NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400705 |
1v49   |
5958 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v49
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 1861
_Distance_constraint_stats_list.Viol_count 126
_Distance_constraint_stats_list.Viol_total 6.025
_Distance_constraint_stats_list.Viol_max 0.181
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0478
_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 PRO 0.000 0.000 . 0 "[ ]"
1 3 SER 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.143 0.143 1 0 "[ ]"
1 5 LYS 0.272 0.143 1 0 "[ ]"
1 6 THR 0.094 0.094 1 0 "[ ]"
1 7 PHE 0.039 0.030 1 0 "[ ]"
1 8 LYS 0.000 0.000 . 0 "[ ]"
1 9 GLN 0.000 0.000 . 0 "[ ]"
1 10 ARG 0.122 0.083 1 0 "[ ]"
1 11 ARG 0.083 0.083 1 0 "[ ]"
1 12 THR 0.000 0.000 . 0 "[ ]"
1 13 PHE 0.253 0.107 1 0 "[ ]"
1 14 GLU 0.194 0.107 1 0 "[ ]"
1 15 GLN 0.064 0.064 1 0 "[ ]"
1 16 ARG 0.096 0.064 1 0 "[ ]"
1 17 VAL 0.000 0.000 . 0 "[ ]"
1 18 GLU 0.119 0.053 1 0 "[ ]"
1 19 ASP 0.113 0.061 1 0 "[ ]"
1 20 VAL 0.038 0.038 1 0 "[ ]"
1 21 ARG 0.207 0.074 1 0 "[ ]"
1 22 LEU 0.198 0.074 1 0 "[ ]"
1 23 ILE 0.284 0.091 1 0 "[ ]"
1 24 ARG 0.209 0.140 1 0 "[ ]"
1 25 GLU 0.000 0.000 . 0 "[ ]"
1 26 GLN 0.078 0.051 1 0 "[ ]"
1 27 HIS 0.288 0.107 1 0 "[ ]"
1 29 THR 0.000 0.000 . 0 "[ ]"
1 30 LYS 0.187 0.107 1 0 "[ ]"
1 31 ILE 0.162 0.054 1 0 "[ ]"
1 32 PRO 0.091 0.091 1 0 "[ ]"
1 33 VAL 0.044 0.044 1 0 "[ ]"
1 34 ILE 0.072 0.072 1 0 "[ ]"
1 35 ILE 0.100 0.051 1 0 "[ ]"
1 36 GLU 0.122 0.085 1 0 "[ ]"
1 37 ARG 0.098 0.063 1 0 "[ ]"
1 38 TYR 0.000 0.000 . 0 "[ ]"
1 39 LYS 0.017 0.017 1 0 "[ ]"
1 40 GLY 0.048 0.048 1 0 "[ ]"
1 41 GLU 0.048 0.048 1 0 "[ ]"
1 42 LYS 0.000 0.000 . 0 "[ ]"
1 43 GLN 0.400 0.181 1 0 "[ ]"
1 44 LEU 0.099 0.078 1 0 "[ ]"
1 45 PRO 0.000 0.000 . 0 "[ ]"
1 46 VAL 0.000 0.000 . 0 "[ ]"
1 47 LEU 0.000 0.000 . 0 "[ ]"
1 48 ASP 0.136 0.070 1 0 "[ ]"
1 49 LYS 0.026 0.026 1 0 "[ ]"
1 50 THR 0.040 0.038 1 0 "[ ]"
1 51 LYS 0.134 0.072 1 0 "[ ]"
1 52 PHE 0.050 0.044 1 0 "[ ]"
1 53 LEU 0.146 0.140 1 0 "[ ]"
1 54 VAL 0.140 0.140 1 0 "[ ]"
1 55 PRO 0.087 0.054 1 0 "[ ]"
1 56 ASP 0.099 0.040 1 0 "[ ]"
1 57 HIS 0.012 0.012 1 0 "[ ]"
1 58 VAL 0.101 0.101 1 0 "[ ]"
1 59 ASN 0.125 0.085 1 0 "[ ]"
1 60 MET 0.172 0.063 1 0 "[ ]"
1 61 SER 0.309 0.103 1 0 "[ ]"
1 62 GLU 0.235 0.101 1 0 "[ ]"
1 63 LEU 0.036 0.036 1 0 "[ ]"
1 64 ILE 0.103 0.054 1 0 "[ ]"
1 65 LYS 0.080 0.049 1 0 "[ ]"
1 66 ILE 0.142 0.059 1 0 "[ ]"
1 67 ILE 0.063 0.059 1 0 "[ ]"
1 68 ARG 0.232 0.113 1 0 "[ ]"
1 69 ARG 0.353 0.113 1 0 "[ ]"
1 70 ARG 0.000 0.000 . 0 "[ ]"
1 71 LEU 0.057 0.057 1 0 "[ ]"
1 72 GLN 0.138 0.098 1 0 "[ ]"
1 73 LEU 0.058 0.032 1 0 "[ ]"
1 74 ASN 0.019 0.019 1 0 "[ ]"
1 75 ALA 0.024 0.024 1 0 "[ ]"
1 76 ASN 0.059 0.035 1 0 "[ ]"
1 77 GLN 0.153 0.050 1 0 "[ ]"
1 78 ALA 0.049 0.049 1 0 "[ ]"
1 79 PHE 0.000 0.000 . 0 "[ ]"
1 80 PHE 0.021 0.021 1 0 "[ ]"
1 81 LEU 0.078 0.049 1 0 "[ ]"
1 82 LEU 0.033 0.033 1 0 "[ ]"
1 83 VAL 0.000 0.000 . 0 "[ ]"
1 84 ASN 0.005 0.005 1 0 "[ ]"
1 85 GLY 0.000 0.000 . 0 "[ ]"
1 86 HIS 0.005 0.005 1 0 "[ ]"
1 87 SER 0.000 0.000 . 0 "[ ]"
1 88 MET 0.000 0.000 . 0 "[ ]"
1 89 VAL 0.000 0.000 . 0 "[ ]"
1 90 SER 0.000 0.000 . 0 "[ ]"
1 91 VAL 0.232 0.129 1 0 "[ ]"
1 92 SER 0.085 0.085 1 0 "[ ]"
1 93 THR 0.314 0.129 1 0 "[ ]"
1 94 PRO 0.112 0.063 1 0 "[ ]"
1 95 ILE 0.017 0.012 1 0 "[ ]"
1 96 SER 0.132 0.083 1 0 "[ ]"
1 97 GLU 0.113 0.083 1 0 "[ ]"
1 98 VAL 0.211 0.066 1 0 "[ ]"
1 99 TYR 0.155 0.100 1 0 "[ ]"
1 100 GLU 0.182 0.100 1 0 "[ ]"
1 101 SER 0.101 0.051 1 0 "[ ]"
1 102 GLU 0.006 0.006 1 0 "[ ]"
1 103 LYS 0.142 0.070 1 0 "[ ]"
1 104 ASP 0.000 0.000 . 0 "[ ]"
1 105 GLU 0.056 0.045 1 0 "[ ]"
1 106 ASP 0.000 0.000 . 0 "[ ]"
1 107 GLY 0.037 0.037 1 0 "[ ]"
1 108 PHE 0.000 0.000 . 0 "[ ]"
1 109 LEU 0.000 0.000 . 0 "[ ]"
1 110 TYR 0.020 0.020 1 0 "[ ]"
1 111 MET 0.104 0.051 1 0 "[ ]"
1 112 VAL 0.000 0.000 . 0 "[ ]"
1 113 TYR 0.132 0.083 1 0 "[ ]"
1 114 ALA 0.132 0.083 1 0 "[ ]"
1 115 SER 0.000 0.000 . 0 "[ ]"
1 116 GLN 0.083 0.051 1 0 "[ ]"
1 117 GLU 0.087 0.051 1 0 "[ ]"
1 118 THR 0.046 0.046 1 0 "[ ]"
1 119 PHE 0.033 0.033 1 0 "[ ]"
1 120 GLY 0.033 0.033 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 3 SER H 1 3 SER HA 2.650 . 3.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
2 1 3 SER H 1 3 SER HB2 3.400 . 5.000 3.383 3.383 3.383 . 0 0 "[ ]" 1
3 1 4 GLU HA 1 5 LYS H 2.300 . 2.800 2.943 2.943 2.943 0.143 1 0 "[ ]" 1
4 1 4 GLU HB3 1 5 LYS H 3.400 . 5.000 4.554 4.554 4.554 . 0 0 "[ ]" 1
5 1 4 GLU HB2 1 5 LYS H 3.400 . 5.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
6 1 4 GLU QG 1 5 LYS H 3.550 . 5.300 3.499 3.499 3.499 . 0 0 "[ ]" 1
7 1 5 LYS H 1 5 LYS HA 2.650 . 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 1
8 1 5 LYS H 1 5 LYS HB2 2.650 . 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
9 1 5 LYS H 1 5 LYS QE 4.050 . 6.300 4.826 4.826 4.826 . 0 0 "[ ]" 1
10 1 5 LYS H 1 5 LYS HG3 2.650 . 3.500 2.647 2.647 2.647 . 0 0 "[ ]" 1
11 1 5 LYS H 1 5 LYS HG2 2.650 . 3.500 3.156 3.156 3.156 . 0 0 "[ ]" 1
12 1 6 THR H 1 7 PHE H 3.400 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
13 1 5 LYS HA 1 6 THR H 2.300 . 2.800 2.371 2.371 2.371 . 0 0 "[ ]" 1
14 1 5 LYS HB3 1 6 THR H 2.650 . 3.500 2.760 2.760 2.760 . 0 0 "[ ]" 1
15 1 5 LYS HB2 1 6 THR H 2.650 . 3.500 3.594 3.594 3.594 0.094 1 0 "[ ]" 1
16 1 5 LYS QD 1 6 THR H 3.550 . 5.300 4.535 4.535 4.535 . 0 0 "[ ]" 1
17 1 6 THR H 1 9 GLN HB3 2.650 . 3.500 2.100 2.100 2.100 . 0 0 "[ ]" 1
18 1 6 THR H 1 9 GLN HB2 3.400 . 5.000 3.046 3.046 3.046 . 0 0 "[ ]" 1
19 1 6 THR H 1 9 GLN H 2.650 . 3.500 3.462 3.462 3.462 . 0 0 "[ ]" 1
20 1 6 THR H 1 6 THR HB 3.400 . 5.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
21 1 6 THR H 1 6 THR MG 2.900 . 4.000 2.491 2.491 2.491 . 0 0 "[ ]" 1
22 1 7 PHE H 1 7 PHE HA 2.650 . 3.500 2.882 2.882 2.882 . 0 0 "[ ]" 1
23 1 7 PHE H 1 7 PHE QB 2.800 . 3.800 2.051 2.051 2.051 . 0 0 "[ ]" 1
24 1 7 PHE H 1 7 PHE QD 3.650 . 5.500 3.883 3.883 3.883 . 0 0 "[ ]" 1
25 1 7 PHE H 1 34 ILE MG 4.150 . 6.500 4.720 4.720 4.720 . 0 0 "[ ]" 1
26 1 7 PHE H 1 8 LYS H 3.400 . 5.000 2.661 2.661 2.661 . 0 0 "[ ]" 1
27 1 6 THR HA 1 7 PHE H 2.650 . 3.500 2.580 2.580 2.580 . 0 0 "[ ]" 1
28 1 6 THR HB 1 7 PHE H 2.650 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
29 1 6 THR MG 1 7 PHE H 3.650 . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
30 1 7 PHE HA 1 8 LYS H 3.400 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
31 1 7 PHE QB 1 8 LYS H 3.550 . 5.300 2.652 2.652 2.652 . 0 0 "[ ]" 1
32 1 7 PHE QD 1 8 LYS H 3.650 . 5.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
33 1 8 LYS H 1 8 LYS QB 2.800 . 3.800 2.153 2.153 2.153 . 0 0 "[ ]" 1
34 1 8 LYS H 1 9 GLN H 2.650 . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
35 1 6 THR HB 1 8 LYS H 3.400 . 5.000 2.937 2.937 2.937 . 0 0 "[ ]" 1
36 1 7 PHE HA 1 9 GLN H 3.400 . 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
37 1 8 LYS QB 1 9 GLN H 3.550 . 5.300 2.561 2.561 2.561 . 0 0 "[ ]" 1
38 1 9 GLN H 1 9 GLN HA 2.650 . 3.500 2.920 2.920 2.920 . 0 0 "[ ]" 1
39 1 9 GLN H 1 9 GLN HB3 2.650 . 3.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
40 1 9 GLN H 1 9 GLN HB2 2.650 . 3.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
41 1 9 GLN H 1 9 GLN QG 3.550 . 5.300 3.932 3.932 3.932 . 0 0 "[ ]" 1
42 1 6 THR HB 1 9 GLN H 3.400 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
43 1 6 THR MG 1 9 GLN H 4.150 . 6.500 4.323 4.323 4.323 . 0 0 "[ ]" 1
44 1 7 PHE HA 1 10 ARG H 3.400 . 5.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
45 1 9 GLN HB3 1 10 ARG H 3.400 . 5.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
46 1 9 GLN HB2 1 10 ARG H 3.400 . 5.000 3.916 3.916 3.916 . 0 0 "[ ]" 1
47 1 9 GLN H 1 10 ARG H 2.650 . 3.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
48 1 10 ARG H 1 10 ARG HA 2.650 . 3.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
