N 3.300 2.200 3.300 3.087 3.087 3.087 . 0 0 "[ ]" 3
30 1 35 GLU O 1 39 ALA H 2.200 . 2.200 2.124 2.124 2.124 . 0 0 "[ ]" 3
31 1 36 LYS O 1 40 ALA N 3.300 2.200 3.300 3.255 3.255 3.255 . 0 0 "[ ]" 3
32 1 36 LYS O 1 40 ALA H 2.200 . 2.200 2.273 2.273 2.273 0.073 1 0 "[ ]" 3
33 1 37 ASP O 1 41 HIS N 3.300 2.200 3.300 2.791 2.791 2.791 . 0 0 "[ ]" 3
34 1 37 ASP O 1 41 HIS H 2.200 . 2.200 1.932 1.932 1.932 . 0 0 "[ ]" 3
35 1 38 ILE O 1 42 ILE N 3.300 2.200 3.300 2.791 2.791 2.791 . 0 0 "[ ]" 3
36 1 38 ILE O 1 42 ILE H 2.200 . 2.200 1.813 1.813 1.813 . 0 0 "[ ]" 3
37 1 39 ALA O 1 43 LYS N 3.300 2.200 3.300 2.724 2.724 2.724 . 0 0 "[ ]" 3
38 1 39 ALA O 1 43 LYS H 2.200 . 2.200 1.781 1.781 1.781 0.019 1 0 "[ ]" 3
39 1 40 ALA O 1 44 LYS N 3.300 2.200 3.300 3.205 3.205 3.205 . 0 0 "[ ]" 3
40 1 40 ALA O 1 44 LYS H 2.200 . 2.200 2.240 2.240 2.240 0.040 1 0 "[ ]" 3
41 1 41 HIS O 1 45 GLU N 3.300 2.200 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 3
42 1 41 HIS O 1 45 GLU H 2.200 . 2.200 2.202 2.202 2.202 0.002 1 0 "[ ]" 3
43 1 42 ILE O 1 46 PHE N 3.300 2.200 3.300 3.136 3.136 3.136 . 0 0 "[ ]" 3
44 1 42 ILE O 1 46 PHE H 2.200 . 2.200 2.229 2.229 2.229 0.029 1 0 "[ ]" 3
45 1 43 LYS O 1 47 ASP N 3.300 2.200 3.300 2.821 2.821 2.821 . 0 0 "[ ]" 3
46 1 43 LYS O 1 47 ASP H 2.200 . 2.200 1.876 1.876 1.876 . 0 0 "[ ]" 3
47 1 44 LYS O 1 48 LYS N 3.300 2.200 3.300 2.751 2.751 2.751 . 0 0 "[ ]" 3
48 1 44 LYS O 1 48 LYS H 2.200 . 2.200 2.105 2.105 2.105 . 0 0 "[ ]" 3
49 1 45 GLU O 1 49 LYS N 3.300 2.200 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 3
50 1 45 GLU O 1 49 LYS H 2.200 . 2.200 1.980 1.980 1.980 . 0 0 "[ ]" 3
51 1 58 VAL H 2 63 GLY O 2.200 . 2.200 1.796 1.796 1.796 0.004 1 0 "[ ]" 3
52 1 58 VAL N 2 63 GLY O 3.300 2.200 3.300 2.723 2.723 2.723 . 0 0 "[ ]" 3
53 1 56 CYS H 2 65 TYR O 2.200 . 2.200 2.246 2.246 2.246 0.046 1 0 "[ ]" 3
54 1 56 CYS N 2 65 TYR O 3.300 2.200 3.300 3.197 3.197 3.197 . 0 0 "[ ]" 3
55 1 56 CYS O 2 65 TYR H 2.200 . 2.200 1.961 1.961 1.961 . 0 0 "[ ]" 3
56 1 56 CYS O 2 65 TYR N 3.300 2.200 3.300 2.853 2.853 2.853 . 0 0 "[ ]" 3
57 1 58 VAL O 2 63 GLY H 2.200 . 2.200 1.726 1.726 1.726 0.074 1 0 "[ ]" 3
58 1 58 VAL O 2 63 GLY N 3.300 2.200 3.300 2.643 2.643 2.643 . 0 0 "[ ]" 3
59 1 55 HIS O 1 86 PHE H 2.200 . 2.200 2.172 2.172 2.172 . 0 0 "[ ]" 3
60 1 55 HIS O 1 86 PHE N 3.300 2.200 3.300 3.011 3.011 3.011 . 0 0 "[ ]" 3
61 1 57 ILE O 1 84 LEU H 2.200 . 2.200 1.783 1.783 1.783 0.017 1 0 "[ ]" 3
62 1 57 ILE O 1 84 LEU N 3.300 2.200 3.300 2.673 2.673 2.673 . 0 0 "[ ]" 3
63 1 59 GLY O 1 82 ALA H 2.200 . 2.200 1.964 1.964 1.964 . 0 0 "[ ]" 3
64 1 59 GLY O 1 82 ALA N 3.300 2.200 3.300 2.873 2.873 2.873 . 0 0 "[ ]" 3
65 1 78 LEU H 1 81 VAL O 2.200 . 2.200 1.778 1.778 1.778 0.022 1 0 "[ ]" 3
66 1 78 LEU N 1 81 VAL O 3.300 2.200 3.300 2.686 2.686 2.686 . 0 0 "[ ]" 3
67 1 59 GLY H 1 82 ALA O 2.200 . 2.200 2.206 2.206 2.206 0.006 1 0 "[ ]" 3
68 1 59 GLY N 1 82 ALA O 3.300 2.200 3.300 3.038 3.038 3.038 . 0 0 "[ ]" 3
69 1 74 ILE H 1 85 LEU O 2.200 . 2.200 1.863 1.863 1.863 . 0 0 "[ ]" 3
70 1 74 ILE N 1 85 LEU O 3.300 2.200 3.300 2.688 2.688 2.688 . 0 0 "[ ]" 3
71 1 74 ILE O 1 85 LEU H 2.200 . 2.200 1.907 1.907 1.907 . 0 0 "[ ]" 3
72 1 74 ILE O 1 85 LEU N 3.300 2.200 3.300 2.818 2.818 2.818 . 0 0 "[ ]" 3
73 1 66 VAL O 3 5 LYS H 2.200 . 2.200 1.818 1.818 1.818 . 0 0 "[ ]" 3
74 1 66 VAL O 3 5 LYS N 3.300 2.200 3.300 2.798 2.798 2.798 . 0 0 "[ ]" 3
75 1 66 VAL H 3 5 LYS O 2.200 . 2.200 2.223 2.223 2.223 0.023 1 0 "[ ]" 3
76 1 66 VAL N 3 5 LYS O 3.300 2.200 3.300 3.141 3.141 3.141 . 0 0 "[ ]" 3
77 1 64 SER O 3 7 THR H 2.200 . 2.200 1.788 1.788 1.788 0.012 1 0 "[ ]" 3
78 1 64 SER O 3 7 THR N 3.300 2.200 3.300 2.652 2.652 2.652 . 0 0 "[ ]" 3
79 1 64 SER H 3 7 THR O 2.200 . 2.200 1.930 1.930 1.930 . 0 0 "[ ]" 3
80 1 64 SER N 3 7 THR O 3.300 2.200 3.300 2.841 2.841 2.841 . 0 0 "[ ]" 3
81 1 62 PHE O 3 9 THR H 2.200 . 2.200 2.211 2.211 2.211 0.011 1 0 "[ ]" 3
82 1 62 PHE O 3 9 THR N 3.300 2.200 3.300 3.155 3.155 3.155 . 0 0 "[ ]" 3
83 1 76 PHE H 1 83 ILE O 2.200 . 2.200 2.204 2.204 2.204 0.004 1 0 "[ ]" 3
84 1 76 PHE N 1 83 ILE O 3.300 2.200 3.300 3.133 3.133 3.133 . 0 0 "[ ]" 3
85 1 57 ILE H 1 84 LEU O 2.200 . 2.200 1.920 1.920 1.920 . 0 0 "[ ]" 3