49 1 10 ARG H 1 10 ARG HB3 2.650 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
50 1 10 ARG H 1 10 ARG HB2 2.650 . 3.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
51 1 10 ARG H 1 10 ARG QD 4.050 . 6.300 4.264 4.264 4.264 . 0 0 "[ ]" 1
52 1 10 ARG H 1 10 ARG HG2 3.400 . 5.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
53 1 6 THR MG 1 10 ARG H 4.150 . 6.500 5.452 5.452 5.452 . 0 0 "[ ]" 1
54 1 7 PHE HA 1 11 ARG H 3.400 . 5.000 3.050 3.050 3.050 . 0 0 "[ ]" 1
55 1 8 LYS HA 1 11 ARG H 3.400 . 5.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
56 1 10 ARG HA 1 11 ARG H 2.650 . 3.500 3.583 3.583 3.583 0.083 1 0 "[ ]" 1
57 1 10 ARG HB3 1 11 ARG H 2.650 . 3.500 2.085 2.085 2.085 . 0 0 "[ ]" 1
58 1 10 ARG HB2 1 11 ARG H 2.650 . 3.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
59 1 10 ARG H 1 11 ARG H 2.650 . 3.500 2.679 2.679 2.679 . 0 0 "[ ]" 1
60 1 11 ARG H 1 11 ARG HA 2.650 . 3.500 2.949 2.949 2.949 . 0 0 "[ ]" 1
61 1 11 ARG H 1 11 ARG HB3 2.650 . 3.500 3.417 3.417 3.417 . 0 0 "[ ]" 1
62 1 11 ARG H 1 11 ARG HB2 2.650 . 3.500 2.072 2.072 2.072 . 0 0 "[ ]" 1
63 1 11 ARG H 1 11 ARG HD3 3.400 . 5.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
64 1 11 ARG H 1 11 ARG HG3 2.650 . 3.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
65 1 11 ARG H 1 11 ARG HG2 2.650 . 3.500 3.436 3.436 3.436 . 0 0 "[ ]" 1
66 1 11 ARG H 1 12 THR H 3.400 . 5.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
67 1 12 THR H 1 15 GLN HB2 3.400 . 5.000 2.280 2.280 2.280 . 0 0 "[ ]" 1
68 1 12 THR H 1 15 GLN QG 3.550 . 5.300 2.611 2.611 2.611 . 0 0 "[ ]" 1
69 1 11 ARG HA 1 12 THR H 2.650 . 3.500 2.269 2.269 2.269 . 0 0 "[ ]" 1
70 1 11 ARG HB3 1 12 THR H 3.400 . 5.000 3.133 3.133 3.133 . 0 0 "[ ]" 1
71 1 12 THR H 1 12 THR MG 3.650 . 5.500 3.735 3.735 3.735 . 0 0 "[ ]" 1
72 1 13 PHE H 1 14 GLU HB2 3.400 . 5.000 4.721 4.721 4.721 . 0 0 "[ ]" 1
73 1 13 PHE H 1 14 GLU H 2.650 . 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 1
74 1 13 PHE H 1 13 PHE HA 2.650 . 3.500 2.834 2.834 2.834 . 0 0 "[ ]" 1
75 1 13 PHE H 1 13 PHE HB3 2.650 . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
76 1 13 PHE H 1 13 PHE HB2 2.650 . 3.500 2.282 2.282 2.282 . 0 0 "[ ]" 1
77 1 13 PHE H 1 13 PHE QD 3.650 . 5.500 4.078 4.078 4.078 . 0 0 "[ ]" 1
78 1 12 THR HA 1 13 PHE H 2.300 . 2.800 2.424 2.424 2.424 . 0 0 "[ ]" 1
79 1 12 THR MG 1 13 PHE H 3.650 . 5.500 2.103 2.103 2.103 . 0 0 "[ ]" 1
80 1 14 GLU H 1 14 GLU HA 2.650 . 3.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
81 1 14 GLU H 1 14 GLU HB3 2.650 . 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 1
82 1 14 GLU H 1 14 GLU HB2 2.650 . 3.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
83 1 14 GLU H 1 14 GLU HG3 2.650 . 3.500 2.186 2.186 2.186 . 0 0 "[ ]" 1
84 1 14 GLU H 1 14 GLU HG2 2.650 . 3.500 3.315 3.315 3.315 . 0 0 "[ ]" 1
85 1 13 PHE HA 1 14 GLU H 2.650 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
86 1 13 PHE HB3 1 14 GLU H 2.650 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
87 1 13 PHE HB2 1 14 GLU H 2.650 . 3.500 3.607 3.607 3.607 0.107 1 0 "[ ]" 1
88 1 13 PHE QD 1 14 GLU H 3.650 . 5.500 3.973 3.973 3.973 . 0 0 "[ ]" 1
89 1 12 THR MG 1 14 GLU H 3.650 . 5.500 2.107 2.107 2.107 . 0 0 "[ ]" 1
90 1 14 GLU HA 1 15 GLN H 3.400 . 5.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
91 1 14 GLU HB3 1 15 GLN H 3.400 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
92 1 14 GLU HB2 1 15 GLN H 3.400 . 5.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
93 1 14 GLU H 1 15 GLN H 2.650 . 3.500 2.801 2.801 2.801 . 0 0 "[ ]" 1
94 1 15 GLN H 1 15 GLN HA 2.650 . 3.500 2.856 2.856 2.856 . 0 0 "[ ]" 1
95 1 15 GLN H 1 15 GLN HB2 3.400 . 5.000 2.265 2.265 2.265 . 0 0 "[ ]" 1
96 1 15 GLN H 1 15 GLN QG 2.800 . 3.800 2.351 2.351 2.351 . 0 0 "[ ]" 1
97 1 12 THR MG 1 15 GLN H 4.150 . 6.500 3.123 3.123 3.123 . 0 0 "[ ]" 1
98 1 12 THR H 1 15 GLN H 3.400 . 5.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
99 1 14 GLU HA 1 16 ARG H 3.400 . 5.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
100 1 13 PHE HA 1 16 ARG H 2.650 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1
101 1 15 GLN HA 1 16 ARG H 2.650 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
102 1 15 GLN HB3 1 16 ARG H 2.650 . 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
103 1 15 GLN HB2 1 16 ARG H 2.650 . 3.500 2.585 2.585 2.585 . 0 0 "[ ]" 1
104 1 15 GLN H 1 16 ARG H 2.650 . 3.500 2.730 2.730 2.730 . 0 0 "[ ]" 1
105 1 16 ARG H 1 16 ARG HA 2.650 . 3.500 2.888 2.888 2.888 . 0 0 "[ ]" 1
106 1 16 ARG H 1 17 VAL H 2.650 . 3.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
107 1 16 ARG HA 1 17 VAL H 3.400 . 5.000 3.580 3.580 3.580 . 0 0 "[ ]" 1
108 1 17 VAL H 1 17 VAL HA 2.650 . 3.500 2.884 2.884 2.884 . 0 0 "[ ]" 1
109 1 17 VAL H 1 17 VAL HB 2.650 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
110 1 17 VAL H 1 17 VAL MG1 4.150 . 6.500 3.702 3.702 3.702 . 0 0 "[ ]" 1
111 1 17 VAL H 1 17 VAL MG2 3.650 . 5.500 2.194 2.194 2.194 . 0 0 "[ ]" 1
112 1 18 GLU H 1 18 GLU HA 2.300 . 2.800 2.848 2.848 2.848 0.048 1 0 "[ ]" 1
113 1 18 GLU H 1 18 GLU QB 2.450 . 3.100 2.113 2.113 2.113 . 0 0 "[ ]" 1
114 1 18 GLU H 1 18 GLU QG 2.800 . 3.800 2.638 2.638 2.638 . 0 0 "[ ]" 1
115 1 17 VAL HB 1 18 GLU H 2.650 . 3.500 2.664 2.664 2.664 . 0 0 "[ ]" 1
116 1 17 VAL MG1 1 18 GLU H 3.650 . 5.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
117 1 17 VAL MG2 1 18 GLU H 3.650 . 5.500 3.937 3.937 3.937 . 0 0 "[ ]" 1
118 1 17 VAL H 1 18 GLU H 2.650 . 3.500 2.612 2.612 2.612 . 0 0 "[ ]" 1
119 1 19 ASP H 1 19 ASP HA 2.650 . 3.500 2.877 2.877 2.877 . 0 0 "[ ]" 1
120 1 19 ASP H 1 19 ASP HB3 2.650 . 3.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
121 1 19 ASP H 1 19 ASP HB2 2.650 . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
122 1 18 GLU HA 1 19 ASP H 2.650 . 3.500 3.553 3.553 3.553 0.053 1 0 "[ ]" 1
123 1 18 GLU QB 1 19 ASP H 2.800 . 3.800 2.624 2.624 2.624 . 0 0 "[ ]" 1
124 1 18 GLU QG 1 19 ASP H 3.550 . 5.300 4.328 4.328 4.328 . 0 0 "[ ]" 1
125 1 18 GLU H 1 19 ASP H 2.650 . 3.500 2.699 2.699 2.699 . 0 0 "[ ]" 1
126 1 15 GLN HA 1 19 ASP H 3.400 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
127 1 19 ASP H 1 20 VAL H 2.650 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
128 1 19 ASP HA 1 20 VAL H 3.400 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
129 1 19 ASP HB3 1 20 VAL H 2.650 . 3.500 3.398 3.398 3.398 . 0 0 "[ ]" 1
130 1 19 ASP HB2 1 20 VAL H 2.650 . 3.500 2.736 2.736 2.736 . 0 0 "[ ]" 1
131 1 18 GLU HA 1 20 VAL H 3.400 . 5.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
132 1 20 VAL H 1 108 PHE QE 3.650 . 5.500 3.591 3.591 3.591 . 0 0 "[ ]" 1
133 1 17 VAL HA 1 20 VAL H 3.400 . 5.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
134 1 20 VAL H 1 20 VAL HA 2.650 . 3.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
135 1 20 VAL H 1 20 VAL HB 2.650 . 3.500 2.452 2.452 2.452 . 0 0 "[ ]" 1
136 1 20 VAL H 1 20 VAL MG1 3.650 . 5.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
137 1 20 VAL H 1 20 VAL MG2 3.650 . 5.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
138 1 18 GLU HA 1 21 ARG H 2.650 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
139 1 21 ARG H 1 21 ARG HA 2.650 . 3.500 2.853 2.853 2.853 . 0 0 "[ ]" 1
140 1 21 ARG H 1 21 ARG HB3 2.650 . 3.500 3.543 3.543 3.543 0.043 1 0 "[ ]" 1
141 1 21 ARG H 1 21 ARG HD3 3.400 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
142 1 21 ARG H 1 21 ARG HG3 3.400 . 5.000 3.403 3.403 3.403 . 0 0 "[ ]" 1
143 1 17 VAL MG1 1 21 ARG H 3.650 . 5.500 4.381 4.381 4.381 . 0 0 "[ ]" 1
144 1 20 VAL HA 1 21 ARG H 2.650 . 3.500 3.538 3.538 3.538 0.038 1 0 "[ ]" 1
145 1 20 VAL HB 1 21 ARG H 2.650 . 3.500 2.771 2.771 2.771 . 0 0 "[ ]" 1
146 1 20 VAL MG1 1 21 ARG H 3.650 . 5.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
147 1 20 VAL MG2 1 21 ARG H 3.650 . 5.500 3.898 3.898 3.898 . 0 0 "[ ]" 1
148 1 19 ASP HA 1 22 LEU H 2.650 . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 1