86 1 57 ILE N 1 84 LEU O 3.300 2.200 3.300 2.868 2.868 2.868 . 0 0 "[ ]" 3
87 1 55 HIS H 1 86 PHE O 2.200 . 2.200 1.770 1.770 1.770 0.030 1 0 "[ ]" 3
88 1 55 HIS N 1 86 PHE O 3.300 2.200 3.300 2.708 2.708 2.708 . 0 0 "[ ]" 3
89 1 9 LYS N 1 75 TYR O 3.300 2.200 3.300 3.157 3.157 3.157 . 0 0 "[ ]" 3
90 1 9 LYS H 1 75 TYR O 2.200 . 2.200 2.188 2.188 2.188 . 0 0 "[ ]" 3
91 1 76 PHE O 1 83 ILE N 3.300 2.200 3.300 2.970 2.970 2.970 . 0 0 "[ ]" 3
92 1 76 PHE O 1 83 ILE H 2.200 . 2.200 2.230 2.230 2.230 0.030 1 0 "[ ]" 3
93 1 7 VAL N 1 77 TYR O 3.300 2.200 3.300 2.582 2.582 2.582 . 0 0 "[ ]" 3
94 1 7 VAL H 1 77 TYR O 2.200 . 2.200 2.053 2.053 2.053 . 0 0 "[ ]" 3
95 1 78 LEU O 1 81 VAL N 3.300 2.200 3.300 2.805 2.805 2.805 . 0 0 "[ ]" 3
96 1 78 LEU O 1 81 VAL H 2.200 . 2.200 2.067 2.067 2.067 . 0 0 "[ ]" 3
97 1 7 VAL O 1 77 TYR N 3.300 2.200 3.300 2.904 2.904 2.904 . 0 0 "[ ]" 3
98 1 7 VAL O 1 77 TYR H 2.200 . 2.200 1.977 1.977 1.977 . 0 0 "[ ]" 3
99 2 15 GLU O 2 19 GLN N 3.300 2.200 3.300 2.696 2.696 2.696 . 0 0 "[ ]" 3
100 2 15 GLU O 2 19 GLN H 2.200 . 2.200 1.796 1.796 1.796 0.004 1 0 "[ ]" 3
101 2 16 GLU O 2 20 ASP N 3.300 2.200 3.300 2.728 2.728 2.728 . 0 0 "[ ]" 3
102 2 16 GLU O 2 20 ASP H 2.200 . 2.200 1.920 1.920 1.920 . 0 0 "[ ]" 3
103 2 17 MET O 2 21 SER N 3.300 2.200 3.300 3.090 3.090 3.090 . 0 0 "[ ]" 3
104 2 17 MET O 2 21 SER H 2.200 . 2.200 2.240 2.240 2.240 0.040 1 0 "[ ]" 3
105 2 18 GLN O 2 22 VAL N 3.300 2.200 3.300 3.115 3.115 3.115 . 0 0 "[ ]" 3
106 2 18 GLN O 2 22 VAL H 2.200 . 2.200 2.220 2.220 2.220 0.020 1 0 "[ ]" 3
107 2 19 GLN O 2 23 GLU N 3.300 2.200 3.300 3.092 3.092 3.092 . 0 0 "[ ]" 3
108 2 19 GLN O 2 23 GLU H 2.200 . 2.200 2.164 2.164 2.164 . 0 0 "[ ]" 3
109 2 20 ASP O 2 24 CYS N 3.300 2.200 3.300 2.632 2.632 2.632 . 0 0 "[ ]" 3
110 2 20 ASP O 2 24 CYS H 2.200 . 2.200 1.772 1.772 1.772 0.028 1 0 "[ ]" 3
111 2 21 SER O 2 25 ALA N 3.300 2.200 3.300 2.599 2.599 2.599 . 0 0 "[ ]" 3
112 2 21 SER O 2 25 ALA H 2.200 . 2.200 1.792 1.792 1.792 0.008 1 0 "[ ]" 3
113 2 22 VAL O 2 26 THR N 3.300 2.200 3.300 2.944 2.944 2.944 . 0 0 "[ ]" 3