149 1 18 GLU HA 1 22 LEU H 3.400 . 5.000 4.958 4.958 4.958 . 0 0 "[ ]" 1
150 1 22 LEU H 1 22 LEU HA 2.650 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
151 1 22 LEU H 1 22 LEU HB2 2.300 . 2.800 2.158 2.158 2.158 . 0 0 "[ ]" 1
152 1 22 LEU H 1 22 LEU MD1 3.650 . 5.500 2.199 2.199 2.199 . 0 0 "[ ]" 1
153 1 22 LEU H 1 22 LEU MD2 3.650 . 5.500 4.094 4.094 4.094 . 0 0 "[ ]" 1
154 1 22 LEU H 1 22 LEU HG 2.650 . 3.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
155 1 21 ARG HA 1 22 LEU H 2.650 . 3.500 3.574 3.574 3.574 0.074 1 0 "[ ]" 1
156 1 21 ARG HB3 1 22 LEU H 2.650 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
157 1 21 ARG HG3 1 22 LEU H 3.400 . 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
158 1 21 ARG HG2 1 22 LEU H 3.400 . 5.000 4.173 4.173 4.173 . 0 0 "[ ]" 1
159 1 19 ASP HA 1 23 ILE H 3.400 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
160 1 23 ILE H 1 23 ILE HA 2.650 . 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
161 1 23 ILE H 1 23 ILE HB 2.300 . 2.800 2.248 2.248 2.248 . 0 0 "[ ]" 1
162 1 23 ILE H 1 23 ILE HG13 2.300 . 2.800 2.245 2.245 2.245 . 0 0 "[ ]" 1
163 1 23 ILE H 1 23 ILE HG12 2.650 . 3.500 3.552 3.552 3.552 0.052 1 0 "[ ]" 1
164 1 22 LEU HA 1 23 ILE H 2.650 . 3.500 3.556 3.556 3.556 0.056 1 0 "[ ]" 1
165 1 22 LEU HB3 1 23 ILE H 2.650 . 3.500 3.433 3.433 3.433 . 0 0 "[ ]" 1
166 1 23 ILE H 1 24 ARG H 2.650 . 3.500 2.800 2.800 2.800 . 0 0 "[ ]" 1
167 1 20 VAL HA 1 23 ILE H 2.650 . 3.500 3.329 3.329 3.329 . 0 0 "[ ]" 1
168 1 24 ARG H 1 25 GLU H 2.650 . 3.500 2.509 2.509 2.509 . 0 0 "[ ]" 1
169 1 23 ILE HA 1 24 ARG H 3.400 . 5.000 3.590 3.590 3.590 . 0 0 "[ ]" 1
170 1 23 ILE MG 1 24 ARG H 3.650 . 5.500 3.065 3.065 3.065 . 0 0 "[ ]" 1
171 1 21 ARG HA 1 24 ARG H 3.400 . 5.000 3.917 3.917 3.917 . 0 0 "[ ]" 1
172 1 24 ARG H 1 24 ARG HA 2.650 . 3.500 2.919 2.919 2.919 . 0 0 "[ ]" 1
173 1 24 ARG H 1 24 ARG HD3 2.650 . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 1
174 1 24 ARG H 1 24 ARG HD2 3.400 . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
175 1 24 ARG H 1 24 ARG HG2 2.650 . 3.500 2.248 2.248 2.248 . 0 0 "[ ]" 1
176 1 20 VAL MG1 1 24 ARG H 3.650 . 5.500 3.777 3.777 3.777 . 0 0 "[ ]" 1
177 1 25 GLU H 1 25 GLU HA 2.650 . 3.500 2.888 2.888 2.888 . 0 0 "[ ]" 1
178 1 25 GLU H 1 25 GLU QB 2.450 . 3.100 2.078 2.078 2.078 . 0 0 "[ ]" 1
179 1 25 GLU H 1 25 GLU HG3 2.650 . 3.500 2.773 2.773 2.773 . 0 0 "[ ]" 1
180 1 25 GLU H 1 26 GLN H 2.650 . 3.500 2.659 2.659 2.659 . 0 0 "[ ]" 1
181 1 21 ARG HA 1 25 GLU H 3.400 . 5.000 4.193 4.193 4.193 . 0 0 "[ ]" 1
182 1 24 ARG QB 1 25 GLU H 2.800 . 3.800 2.716 2.716 2.716 . 0 0 "[ ]" 1
183 1 24 ARG HG2 1 25 GLU H 3.400 . 5.000 4.351 4.351 4.351 . 0 0 "[ ]" 1
184 1 25 GLU QB 1 26 GLN H 2.800 . 3.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
185 1 26 GLN H 1 27 HIS HD2 3.400 . 5.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
186 1 26 GLN H 1 26 GLN HA 2.650 . 3.500 2.930 2.930 2.930 . 0 0 "[ ]" 1
187 1 26 GLN H 1 26 GLN HB3 2.650 . 3.500 3.478 3.478 3.478 . 0 0 "[ ]" 1
188 1 26 GLN H 1 26 GLN HB2 2.650 . 3.500 2.133 2.133 2.133 . 0 0 "[ ]" 1
189 1 26 GLN H 1 26 GLN HG3 2.650 . 3.500 3.360 3.360 3.360 . 0 0 "[ ]" 1
190 1 27 HIS H 1 27 HIS HA 2.650 . 3.500 3.008 3.008 3.008 . 0 0 "[ ]" 1
191 1 27 HIS H 1 27 HIS HB3 3.400 . 5.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
192 1 27 HIS H 1 27 HIS HB2 2.650 . 3.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
193 1 27 HIS H 1 27 HIS HD2 2.650 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
194 1 23 ILE HA 1 27 HIS H 2.650 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
195 1 23 ILE MG 1 27 HIS H 3.650 . 5.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
196 1 26 GLN HB3 1 27 HIS H 2.650 . 3.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
197 1 26 GLN HB2 1 27 HIS H 2.650 . 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
198 1 26 GLN HG3 1 27 HIS H 3.400 . 5.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
199 1 26 GLN HG2 1 27 HIS H 3.400 . 5.000 4.638 4.638 4.638 . 0 0 "[ ]" 1
200 1 26 GLN H 1 27 HIS H 2.650 . 3.500 2.512 2.512 2.512 . 0 0 "[ ]" 1
201 1 24 ARG HA 1 27 HIS H 2.650 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
202 1 27 HIS HB3 1 30 LYS H 2.650 . 3.500 3.607 3.607 3.607 0.107 1 0 "[ ]" 1
203 1 27 HIS HB2 1 30 LYS H 3.400 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
204 1 30 LYS H 1 30 LYS HA 2.650 . 3.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
205 1 30 LYS H 1 30 LYS HB2 2.650 . 3.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
206 1 30 LYS H 1 30 LYS QG 3.550 . 5.300 3.213 3.213 3.213 . 0 0 "[ ]" 1
207 1 29 THR HA 1 30 LYS H 2.650 . 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
208 1 29 THR HB 1 30 LYS H 3.400 . 5.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
209 1 29 THR H 1 30 LYS H 2.650 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
210 1 31 ILE H 1 56 ASP HA 3.400 . 5.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
211 1 31 ILE H 1 56 ASP H 3.400 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
212 1 31 ILE H 1 31 ILE HA 2.650 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
213 1 31 ILE H 1 31 ILE HB 2.300 . 2.800 2.541 2.541 2.541 . 0 0 "[ ]" 1
214 1 31 ILE H 1 31 ILE HG13 2.650 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
215 1 31 ILE H 1 31 ILE HG12 2.650 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
216 1 31 ILE H 1 31 ILE MG 3.650 . 5.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
217 1 30 LYS HA 1 31 ILE H 2.300 . 2.800 2.505 2.505 2.505 . 0 0 "[ ]" 1
218 1 31 ILE H 1 53 LEU HB3 3.400 . 5.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
219 1 31 ILE H 1 32 PRO HD3 3.400 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
220 1 31 ILE H 1 55 PRO HA 2.650 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
221 1 31 ILE H 1 54 VAL HB 3.400 . 5.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
222 1 31 ILE H 1 54 VAL MG1 3.650 . 5.500 4.006 4.006 4.006 . 0 0 "[ ]" 1
223 1 33 VAL H 1 108 PHE QD 3.650 . 5.500 3.549 3.549 3.549 . 0 0 "[ ]" 1
224 1 33 VAL H 1 52 PHE QD 3.650 . 5.500 4.171 4.171 4.171 . 0 0 "[ ]" 1
225 1 33 VAL H 1 34 ILE MD 4.150 . 6.500 3.872 3.872 3.872 . 0 0 "[ ]" 1
226 1 33 VAL H 1 53 LEU HA 3.400 . 5.000 3.148 3.148 3.148 . 0 0 "[ ]" 1
227 1 33 VAL H 1 53 LEU MD2 3.650 . 5.500 3.304 3.304 3.304 . 0 0 "[ ]" 1
228 1 32 PRO HA 1 33 VAL H 2.300 . 2.800 2.337 2.337 2.337 . 0 0 "[ ]" 1
229 1 32 PRO HB3 1 33 VAL H 3.400 . 5.000 3.798 3.798 3.798 . 0 0 "[ ]" 1
230 1 32 PRO HB2 1 33 VAL H 3.400 . 5.000 3.108 3.108 3.108 . 0 0 "[ ]" 1
231 1 33 VAL H 1 33 VAL HA 2.650 . 3.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
232 1 33 VAL H 1 33 VAL HB 2.650 . 3.500 2.663 2.663 2.663 . 0 0 "[ ]" 1
233 1 33 VAL H 1 33 VAL MG2 2.900 . 4.000 2.870 2.870 2.870 . 0 0 "[ ]" 1
234 1 34 ILE H 1 108 PHE QD 3.650 . 5.500 4.267 4.267 4.267 . 0 0 "[ ]" 1
235 1 34 ILE H 1 34 ILE HA 2.650 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
236 1 34 ILE H 1 34 ILE HB 2.650 . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
237 1 34 ILE H 1 34 ILE MD 3.650 . 5.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
238 1 34 ILE H 1 34 ILE HG13 3.400 . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
239 1 34 ILE H 1 34 ILE HG12 2.650 . 3.500 2.828 2.828 2.828 . 0 0 "[ ]" 1
240 1 34 ILE H 1 34 ILE MG 3.650 . 5.500 3.865 3.865 3.865 . 0 0 "[ ]" 1
241 1 34 ILE H 1 109 LEU H 3.400 . 5.000 3.323 3.323 3.323 . 0 0 "[ ]" 1
242 1 34 ILE H 1 111 MET H 3.400 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1
243 1 33 VAL HA 1 34 ILE H 2.300 . 2.800 2.256 2.256 2.256 . 0 0 "[ ]" 1
244 1 33 VAL HB 1 34 ILE H 3.400 . 5.000 4.071 4.071 4.071 . 0 0 "[ ]" 1
245 1 33 VAL MG1 1 34 ILE H 2.900 . 4.000 2.400 2.400 2.400 . 0 0 "[ ]" 1
246 1 34 ILE H 1 110 TYR HA 2.650 . 3.500 3.220 3.220 3.220 . 0 0 "[ ]" 1