114 2 22 VAL O 2 26 THR H 2.200 . 2.200 2.000 2.000 2.000 . 0 0 "[ ]" 3
115 2 23 GLU O 2 27 GLN N 3.300 2.200 3.300 2.808 2.808 2.808 . 0 0 "[ ]" 3
116 2 23 GLU O 2 27 GLN H 2.200 . 2.200 1.845 1.845 1.845 . 0 0 "[ ]" 3
117 2 24 CYS O 2 28 ALA N 3.300 2.200 3.300 2.964 2.964 2.964 . 0 0 "[ ]" 3
118 2 24 CYS O 2 28 ALA H 2.200 . 2.200 2.200 2.200 2.200 . 1 0 "[ ]" 3
119 2 25 ALA O 2 29 LEU N 3.300 2.200 3.300 2.822 2.822 2.822 . 0 0 "[ ]" 3
120 2 25 ALA O 2 29 LEU H 2.200 . 2.200 1.946 1.946 1.946 . 0 0 "[ ]" 3
121 2 26 THR O 2 30 GLU N 3.300 2.200 3.300 3.144 3.144 3.144 . 0 0 "[ ]" 3
122 2 26 THR O 2 30 GLU H 2.200 . 2.200 2.215 2.215 2.215 0.015 1 0 "[ ]" 3
123 2 27 GLN O 2 31 LYS N 3.300 2.200 3.300 2.997 2.997 2.997 . 0 0 "[ ]" 3
124 2 27 GLN O 2 31 LYS H 2.200 . 2.200 2.125 2.125 2.125 . 0 0 "[ ]" 3
125 2 28 ALA O 2 32 TYR N 3.300 2.200 3.300 2.770 2.770 2.770 . 0 0 "[ ]" 3
126 2 28 ALA O 2 32 TYR H 2.200 . 2.200 1.834 1.834 1.834 . 0 0 "[ ]" 3
127 2 35 GLU O 2 39 ALA N 3.300 2.200 3.300 2.798 2.798 2.798 . 0 0 "[ ]" 3
128 2 35 GLU O 2 39 ALA H 2.200 . 2.200 1.819 1.819 1.819 . 0 0 "[ ]" 3
129 2 36 LYS O 2 40 ALA N 3.300 2.200 3.300 3.167 3.167 3.167 . 0 0 "[ ]" 3
130 2 36 LYS O 2 40 ALA H 2.200 . 2.200 2.226 2.226 2.226 0.026 1 0 "[ ]" 3
131 2 37 ASP O 2 41 HIS N 3.300 2.200 3.300 2.726 2.726 2.726 . 0 0 "[ ]" 3
132 2 37 ASP O 2 41 HIS H 2.200 . 2.200 1.869 1.869 1.869 . 0 0 "[ ]" 3
133 2 38 ILE O 2 42 ILE N 3.300 2.200 3.300 3.173 3.173 3.173 . 0 0 "[ ]" 3
134 2 38 ILE O 2 42 ILE H 2.200 . 2.200 2.201 2.201 2.201 0.001 1 0 "[ ]" 3
135 2 39 ALA O 2 43 LYS N 3.300 2.200 3.300 2.828 2.828 2.828 . 0 0 "[ ]" 3
136 2 39 ALA O 2 43 LYS H 2.200 . 2.200 1.859 1.859 1.859 . 0 0 "[ ]" 3
137 2 40 ALA O 2 44 LYS N 3.300 2.200 3.300 3.188 3.188 3.188 . 0 0 "[ ]" 3
138 2 40 ALA O 2 44 LYS H 2.200 . 2.200 2.232 2.232 2.232 0.032 1 0 "[ ]" 3
139 2 41 HIS O 2 45 GLU N 3.300 2.200 3.300 3.203 3.203 3.203 . 0 0 "[ ]" 3
140 2 41 HIS O 2 45 GLU H 2.200 . 2.200 2.240 2.240 2.240 0.040 1 0 "[ ]" 3
141 2 42 ILE O 2 46 PHE N 3.300 2.200 3.300 3.058 3.058 3.058 . 0 0 "[ ]" 3