247 1 34 ILE H 1 110 TYR QD 3.650 . 5.500 4.261 4.261 4.261 . 0 0 "[ ]" 1
248 1 35 ILE H 1 52 PHE QD 3.650 . 5.500 4.165 4.165 4.165 . 0 0 "[ ]" 1
249 1 34 ILE MD 1 35 ILE H 3.650 . 5.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
250 1 34 ILE MG 1 35 ILE H 3.650 . 5.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
251 1 35 ILE H 1 35 ILE HB 2.650 . 3.500 2.398 2.398 2.398 . 0 0 "[ ]" 1
252 1 35 ILE H 1 35 ILE MD 3.650 . 5.500 3.674 3.674 3.674 . 0 0 "[ ]" 1
253 1 35 ILE H 1 35 ILE HG13 2.650 . 3.500 2.789 2.789 2.789 . 0 0 "[ ]" 1
254 1 35 ILE H 1 35 ILE MG 3.650 . 5.500 3.755 3.755 3.755 . 0 0 "[ ]" 1
255 1 35 ILE H 1 50 THR MG 3.650 . 5.500 3.638 3.638 3.638 . 0 0 "[ ]" 1
256 1 36 GLU H 1 36 GLU HB3 2.650 . 3.500 3.585 3.585 3.585 0.085 1 0 "[ ]" 1
257 1 36 GLU H 1 36 GLU HB2 2.650 . 3.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
258 1 36 GLU H 1 36 GLU QG 2.800 . 3.800 3.376 3.376 3.376 . 0 0 "[ ]" 1
259 1 34 ILE MG 1 36 GLU H 4.150 . 6.500 4.790 4.790 4.790 . 0 0 "[ ]" 1
260 1 35 ILE HA 1 36 GLU H 2.300 . 2.800 2.232 2.232 2.232 . 0 0 "[ ]" 1
261 1 35 ILE MD 1 36 GLU H 4.150 . 6.500 5.053 5.053 5.053 . 0 0 "[ ]" 1
262 1 35 ILE MG 1 36 GLU H 3.650 . 5.500 2.439 2.439 2.439 . 0 0 "[ ]" 1
263 1 36 GLU H 1 112 VAL HA 2.650 . 3.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
264 1 36 GLU H 1 112 VAL MG1 3.650 . 5.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
265 1 36 GLU H 1 113 TYR QD 3.650 . 5.500 4.272 4.272 4.272 . 0 0 "[ ]" 1
266 1 36 GLU H 1 113 TYR QE 4.150 . 6.500 4.236 4.236 4.236 . 0 0 "[ ]" 1
267 1 36 GLU HA 1 37 ARG H 2.300 . 2.800 2.705 2.705 2.705 . 0 0 "[ ]" 1
268 1 36 GLU HB3 1 37 ARG H 2.650 . 3.500 2.076 2.076 2.076 . 0 0 "[ ]" 1
269 1 36 GLU HB2 1 37 ARG H 2.650 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
270 1 37 ARG H 1 37 ARG HA 2.650 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
271 1 37 ARG H 1 37 ARG HB3 2.650 . 3.500 2.573 2.573 2.573 . 0 0 "[ ]" 1
272 1 37 ARG H 1 37 ARG HB2 2.650 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
273 1 37 ARG H 1 37 ARG QG 3.550 . 5.300 2.096 2.096 2.096 . 0 0 "[ ]" 1
274 1 37 ARG H 1 50 THR MG 4.150 . 6.500 5.183 5.183 5.183 . 0 0 "[ ]" 1
275 1 37 ARG H 1 113 TYR QE 3.650 . 5.500 4.026 4.026 4.026 . 0 0 "[ ]" 1
276 1 37 ARG HB2 1 38 TYR H 2.650 . 3.500 3.143 3.143 3.143 . 0 0 "[ ]" 1
277 1 38 TYR H 1 112 VAL HA 3.400 . 5.000 4.710 4.710 4.710 . 0 0 "[ ]" 1
278 1 38 TYR H 1 112 VAL HB 2.650 . 3.500 3.226 3.226 3.226 . 0 0 "[ ]" 1
279 1 38 TYR H 1 112 VAL MG2 3.650 . 5.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
280 1 38 TYR H 1 113 TYR QD 3.650 . 5.500 3.867 3.867 3.867 . 0 0 "[ ]" 1
281 1 38 TYR H 1 113 TYR QE 4.150 . 6.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
282 1 38 TYR H 1 113 TYR H 2.650 . 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 1
283 1 38 TYR H 1 38 TYR HA 2.650 . 3.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
284 1 38 TYR H 1 38 TYR HB3 2.650 . 3.500 2.403 2.403 2.403 . 0 0 "[ ]" 1
285 1 38 TYR H 1 38 TYR HB2 2.300 . 2.800 2.532 2.532 2.532 . 0 0 "[ ]" 1
286 1 38 TYR H 1 38 TYR QD 3.650 . 5.500 4.159 4.159 4.159 . 0 0 "[ ]" 1
287 1 39 LYS H 1 40 GLY H 3.400 . 5.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
288 1 39 LYS H 1 39 LYS HA 2.650 . 3.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
289 1 39 LYS H 1 39 LYS HB3 2.650 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
290 1 39 LYS H 1 39 LYS HB2 2.650 . 3.500 2.267 2.267 2.267 . 0 0 "[ ]" 1
291 1 39 LYS H 1 39 LYS QG 3.550 . 5.300 2.291 2.291 2.291 . 0 0 "[ ]" 1
292 1 38 TYR HA 1 39 LYS H 2.300 . 2.800 2.234 2.234 2.234 . 0 0 "[ ]" 1
293 1 38 TYR HB3 1 39 LYS H 3.400 . 5.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
294 1 38 TYR HB2 1 39 LYS H 3.400 . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
295 1 38 TYR QD 1 39 LYS H 2.900 . 4.000 2.272 2.272 2.272 . 0 0 "[ ]" 1
296 1 38 TYR QE 1 39 LYS H 3.650 . 5.500 3.658 3.658 3.658 . 0 0 "[ ]" 1
297 1 38 TYR QD 1 40 GLY H 4.150 . 6.500 3.254 3.254 3.254 . 0 0 "[ ]" 1
298 1 41 GLU H 1 114 ALA MB 3.650 . 5.500 3.990 3.990 3.990 . 0 0 "[ ]" 1
299 1 41 GLU H 1 41 GLU HA 2.650 . 3.500 2.999 2.999 2.999 . 0 0 "[ ]" 1
300 1 41 GLU H 1 41 GLU HB3 2.650 . 3.500 2.655 2.655 2.655 . 0 0 "[ ]" 1
301 1 41 GLU H 1 41 GLU HB2 2.650 . 3.500 2.702 2.702 2.702 . 0 0 "[ ]" 1
302 1 41 GLU H 1 41 GLU QG 3.550 . 5.300 4.074 4.074 4.074 . 0 0 "[ ]" 1
303 1 40 GLY HA3 1 41 GLU H 2.650 . 3.500 2.896 2.896 2.896 . 0 0 "[ ]" 1
304 1 40 GLY HA2 1 41 GLU H 2.650 . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
305 1 40 GLY H 1 41 GLU H 2.650 . 3.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
306 1 39 LYS HA 1 41 GLU H 3.400 . 5.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
307 1 38 TYR HB3 1 41 GLU H 3.400 . 5.000 2.752 2.752 2.752 . 0 0 "[ ]" 1
308 1 38 TYR HB2 1 41 GLU H 3.400 . 5.000 4.228 4.228 4.228 . 0 0 "[ ]" 1
309 1 38 TYR QD 1 41 GLU H 2.900 . 4.000 2.397 2.397 2.397 . 0 0 "[ ]" 1
310 1 38 TYR QE 1 41 GLU H 3.650 . 5.500 3.581 3.581 3.581 . 0 0 "[ ]" 1
311 1 42 LYS H 1 42 LYS HB2 3.400 . 5.000 2.222 2.222 2.222 . 0 0 "[ ]" 1
312 1 42 LYS H 1 42 LYS HG2 3.400 . 5.000 3.552 3.552 3.552 . 0 0 "[ ]" 1
313 1 43 GLN H 1 43 GLN HA 2.650 . 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
314 1 43 GLN H 1 43 GLN HB3 2.650 . 3.500 3.622 3.622 3.622 0.122 1 0 "[ ]" 1
315 1 43 GLN H 1 43 GLN HB2 2.650 . 3.500 2.630 2.630 2.630 . 0 0 "[ ]" 1
316 1 44 LEU H 1 44 LEU HA 2.650 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1
317 1 44 LEU H 1 44 LEU HB3 2.650 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
318 1 44 LEU H 1 44 LEU HB2 2.650 . 3.500 2.184 2.184 2.184 . 0 0 "[ ]" 1
319 1 44 LEU H 1 44 LEU MD2 3.650 . 5.500 3.908 3.908 3.908 . 0 0 "[ ]" 1
320 1 44 LEU H 1 44 LEU HG 2.650 . 3.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
321 1 43 GLN HA 1 44 LEU H 3.400 . 5.000 3.584 3.584 3.584 . 0 0 "[ ]" 1
322 1 43 GLN HB3 1 44 LEU H 2.650 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
323 1 43 GLN HG3 1 44 LEU H 2.650 . 3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 1
324 1 43 GLN H 1 44 LEU H 2.650 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
325 1 45 PRO HA 1 46 VAL H 2.300 . 2.800 2.684 2.684 2.684 . 0 0 "[ ]" 1
326 1 45 PRO HB3 1 46 VAL H 2.650 . 3.500 3.320 3.320 3.320 . 0 0 "[ ]" 1
327 1 46 VAL H 1 46 VAL HA 2.650 . 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
328 1 46 VAL H 1 46 VAL HB 2.300 . 2.800 2.330 2.330 2.330 . 0 0 "[ ]" 1
329 1 46 VAL H 1 46 VAL MG2 2.900 . 4.000 2.160 2.160 2.160 . 0 0 "[ ]" 1
330 1 47 LEU H 1 47 LEU HA 2.650 . 3.500 2.882 2.882 2.882 . 0 0 "[ ]" 1
331 1 47 LEU H 1 47 LEU HB3 2.650 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
332 1 47 LEU H 1 47 LEU HB2 2.300 . 2.800 2.091 2.091 2.091 . 0 0 "[ ]" 1
333 1 46 VAL HA 1 47 LEU H 2.300 . 2.800 2.216 2.216 2.216 . 0 0 "[ ]" 1
334 1 47 LEU H 1 113 TYR QE 3.650 . 5.500 3.984 3.984 3.984 . 0 0 "[ ]" 1
335 1 48 ASP H 1 48 ASP HB3 2.650 . 3.500 3.244 3.244 3.244 . 0 0 "[ ]" 1
336 1 48 ASP H 1 48 ASP HB2 2.650 . 3.500 1.957 1.957 1.957 . 0 0 "[ ]" 1
337 1 48 ASP H 1 49 LYS H 2.650 . 3.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
338 1 47 LEU HA 1 48 ASP H 2.300 . 2.800 2.475 2.475 2.475 . 0 0 "[ ]" 1
339 1 47 LEU HB3 1 48 ASP H 2.650 . 3.500 3.197 3.197 3.197 . 0 0 "[ ]" 1
340 1 47 LEU HB2 1 48 ASP H 3.400 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
341 1 48 ASP H 1 71 LEU HG 3.400 . 5.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
342 1 48 ASP HA 1 49 LYS H 2.650 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
343 1 48 ASP HB3 1 49 LYS H 3.400 . 5.000 3.168 3.168 3.168 . 0 0 "[ ]" 1
344 1 48 ASP HB2 1 49 LYS H 3.400 . 5.000 3.246 3.246 3.246 . 0 0 "[ ]" 1
345 1 49 LYS H 1 49 LYS HA 2.650 . 3.500 2.984 2.984 2.984 . 0 0 "[ ]" 1
346 1 49 LYS H 1 49 LYS QB 2.800 . 3.800 2.503 2.503 2.503 . 0 0 "[ ]" 1
347 1 49 LYS H 1 49 LYS HD3 3.400 . 5.000 4.969 4.969 4.969 . 0 0 "[ ]" 1
348 1 49 LYS H 1 49 LYS HD2 3.400 . 5.000 3.669 3.669 3.669 . 0 0 "[ ]" 1
349 1 47 LEU HB3 1 49 LYS H 2.300 . 2.800 2.625 2.625 2.625 . 0 0 "[ ]" 1
350 1 47 LEU HB2 1 49 LYS H 3.400 . 5.000 4.318 4.318 4.318 . 0 0 "[ ]" 1
351 1 49 LYS H 1 71 LEU MD2 4.150 . 6.500 5.211 5.211 5.211 . 0 0 "[ ]" 1
352 1 49 LYS HA 1 50 THR H 2.650 . 3.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
353 1 49 LYS QB 1 50 THR H 3.550 . 5.300 2.806 2.806 2.806 . 0 0 "[ ]" 1
354 1 49 LYS HG2 1 50 THR H 3.400 . 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
355 1 50 THR H 1 50 THR HA 2.650 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
356 1 50 THR H 1 50 THR HB 2.650 . 3.500 2.537 2.537 2.537 . 0 0 "[ ]" 1
357 1 50 THR H 1 50 THR MG 3.650 . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
358 1 34 ILE MD 1 51 LYS H 3.650 . 5.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
359 1 49 LYS HA 1 51 LYS H 3.400 . 5.000 4.209 4.209 4.209 . 0 0 "[ ]" 1
360 1 49 LYS HG3 1 51 LYS H 3.400 . 5.000 4.054 4.054 4.054 . 0 0 "[ ]" 1
361 1 49 LYS HG2 1 51 LYS H 3.400 . 5.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
362 1 51 LYS H 1 51 LYS HB3 2.650 . 3.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
363 1 51 LYS H 1 51 LYS HB2 2.650 . 3.500 3.155 3.155 3.155 . 0 0 "[ ]" 1
364 1 51 LYS H 1 51 LYS HG2 3.400 . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 1
365 1 50 THR HA 1 51 LYS H 2.650 . 3.500 3.538 3.538 3.538 0.038 1 0 "[ ]" 1
366 1 50 THR HB 1 51 LYS H 2.650 . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
367 1 50 THR H 1 51 LYS H 2.650 . 3.500 1.955 1.955 1.955 . 0 0 "[ ]" 1
368 1 52 PHE H 1 52 PHE HA 2.650 . 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
369 1 52 PHE H 1 52 PHE HB3 3.400 . 5.000 3.813 3.813 3.813 . 0 0 "[ ]" 1
370 1 52 PHE H 1 52 PHE HB2 2.650 . 3.500 3.405 3.405 3.405 . 0 0 "[ ]" 1
371 1 52 PHE H 1 52 PHE QD 2.900 . 4.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
372 1 34 ILE MD 1 52 PHE H 3.650 . 5.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
373 1 51 LYS HA 1 52 PHE H 2.650 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
374 1 51 LYS HB3 1 52 PHE H 3.400 . 5.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
375 1 51 LYS HB2 1 52 PHE H 3.400 . 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
376 1 51 LYS HG3 1 52 PHE H 3.400 . 5.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
377 1 33 VAL HB 1 52 PHE H 3.400 . 5.000 2.988 2.988 2.988 . 0 0 "[ ]" 1
378 1 33 VAL MG1 1 52 PHE H 3.650 . 5.500 3.753 3.753 3.753 . 0 0 "[ ]" 1
379 1 33 VAL H 1 52 PHE H 2.650 . 3.500 3.069 3.069 3.069 . 0 0 "[ ]" 1
380 1 52 PHE HA 1 53 LEU H 2.300 . 2.800 2.280 2.280 2.280 . 0 0 "[ ]" 1
381 1 52 PHE HB3 1 53 LEU H 2.650 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
382 1 52 PHE HB2 1 53 LEU H 2.650 . 3.500 3.367 3.367 3.367 . 0 0 "[ ]" 1
383 1 52 PHE QD 1 53 LEU H 3.650 . 5.500 4.811 4.811 4.811 . 0 0 "[ ]" 1
384 1 53 LEU H 1 53 LEU HB3 3.400 . 5.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
385 1 53 LEU H 1 53 LEU HB2 2.650 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
386 1 53 LEU H 1 53 LEU MD1 3.650 . 5.500 3.411 3.411 3.411 . 0 0 "[ ]" 1
387 1 53 LEU H 1 53 LEU MD2 3.650 . 5.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
388 1 53 LEU H 1 53 LEU HG 2.650 . 3.500 2.141 2.141 2.141 . 0 0 "[ ]" 1
389 1 31 ILE MG 1 54 VAL H 3.650 . 5.500 4.563 4.563 4.563 . 0 0 "[ ]" 1
390 1 31 ILE H 1 54 VAL H 2.650 . 3.500 2.886 2.886 2.886 . 0 0 "[ ]" 1
391 1 30 LYS HB2 1 54 VAL H 3.400 . 5.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
392 1 53 LEU HA 1 54 VAL H 2.650 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
393 1 53 LEU HB3 1 54 VAL H 2.650 . 3.500 2.658 2.658 2.658 . 0 0 "[ ]" 1
394 1 53 LEU HB2 1 54 VAL H 2.650 . 3.500 3.640 3.640 3.640 0.140 1 0 "[ ]" 1
395 1 53 LEU MD2 1 54 VAL H 3.650 . 5.500 3.593 3.593 3.593 . 0 0 "[ ]" 1
396 1 32 PRO HA 1 54 VAL H 2.650 . 3.500 3.500 3.500 3.500 0.000 1 0 "[ ]" 1
397 1 54 VAL H 1 54 VAL HA 2.650 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
398 1 54 VAL H 1 54 VAL HB 2.650 . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
399 1 54 VAL H 1 54 VAL MG2 2.900 . 4.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
400 1 56 ASP H 1 56 ASP HA 2.650 . 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
401 1 56 ASP H 1 56 ASP HB3 2.650 . 3.500 2.529 2.529 2.529 . 0 0 "[ ]" 1
402 1 56 ASP H 1 56 ASP HB2 2.650 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
403 1 56 ASP H 1 57 HIS H 2.650 . 3.500 2.705 2.705 2.705 . 0 0 "[ ]" 1
404 1 31 ILE MD 1 56 ASP H 4.150 . 6.500 4.360 4.360 4.360 . 0 0 "[ ]" 1
405 1 31 ILE HG13 1 56 ASP H 2.650 . 3.500 3.377 3.377 3.377 . 0 0 "[ ]" 1
406 1 56 ASP H 1 95 ILE MG 3.650 . 5.500 4.265 4.265 4.265 . 0 0 "[ ]" 1
407 1 30 LYS HA 1 56 ASP H 2.650 . 3.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
408 1 55 PRO HA 1 56 ASP H 2.300 . 2.800 2.228 2.228 2.228 . 0 0 "[ ]" 1
409 1 55 PRO HB2 1 56 ASP H 2.650 . 3.500 3.405 3.405 3.405 . 0 0 "[ ]" 1
410 1 56 ASP HA 1 57 HIS H 2.650 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
411 1 56 ASP HB3 1 57 HIS H 3.400 . 5.000 3.008 3.008 3.008 . 0 0 "[ ]" 1
412 1 56 ASP HB2 1 57 HIS H 3.400 . 5.000 4.053 4.053 4.053 . 0 0 "[ ]" 1
413 1 57 HIS H 1 57 HIS HA 2.650 . 3.500 2.957 2.957 2.957 . 0 0 "[ ]" 1
414 1 57 HIS H 1 57 HIS HB3 2.650 . 3.500 2.518 2.518 2.518 . 0 0 "[ ]" 1
415 1 57 HIS H 1 57 HIS HB2 2.650 . 3.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
416 1 55 PRO HB2 1 57 HIS H 2.650 . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
417 1 57 HIS H 1 58 VAL MG1 4.150 . 6.500 5.264 5.264 5.264 . 0 0 "[ ]" 1
418 1 57 HIS H 1 58 VAL MG2 3.650 . 5.500 4.444 4.444 4.444 . 0 0 "[ ]" 1
419 1 56 ASP HA 1 58 VAL H 3.400 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
420 1 57 HIS HA 1 58 VAL H 2.650 . 3.500 3.196 3.196 3.196 . 0 0 "[ ]" 1
421 1 57 HIS HB2 1 58 VAL H 3.400 . 5.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
422 1 57 HIS H 1 58 VAL H 2.650 . 3.500 2.767 2.767 2.767 . 0 0 "[ ]" 1
423 1 55 PRO HB2 1 58 VAL H 3.400 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
424 1 58 VAL H 1 58 VAL HA 2.650 . 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
425 1 58 VAL H 1 58 VAL HB 2.650 . 3.500 2.119 2.119 2.119 . 0 0 "[ ]" 1
426 1 58 VAL H 1 58 VAL MG1 2.900 . 4.000 3.222 3.222 3.222 . 0 0 "[ ]" 1
427 1 58 VAL H 1 58 VAL MG2 2.900 . 4.000 3.353 3.353 3.353 . 0 0 "[ ]" 1
428 1 59 ASN H 1 62 GLU HB3 2.650 . 3.500 3.166 3.166 3.166 . 0 0 "[ ]" 1
429 1 59 ASN H 1 60 MET H 3.400 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
430 1 59 ASN H 1 59 ASN HA 2.650 . 3.500 3.006 3.006 3.006 . 0 0 "[ ]" 1
431 1 59 ASN H 1 59 ASN HB3 3.400 . 5.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
432 1 59 ASN H 1 59 ASN HB2 2.650 . 3.500 2.490 2.490 2.490 . 0 0 "[ ]" 1
433 1 58 VAL HA 1 59 ASN H 2.300 . 2.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
434 1 58 VAL MG1 1 59 ASN H 3.650 . 5.500 1.958 1.958 1.958 . 0 0 "[ ]" 1
435 1 58 VAL MG2 1 59 ASN H 2.900 . 4.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
436 1 60 MET H 1 95 ILE MD 4.150 . 6.500 4.730 4.730 4.730 . 0 0 "[ ]" 1
437 1 60 MET H 1 60 MET HA 2.650 . 3.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
438 1 60 MET H 1 60 MET HB3 2.650 . 3.500 3.529 3.529 3.529 0.029 1 0 "[ ]" 1
439 1 60 MET H 1 60 MET HB2 2.650 . 3.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
440 1 60 MET H 1 60 MET HG3 2.650 . 3.500 2.709 2.709 2.709 . 0 0 "[ ]" 1
441 1 60 MET H 1 60 MET HG2 2.650 . 3.500 2.798 2.798 2.798 . 0 0 "[ ]" 1
442 1 59 ASN HA 1 60 MET H 2.650 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1
443 1 59 ASN HB3 1 60 MET H 2.650 . 3.500 2.358 2.358 2.358 . 0 0 "[ ]" 1
444 1 59 ASN HB2 1 60 MET H 2.650 . 3.500 3.473 3.473 3.473 . 0 0 "[ ]" 1