142 2 42 ILE O 2 46 PHE H 2.200 . 2.200 2.110 2.110 2.110 . 0 0 "[ ]" 3
143 2 43 LYS O 2 47 ASP N 3.300 2.200 3.300 2.699 2.699 2.699 . 0 0 "[ ]" 3
144 2 43 LYS O 2 47 ASP H 2.200 . 2.200 1.784 1.784 1.784 0.016 1 0 "[ ]" 3
145 2 44 LYS O 2 48 LYS N 3.300 2.200 3.300 2.660 2.660 2.660 . 0 0 "[ ]" 3
146 2 44 LYS O 2 48 LYS H 2.200 . 2.200 1.840 1.840 1.840 . 0 0 "[ ]" 3
147 2 45 GLU O 2 49 LYS N 3.300 2.200 3.300 2.769 2.769 2.769 . 0 0 "[ ]" 3
148 2 45 GLU O 2 49 LYS H 2.200 . 2.200 1.860 1.860 1.860 . 0 0 "[ ]" 3
149 1 63 GLY O 2 58 VAL H 2.200 . 2.200 1.802 1.802 1.802 . 0 0 "[ ]" 3
150 1 63 GLY O 2 58 VAL N 3.300 2.200 3.300 2.656 2.656 2.656 . 0 0 "[ ]" 3
151 1 65 TYR O 2 56 CYS H 2.200 . 2.200 2.268 2.268 2.268 0.068 1 0 "[ ]" 3
152 1 65 TYR O 2 56 CYS N 3.300 2.200 3.300 3.236 3.236 3.236 . 0 0 "[ ]" 3
153 1 65 TYR H 2 56 CYS O 2.200 . 2.200 2.087 2.087 2.087 . 0 0 "[ ]" 3
154 1 65 TYR N 2 56 CYS O 3.300 2.200 3.300 2.893 2.893 2.893 . 0 0 "[ ]" 3
155 1 63 GLY H 2 58 VAL O 2.200 . 2.200 1.734 1.734 1.734 0.066 1 0 "[ ]" 3
156 1 63 GLY N 2 58 VAL O 3.300 2.200 3.300 2.597 2.597 2.597 . 0 0 "[ ]" 3
157 2 55 HIS O 2 86 PHE H 2.200 . 2.200 2.209 2.209 2.209 0.009 1 0 "[ ]" 3
158 2 55 HIS O 2 86 PHE N 3.300 2.200 3.300 3.076 3.076 3.076 . 0 0 "[ ]" 3
159 2 57 ILE O 2 84 LEU H 2.200 . 2.200 1.794 1.794 1.794 0.006 1 0 "[ ]" 3
160 2 57 ILE O 2 84 LEU N 3.300 2.200 3.300 2.727 2.727 2.727 . 0 0 "[ ]" 3
161 2 59 GLY O 2 82 ALA H 2.200 . 2.200 1.817 1.817 1.817 . 0 0 "[ ]" 3
162 2 59 GLY O 2 82 ALA N 3.300 2.200 3.300 2.691 2.691 2.691 . 0 0 "[ ]" 3
163 2 78 LEU H 2 81 VAL O 2.200 . 2.200 1.789 1.789 1.789 0.011 1 0 "[ ]" 3
164 2 78 LEU N 2 81 VAL O 3.300 2.200 3.300 2.592 2.592 2.592 . 0 0 "[ ]" 3
165 2 59 GLY H 2 82 ALA O 2.200 . 2.200 2.100 2.100 2.100 . 0 0 "[ ]" 3
166 2 59 GLY N 2 82 ALA O 3.300 2.200 3.300 2.996 2.996 2.996 . 0 0 "[ ]" 3
167 2 74 ILE H 2 85 LEU O 2.200 . 2.200 1.779 1.779 1.779 0.021 1 0 "[ ]" 3
168 2 74 ILE N 2 85 LEU O 3.300 2.200 3.300 2.711 2.711 2.711 . 0 0 "[ ]" 3
169 2 74 ILE O 2 85 LEU H 2.200 . 2.200 1.874 1.874 1.874 . 0 0 "[ ]" 3