445 1 60 MET H 1 94 PRO HA 2.650 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
446 1 60 MET H 1 61 SER H 2.650 . 3.500 2.773 2.773 2.773 . 0 0 "[ ]" 1
447 1 60 MET H 1 93 THR HB 3.400 . 5.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
448 1 60 MET H 1 91 VAL HA 3.400 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
449 1 60 MET H 1 91 VAL MG2 4.150 . 6.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
450 1 60 MET HA 1 61 SER H 2.650 . 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 1
451 1 60 MET HB3 1 61 SER H 2.650 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
452 1 60 MET HB2 1 61 SER H 2.650 . 3.500 2.684 2.684 2.684 . 0 0 "[ ]" 1
453 1 59 ASN HA 1 61 SER H 3.400 . 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
454 1 59 ASN HB3 1 61 SER H 2.650 . 3.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
455 1 59 ASN HB2 1 61 SER H 2.650 . 3.500 3.036 3.036 3.036 . 0 0 "[ ]" 1
456 1 61 SER H 1 61 SER HA 2.650 . 3.500 2.834 2.834 2.834 . 0 0 "[ ]" 1
457 1 61 SER H 1 61 SER QB 2.800 . 3.800 2.467 2.467 2.467 . 0 0 "[ ]" 1
458 1 61 SER H 1 92 SER HA 3.400 . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
459 1 61 SER H 1 91 VAL MG2 3.650 . 5.500 2.115 2.115 2.115 . 0 0 "[ ]" 1
460 1 62 GLU H 1 62 GLU HA 2.650 . 3.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
461 1 62 GLU H 1 62 GLU HB3 2.300 . 2.800 2.821 2.821 2.821 0.021 1 0 "[ ]" 1
462 1 62 GLU H 1 62 GLU HB2 2.650 . 3.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
463 1 62 GLU H 1 63 LEU H 2.650 . 3.500 2.687 2.687 2.687 . 0 0 "[ ]" 1
464 1 60 MET HA 1 62 GLU H 3.400 . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
465 1 59 ASN HA 1 62 GLU H 3.400 . 5.000 4.883 4.883 4.883 . 0 0 "[ ]" 1
466 1 59 ASN HB2 1 62 GLU H 3.400 . 5.000 3.175 3.175 3.175 . 0 0 "[ ]" 1
467 1 59 ASN H 1 62 GLU H 2.650 . 3.500 3.223 3.223 3.223 . 0 0 "[ ]" 1
468 1 61 SER QB 1 62 GLU H 2.800 . 3.800 3.212 3.212 3.212 . 0 0 "[ ]" 1
469 1 61 SER H 1 62 GLU H 2.650 . 3.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
470 1 62 GLU HB3 1 63 LEU H 2.650 . 3.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
471 1 63 LEU H 1 64 ILE H 2.650 . 3.500 2.728 2.728 2.728 . 0 0 "[ ]" 1
472 1 63 LEU H 1 63 LEU HA 2.650 . 3.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
473 1 63 LEU H 1 63 LEU HB3 2.650 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
474 1 63 LEU H 1 63 LEU HB2 2.650 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
475 1 63 LEU H 1 63 LEU HG 3.400 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
476 1 60 MET HA 1 63 LEU H 2.650 . 3.500 3.420 3.420 3.420 . 0 0 "[ ]" 1
477 1 64 ILE H 1 64 ILE HA 2.650 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
478 1 64 ILE H 1 64 ILE HB 2.300 . 2.800 2.221 2.221 2.221 . 0 0 "[ ]" 1
479 1 64 ILE H 1 65 LYS H 2.650 . 3.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
480 1 61 SER HA 1 64 ILE H 2.650 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
481 1 62 GLU HA 1 65 LYS H 2.650 . 3.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
482 1 64 ILE HA 1 65 LYS H 2.650 . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
483 1 64 ILE HB 1 65 LYS H 2.300 . 2.800 2.630 2.630 2.630 . 0 0 "[ ]" 1
484 1 64 ILE MG 1 65 LYS H 3.650 . 5.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
485 1 65 LYS H 1 65 LYS HA 2.650 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
486 1 65 LYS H 1 65 LYS HG3 2.650 . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
487 1 65 LYS H 1 65 LYS HG2 2.650 . 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 1
488 1 66 ILE H 1 66 ILE HA 2.650 . 3.500 2.899 2.899 2.899 . 0 0 "[ ]" 1
489 1 66 ILE H 1 66 ILE HB 2.300 . 2.800 2.232 2.232 2.232 . 0 0 "[ ]" 1
490 1 66 ILE H 1 66 ILE MD 2.900 . 4.000 3.140 3.140 3.140 . 0 0 "[ ]" 1
491 1 66 ILE H 1 66 ILE HG13 2.650 . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
492 1 65 LYS HA 1 66 ILE H 3.400 . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
493 1 65 LYS HB2 1 66 ILE H 2.300 . 2.800 2.793 2.793 2.793 . 0 0 "[ ]" 1
494 1 65 LYS H 1 66 ILE H 2.650 . 3.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
495 1 63 LEU HA 1 66 ILE H 2.650 . 3.500 3.536 3.536 3.536 0.036 1 0 "[ ]" 1
496 1 66 ILE HA 1 67 ILE H 2.650 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
497 1 66 ILE HB 1 67 ILE H 2.650 . 3.500 2.634 2.634 2.634 . 0 0 "[ ]" 1
498 1 66 ILE MG 1 67 ILE H 2.900 . 4.000 3.201 3.201 3.201 . 0 0 "[ ]" 1
499 1 66 ILE H 1 67 ILE H 2.650 . 3.500 2.584 2.584 2.584 . 0 0 "[ ]" 1
500 1 67 ILE H 1 67 ILE HA 2.650 . 3.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
501 1 67 ILE H 1 67 ILE HB 2.650 . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 1
502 1 67 ILE H 1 67 ILE MD 3.650 . 5.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
503 1 67 ILE H 1 67 ILE HG13 2.650 . 3.500 2.055 2.055 2.055 . 0 0 "[ ]" 1
504 1 67 ILE H 1 67 ILE HG12 2.650 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
505 1 67 ILE H 1 67 ILE MG 3.650 . 5.500 3.726 3.726 3.726 . 0 0 "[ ]" 1
506 1 63 LEU HA 1 67 ILE H 3.400 . 5.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
507 1 63 LEU MD1 1 67 ILE H 3.650 . 5.500 4.305 4.305 4.305 . 0 0 "[ ]" 1
508 1 67 ILE H 1 68 ARG H 2.650 . 3.500 2.700 2.700 2.700 . 0 0 "[ ]" 1
509 1 64 ILE MG 1 68 ARG H 3.650 . 5.500 4.256 4.256 4.256 . 0 0 "[ ]" 1
510 1 67 ILE HA 1 68 ARG H 3.400 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
511 1 67 ILE HB 1 68 ARG H 2.650 . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
512 1 65 LYS HA 1 68 ARG H 3.400 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
513 1 68 ARG H 1 68 ARG HA 2.650 . 3.500 2.890 2.890 2.890 . 0 0 "[ ]" 1
514 1 68 ARG H 1 68 ARG QB 2.800 . 3.800 2.675 2.675 2.675 . 0 0 "[ ]" 1
515 1 68 ARG H 1 68 ARG HD3 3.400 . 5.000 4.480 4.480 4.480 . 0 0 "[ ]" 1
516 1 68 ARG H 1 68 ARG HG3 2.650 . 3.500 2.027 2.027 2.027 . 0 0 "[ ]" 1
517 1 68 ARG H 1 68 ARG HG2 2.650 . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
518 1 68 ARG H 1 69 ARG H 2.650 . 3.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
519 1 66 ILE HA 1 69 ARG H 2.650 . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
520 1 65 LYS HA 1 69 ARG H 3.400 . 5.000 4.824 4.824 4.824 . 0 0 "[ ]" 1
521 1 68 ARG HA 1 69 ARG H 2.650 . 3.500 3.562 3.562 3.562 0.062 1 0 "[ ]" 1
522 1 68 ARG QB 1 69 ARG H 2.800 . 3.800 2.282 2.282 2.282 . 0 0 "[ ]" 1
523 1 68 ARG HG3 1 69 ARG H 2.650 . 3.500 3.613 3.613 3.613 0.113 1 0 "[ ]" 1
524 1 68 ARG HG2 1 69 ARG H 3.400 . 5.000 4.341 4.341 4.341 . 0 0 "[ ]" 1
525 1 69 ARG H 1 69 ARG HA 2.650 . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 1
526 1 69 ARG H 1 69 ARG QB 2.450 . 3.100 2.164 2.164 2.164 . 0 0 "[ ]" 1
527 1 69 ARG H 1 69 ARG QD 3.550 . 5.300 3.677 3.677 3.677 . 0 0 "[ ]" 1
528 1 69 ARG H 1 69 ARG HG3 2.650 . 3.500 2.554 2.554 2.554 . 0 0 "[ ]" 1
529 1 66 ILE HA 1 70 ARG H 3.400 . 5.000 4.181 4.181 4.181 . 0 0 "[ ]" 1
530 1 66 ILE MG 1 70 ARG H 4.150 . 6.500 3.869 3.869 3.869 . 0 0 "[ ]" 1
531 1 67 ILE HA 1 70 ARG H 2.650 . 3.500 3.234 3.234 3.234 . 0 0 "[ ]" 1
532 1 70 ARG H 1 71 LEU H 2.650 . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
533 1 69 ARG QD 1 70 ARG H 3.550 . 5.300 4.760 4.760 4.760 . 0 0 "[ ]" 1
534 1 69 ARG H 1 70 ARG H 2.650 . 3.500 2.585 2.585 2.585 . 0 0 "[ ]" 1
535 1 70 ARG H 1 70 ARG HA 2.650 . 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
536 1 70 ARG H 1 70 ARG QB 2.450 . 3.100 2.158 2.158 2.158 . 0 0 "[ ]" 1
537 1 70 ARG H 1 70 ARG HG2 2.650 . 3.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
538 1 71 LEU H 1 71 LEU HA 2.650 . 3.500 2.974 2.974 2.974 . 0 0 "[ ]" 1
539 1 71 LEU H 1 71 LEU HB2 2.300 . 2.800 2.224 2.224 2.224 . 0 0 "[ ]" 1
540 1 71 LEU H 1 71 LEU MD1 3.650 . 5.500 3.584 3.584 3.584 . 0 0 "[ ]" 1
541 1 71 LEU H 1 71 LEU MD2 3.650 . 5.500 3.864 3.864 3.864 . 0 0 "[ ]" 1
542 1 71 LEU H 1 71 LEU HG 2.300 . 2.800 2.728 2.728 2.728 . 0 0 "[ ]" 1
543 1 68 ARG HA 1 71 LEU H 2.650 . 3.500 3.557 3.557 3.557 0.057 1 0 "[ ]" 1
544 1 70 ARG QB 1 71 LEU H 2.800 . 3.800 2.575 2.575 2.575 . 0 0 "[ ]" 1
545 1 71 LEU HA 1 72 GLN H 2.650 . 3.500 2.613 2.613 2.613 . 0 0 "[ ]" 1
546 1 71 LEU HB3 1 72 GLN H 2.650 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
547 1 72 GLN H 1 72 GLN HA 2.650 . 3.500 3.001 3.001 3.001 . 0 0 "[ ]" 1
548 1 72 GLN H 1 72 GLN HB3 2.650 . 3.500 3.541 3.541 3.541 0.041 1 0 "[ ]" 1
549 1 72 GLN H 1 72 GLN QG 2.800 . 3.800 3.116 3.116 3.116 . 0 0 "[ ]" 1
550 1 73 LEU H 1 73 LEU HA 2.650 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
551 1 73 LEU H 1 73 LEU QB 2.800 . 3.800 3.176 3.176 3.176 . 0 0 "[ ]" 1
552 1 73 LEU H 1 73 LEU MD2 3.650 . 5.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
553 1 73 LEU H 1 73 LEU HG 2.300 . 2.800 2.407 2.407 2.407 . 0 0 "[ ]" 1
554 1 72 GLN HA 1 73 LEU H 2.650 . 3.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
555 1 72 GLN QG 1 73 LEU H 3.550 . 5.300 4.451 4.451 4.451 . 0 0 "[ ]" 1
556 1 72 GLN H 1 73 LEU H 3.400 . 5.000 3.363 3.363 3.363 . 0 0 "[ ]" 1
557 1 68 ARG HA 1 73 LEU H 3.400 . 5.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
558 1 69 ARG HA 1 73 LEU H 3.400 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
559 1 73 LEU HA 1 74 ASN H 2.300 . 2.800 2.745 2.745 2.745 . 0 0 "[ ]" 1
560 1 73 LEU QB 1 74 ASN H 2.800 . 3.800 2.118 2.118 2.118 . 0 0 "[ ]" 1
561 1 73 LEU MD1 1 74 ASN H 3.650 . 5.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
562 1 73 LEU HG 1 74 ASN H 3.400 . 5.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
563 1 74 ASN H 1 74 ASN HA 2.650 . 3.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
564 1 74 ASN H 1 74 ASN HB3 2.650 . 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
565 1 74 ASN H 1 74 ASN HB2 2.650 . 3.500 2.627 2.627 2.627 . 0 0 "[ ]" 1
566 1 74 ASN H 1 77 GLN HB3 2.650 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
567 1 74 ASN H 1 77 GLN HB2 3.400 . 5.000 2.031 2.031 2.031 . 0 0 "[ ]" 1
568 1 74 ASN H 1 77 GLN HG3 3.400 . 5.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
569 1 74 ASN H 1 77 GLN HG2 3.400 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
570 1 74 ASN H 1 77 GLN H 2.650 . 3.500 3.022 3.022 3.022 . 0 0 "[ ]" 1
571 1 75 ALA HA 1 76 ASN H 2.650 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
572 1 75 ALA MB 1 76 ASN H 3.650 . 5.500 2.803 2.803 2.803 . 0 0 "[ ]" 1
573 1 76 ASN H 1 76 ASN HA 2.650 . 3.500 2.912 2.912 2.912 . 0 0 "[ ]" 1
574 1 76 ASN H 1 76 ASN QB 2.800 . 3.800 2.047 2.047 2.047 . 0 0 "[ ]" 1
575 1 76 ASN H 1 77 GLN HB2 3.400 . 5.000 4.297 4.297 4.297 . 0 0 "[ ]" 1
576 1 75 ALA MB 1 77 GLN H 3.650 . 5.500 4.588 4.588 4.588 . 0 0 "[ ]" 1
577 1 73 LEU MD1 1 77 GLN H 4.150 . 6.500 3.585 3.585 3.585 . 0 0 "[ ]" 1
578 1 76 ASN HA 1 77 GLN H 2.650 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
579 1 76 ASN QB 1 77 GLN H 2.800 . 3.800 2.801 2.801 2.801 . 0 0 "[ ]" 1
580 1 76 ASN H 1 77 GLN H 2.650 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
581 1 77 GLN H 1 77 GLN HA 2.650 . 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
582 1 77 GLN H 1 77 GLN HB3 2.650 . 3.500 3.424 3.424 3.424 . 0 0 "[ ]" 1
583 1 77 GLN H 1 77 GLN HB2 2.300 . 2.800 2.055 2.055 2.055 . 0 0 "[ ]" 1
584 1 77 GLN H 1 77 GLN HG3 2.650 . 3.500 3.550 3.550 3.550 0.050 1 0 "[ ]" 1
585 1 77 GLN H 1 77 GLN HG2 3.400 . 5.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
586 1 78 ALA H 1 78 ALA HA 2.650 . 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
587 1 78 ALA H 1 78 ALA MB 2.900 . 4.000 2.755 2.755 2.755 . 0 0 "[ ]" 1
588 1 78 ALA H 1 79 PHE H 3.400 . 5.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
589 1 77 GLN HA 1 78 ALA H 2.650 . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
590 1 77 GLN HB3 1 78 ALA H 3.400 . 5.000 2.277 2.277 2.277 . 0 0 "[ ]" 1
591 1 77 GLN HB2 1 78 ALA H 2.650 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
592 1 77 GLN HG3 1 78 ALA H 3.400 . 5.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
593 1 77 GLN HG2 1 78 ALA H 3.400 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
594 1 77 GLN H 1 78 ALA H 2.650 . 3.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
595 1 78 ALA HA 1 79 PHE H 2.300 . 2.800 2.224 2.224 2.224 . 0 0 "[ ]" 1
596 1 78 ALA MB 1 79 PHE H 2.900 . 4.000 3.302 3.302 3.302 . 0 0 "[ ]" 1
597 1 79 PHE H 1 79 PHE HA 2.650 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
598 1 79 PHE H 1 79 PHE HB3 2.650 . 3.500 3.133 3.133 3.133 . 0 0 "[ ]" 1
599 1 79 PHE H 1 79 PHE HB2 2.650 . 3.500 2.805 2.805 2.805 . 0 0 "[ ]" 1
600 1 73 LEU MD1 1 79 PHE H 4.150 . 6.500 4.406 4.406 4.406 . 0 0 "[ ]" 1
601 1 80 PHE H 1 114 ALA MB 4.150 . 6.500 4.180 4.180 4.180 . 0 0 "[ ]" 1
602 1 79 PHE HA 1 80 PHE H 2.300 . 2.800 2.248 2.248 2.248 . 0 0 "[ ]" 1
603 1 79 PHE HB2 1 80 PHE H 3.400 . 5.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
604 1 80 PHE H 1 80 PHE HB3 3.400 . 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
605 1 80 PHE H 1 80 PHE HB2 2.650 . 3.500 2.625 2.625 2.625 . 0 0 "[ ]" 1
606 1 80 PHE H 1 80 PHE QD 2.900 . 4.000 2.895 2.895 2.895 . 0 0 "[ ]" 1
607 1 80 PHE HA 1 81 LEU H 2.300 . 2.800 2.219 2.219 2.219 . 0 0 "[ ]" 1
608 1 80 PHE HB3 1 81 LEU H 2.650 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
609 1 80 PHE HB2 1 81 LEU H 3.400 . 5.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
610 1 81 LEU H 1 81 LEU HA 2.650 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
611 1 81 LEU H 1 81 LEU HB3 3.400 . 5.000 3.647 3.647 3.647 . 0 0 "[ ]" 1
612 1 81 LEU H 1 81 LEU HB2 2.650 . 3.500 2.428 2.428 2.428 . 0 0 "[ ]" 1
613 1 81 LEU H 1 81 LEU MD1 3.650 . 5.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
614 1 81 LEU H 1 81 LEU HG 2.650 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
615 1 81 LEU H 1 89 VAL MG1 3.650 . 5.500 2.040 2.040 2.040 . 0 0 "[ ]" 1
616 1 81 LEU H 1 89 VAL MG2 3.650 . 5.500 2.079 2.079 2.079 . 0 0 "[ ]" 1
617 1 81 LEU HA 1 82 LEU H 2.300 . 2.800 2.338 2.338 2.338 . 0 0 "[ ]" 1
618 1 81 LEU HB3 1 82 LEU H 3.400 . 5.000 2.899 2.899 2.899 . 0 0 "[ ]" 1
619 1 81 LEU MD2 1 82 LEU H 3.650 . 5.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
620 1 81 LEU HG 1 82 LEU H 3.400 . 5.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
621 1 82 LEU H 1 82 LEU HA 2.650 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
622 1 82 LEU H 1 82 LEU HB3 3.400 . 5.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
623 1 82 LEU H 1 82 LEU MD2 3.650 . 5.500 2.286 2.286 2.286 . 0 0 "[ ]" 1
624 1 82 LEU H 1 82 LEU HG 2.650 . 3.500 2.513 2.513 2.513 . 0 0 "[ ]" 1
625 1 82 LEU H 1 111 MET HA 3.400 . 5.000 5.033 5.033 5.033 0.033 1 0 "[ ]" 1
626 1 82 LEU H 1 111 MET QB 3.550 . 5.300 4.390 4.390 4.390 . 0 0 "[ ]" 1
627 1 82 LEU H 1 112 VAL MG2 3.650 . 5.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
628 1 82 LEU H 1 112 VAL H 2.650 . 3.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
629 1 82 LEU H 1 113 TYR HA 2.650 . 3.500 3.436 3.436 3.436 . 0 0 "[ ]" 1
630 1 83 VAL H 1 86 HIS H 3.400 . 5.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
631 1 83 VAL H 1 87 SER HB2 3.400 . 5.000 2.579 2.579 2.579 . 0 0 "[ ]" 1
632 1 83 VAL H 1 83 VAL HB 2.650 . 3.500 2.516 2.516 2.516 . 0 0 "[ ]" 1
633 1 83 VAL H 1 83 VAL MG2 2.900 . 4.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
634 1 84 ASN H 1 85 GLY H 2.650 . 3.500 2.819 2.819 2.819 . 0 0 "[ ]" 1
635 1 84 ASN H 1 111 MET HA 2.650 . 3.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
636 1 84 ASN H 1 84 ASN HA 2.300 . 2.800 2.351 2.351 2.351 . 0 0 "[ ]" 1
637 1 84 ASN H 1 84 ASN HB3 3.400 . 5.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
638 1 84 ASN H 1 84 ASN HB2 3.400 . 5.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
639 1 84 ASN H 1 112 VAL H 3.400 . 5.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