170 2 74 ILE O 2 85 LEU N 3.300 2.200 3.300 2.779 2.779 2.779 . 0 0 "[ ]" 3
171 2 66 VAL O 4 5 LYS H 2.200 . 2.200 1.785 1.785 1.785 0.015 1 0 "[ ]" 3
172 2 66 VAL O 4 5 LYS N 3.300 2.200 3.300 2.641 2.641 2.641 . 0 0 "[ ]" 3
173 2 66 VAL H 4 5 LYS O 2.200 . 2.200 2.195 2.195 2.195 . 0 0 "[ ]" 3
174 2 66 VAL N 4 5 LYS O 3.300 2.200 3.300 3.101 3.101 3.101 . 0 0 "[ ]" 3
175 2 64 SER O 4 7 THR H 2.200 . 2.200 1.817 1.817 1.817 . 0 0 "[ ]" 3
176 2 64 SER O 4 7 THR N 3.300 2.200 3.300 2.587 2.587 2.587 . 0 0 "[ ]" 3
177 2 64 SER H 4 7 THR O 2.200 . 2.200 1.784 1.784 1.784 0.016 1 0 "[ ]" 3
178 2 64 SER N 4 7 THR O 3.300 2.200 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 3
179 2 62 PHE O 4 9 THR H 2.200 . 2.200 2.210 2.210 2.210 0.010 1 0 "[ ]" 3
180 2 62 PHE O 4 9 THR N 3.300 2.200 3.300 3.138 3.138 3.138 . 0 0 "[ ]" 3
181 2 76 PHE H 2 83 ILE O 2.200 . 2.200 2.199 2.199 2.199 . 0 0 "[ ]" 3
182 2 76 PHE N 2 83 ILE O 3.300 2.200 3.300 3.167 3.167 3.167 . 0 0 "[ ]" 3
183 2 57 ILE H 2 84 LEU O 2.200 . 2.200 1.943 1.943 1.943 . 0 0 "[ ]" 3
184 2 57 ILE N 2 84 LEU O 3.300 2.200 3.300 2.905 2.905 2.905 . 0 0 "[ ]" 3
185 2 55 HIS H 2 86 PHE O 2.200 . 2.200 1.785 1.785 1.785 0.015 1 0 "[ ]" 3
186 2 55 HIS N 2 86 PHE O 3.300 2.200 3.300 2.739 2.739 2.739 . 0 0 "[ ]" 3
187 2 9 LYS N 2 75 TYR O 3.300 2.200 3.300 2.837 2.837 2.837 . 0 0 "[ ]" 3
188 2 9 LYS H 2 75 TYR O 2.200 . 2.200 1.988 1.988 1.988 . 0 0 "[ ]" 3
189 2 76 PHE O 2 83 ILE N 3.300 2.200 3.300 2.900 2.900 2.900 . 0 0 "[ ]" 3
190 2 76 PHE O 2 83 ILE H 2.200 . 2.200 1.952 1.952 1.952 . 0 0 "[ ]" 3
191 2 7 VAL N 2 77 TYR O 3.300 2.200 3.300 2.658 2.658 2.658 . 0 0 "[ ]" 3
192 2 7 VAL H 2 77 TYR O 2.200 . 2.200 2.201 2.201 2.201 0.001 1 0 "[ ]" 3
193 2 78 LEU O 2 81 VAL N 3.300 2.200 3.300 2.911 2.911 2.911 . 0 0 "[ ]" 3
194 2 78 LEU O 2 81 VAL H 2.200 . 2.200 2.226 2.226 2.226 0.026 1 0 "[ ]" 3
195 2 7 VAL O 2 77 TYR N 3.300 2.200 3.300 3.163 3.163 3.163 . 0 0 "[ ]" 3
196 2 7 VAL O 2 77 TYR H 2.200 . 2.200 2.203 2.203 2.203 0.003 1 0 "[ ]" 3
stop_
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