640 1 83 VAL HA 1 84 ASN H 2.300 . 2.800 2.265 2.265 2.265 . 0 0 "[ ]" 1
641 1 83 VAL HB 1 84 ASN H 3.400 . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
642 1 83 VAL MG1 1 84 ASN H 3.650 . 5.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
643 1 85 GLY H 1 85 GLY HA3 2.650 . 3.500 2.824 2.824 2.824 . 0 0 "[ ]" 1
644 1 85 GLY H 1 85 GLY HA2 2.650 . 3.500 2.339 2.339 2.339 . 0 0 "[ ]" 1
645 1 82 LEU MD1 1 85 GLY H 4.150 . 6.500 3.167 3.167 3.167 . 0 0 "[ ]" 1
646 1 85 GLY H 1 111 MET HA 3.400 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
647 1 84 ASN HA 1 85 GLY H 2.650 . 3.500 3.135 3.135 3.135 . 0 0 "[ ]" 1
648 1 83 VAL HA 1 85 GLY H 3.400 . 5.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
649 1 85 GLY HA2 1 86 HIS H 2.650 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
650 1 85 GLY H 1 86 HIS H 2.650 . 3.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
651 1 86 HIS H 1 86 HIS HA 2.650 . 3.500 2.965 2.965 2.965 . 0 0 "[ ]" 1
652 1 86 HIS H 1 86 HIS HB3 3.400 . 5.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
653 1 86 HIS H 1 86 HIS HB2 2.650 . 3.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
654 1 86 HIS H 1 86 HIS HD2 3.400 . 5.000 4.471 4.471 4.471 . 0 0 "[ ]" 1
655 1 82 LEU HB2 1 86 HIS H 2.650 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
656 1 82 LEU MD1 1 86 HIS H 3.650 . 5.500 2.529 2.529 2.529 . 0 0 "[ ]" 1
657 1 86 HIS HA 1 87 SER H 2.650 . 3.500 2.757 2.757 2.757 . 0 0 "[ ]" 1
658 1 86 HIS HB3 1 87 SER H 3.400 . 5.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
659 1 86 HIS HB2 1 87 SER H 3.400 . 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
660 1 86 HIS H 1 87 SER H 2.650 . 3.500 2.674 2.674 2.674 . 0 0 "[ ]" 1
661 1 87 SER H 1 87 SER HA 2.650 . 3.500 2.972 2.972 2.972 . 0 0 "[ ]" 1
662 1 87 SER H 1 87 SER HB2 2.650 . 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 1
663 1 88 MET H 1 88 MET HB3 3.400 . 5.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
664 1 88 MET H 1 88 MET HB2 2.650 . 3.500 2.194 2.194 2.194 . 0 0 "[ ]" 1
665 1 88 MET H 1 88 MET QG 3.550 . 5.300 3.708 3.708 3.708 . 0 0 "[ ]" 1
666 1 87 SER HA 1 88 MET H 2.650 . 3.500 2.569 2.569 2.569 . 0 0 "[ ]" 1
667 1 87 SER HB2 1 88 MET H 3.400 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
668 1 88 MET H 1 89 VAL H 3.400 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
669 1 88 MET HA 1 89 VAL H 2.650 . 3.500 2.702 2.702 2.702 . 0 0 "[ ]" 1
670 1 88 MET HB2 1 89 VAL H 3.400 . 5.000 3.750 3.750 3.750 . 0 0 "[ ]" 1
671 1 88 MET QG 1 89 VAL H 3.550 . 5.300 2.433 2.433 2.433 . 0 0 "[ ]" 1
672 1 89 VAL H 1 89 VAL HA 2.650 . 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
673 1 89 VAL H 1 89 VAL HB 2.650 . 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
674 1 89 VAL H 1 89 VAL MG2 2.900 . 4.000 2.158 2.158 2.158 . 0 0 "[ ]" 1
675 1 90 SER H 1 90 SER HA 2.650 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
676 1 89 VAL HA 1 90 SER H 2.650 . 3.500 2.441 2.441 2.441 . 0 0 "[ ]" 1
677 1 89 VAL HB 1 90 SER H 3.400 . 5.000 4.440 4.440 4.440 . 0 0 "[ ]" 1
678 1 89 VAL MG1 1 90 SER H 3.650 . 5.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
679 1 92 SER H 1 92 SER HB3 3.400 . 5.000 3.193 3.193 3.193 . 0 0 "[ ]" 1
680 1 92 SER H 1 92 SER HB2 3.400 . 5.000 3.746 3.746 3.746 . 0 0 "[ ]" 1
681 1 91 VAL HA 1 92 SER H 3.400 . 5.000 2.138 2.138 2.138 . 0 0 "[ ]" 1
682 1 91 VAL MG2 1 92 SER H 3.650 . 5.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
683 1 60 MET HG3 1 93 THR H 3.400 . 5.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
684 1 60 MET HG2 1 93 THR H 3.400 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
685 1 61 SER H 1 93 THR H 3.400 . 5.000 5.073 5.073 5.073 0.073 1 0 "[ ]" 1
686 1 92 SER HB3 1 93 THR H 2.650 . 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 1
687 1 92 SER H 1 93 THR H 2.650 . 3.500 1.901 1.901 1.901 . 0 0 "[ ]" 1
688 1 93 THR H 1 93 THR HA 2.650 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
689 1 93 THR H 1 93 THR HB 2.300 . 2.800 2.720 2.720 2.720 . 0 0 "[ ]" 1
690 1 93 THR H 1 93 THR MG 3.650 . 5.500 3.701 3.701 3.701 . 0 0 "[ ]" 1
691 1 91 VAL HA 1 93 THR H 2.650 . 3.500 3.629 3.629 3.629 0.129 1 0 "[ ]" 1
692 1 93 THR H 1 98 VAL MG2 3.650 . 5.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
693 1 95 ILE H 1 95 ILE HA 2.650 . 3.500 2.800 2.800 2.800 . 0 0 "[ ]" 1
694 1 95 ILE H 1 95 ILE HB 2.650 . 3.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
695 1 95 ILE H 1 95 ILE MD 3.650 . 5.500 3.746 3.746 3.746 . 0 0 "[ ]" 1
696 1 95 ILE H 1 95 ILE HG13 3.400 . 5.000 4.421 4.421 4.421 . 0 0 "[ ]" 1
697 1 95 ILE H 1 95 ILE HG12 3.400 . 5.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
698 1 95 ILE H 1 95 ILE MG 2.900 . 4.000 2.325 2.325 2.325 . 0 0 "[ ]" 1
699 1 60 MET H 1 95 ILE H 3.400 . 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
700 1 59 ASN HA 1 95 ILE H 2.650 . 3.500 2.014 2.014 2.014 . 0 0 "[ ]" 1
701 1 59 ASN HB3 1 95 ILE H 3.400 . 5.000 4.444 4.444 4.444 . 0 0 "[ ]" 1
702 1 59 ASN HB2 1 95 ILE H 3.400 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
703 1 94 PRO HA 1 95 ILE H 2.300 . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 1
704 1 94 PRO HB3 1 95 ILE H 3.400 . 5.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
705 1 94 PRO HB2 1 95 ILE H 3.400 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
706 1 95 ILE H 1 96 SER H 2.650 . 3.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
707 1 31 ILE MD 1 96 SER H 4.150 . 6.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
708 1 95 ILE HB 1 96 SER H 3.400 . 5.000 3.966 3.966 3.966 . 0 0 "[ ]" 1
709 1 95 ILE MG 1 96 SER H 3.650 . 5.500 2.105 2.105 2.105 . 0 0 "[ ]" 1
710 1 94 PRO HA 1 96 SER H 3.400 . 5.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
711 1 94 PRO HB3 1 96 SER H 3.400 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
712 1 94 PRO HB2 1 96 SER H 3.400 . 5.000 2.686 2.686 2.686 . 0 0 "[ ]" 1
713 1 96 SER H 1 96 SER HA 2.650 . 3.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
714 1 97 GLU H 1 97 GLU HA 2.650 . 3.500 2.952 2.952 2.952 . 0 0 "[ ]" 1
715 1 97 GLU H 1 97 GLU QB 2.800 . 3.800 2.191 2.191 2.191 . 0 0 "[ ]" 1
716 1 97 GLU H 1 97 GLU QG 3.550 . 5.300 3.909 3.909 3.909 . 0 0 "[ ]" 1
717 1 94 PRO HA 1 97 GLU H 3.400 . 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
718 1 94 PRO HB2 1 97 GLU H 2.650 . 3.500 3.147 3.147 3.147 . 0 0 "[ ]" 1
719 1 96 SER HA 1 97 GLU H 2.650 . 3.500 3.583 3.583 3.583 0.083 1 0 "[ ]" 1
720 1 96 SER H 1 97 GLU H 2.650 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
721 1 93 THR MG 1 97 GLU H 3.650 . 5.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
722 1 97 GLU H 1 98 VAL MG2 3.650 . 5.500 3.592 3.592 3.592 . 0 0 "[ ]" 1
723 1 97 GLU H 1 98 VAL H 2.650 . 3.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
724 1 95 ILE HA 1 98 VAL H 2.650 . 3.500 3.284 3.284 3.284 . 0 0 "[ ]" 1
725 1 93 THR MG 1 98 VAL H 3.650 . 5.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
726 1 98 VAL H 1 98 VAL HA 2.650 . 3.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
727 1 98 VAL H 1 98 VAL HB 2.300 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
728 1 98 VAL H 1 98 VAL MG2 2.900 . 4.000 1.959 1.959 1.959 . 0 0 "[ ]" 1
729 1 98 VAL H 1 99 TYR H 2.650 . 3.500 2.690 2.690 2.690 . 0 0 "[ ]" 1
730 1 99 TYR H 1 100 GLU H 2.650 . 3.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
731 1 31 ILE MD 1 99 TYR H 3.650 . 5.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
732 1 95 ILE HG13 1 99 TYR H 3.400 . 5.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
733 1 98 VAL HA 1 99 TYR H 2.650 . 3.500 3.556 3.556 3.556 0.056 1 0 "[ ]" 1
734 1 98 VAL HB 1 99 TYR H 2.650 . 3.500 2.524 2.524 2.524 . 0 0 "[ ]" 1
735 1 98 VAL MG1 1 99 TYR H 3.650 . 5.500 3.500 3.500 3.500 . 0 0 "[ ]" 1
736 1 98 VAL MG2 1 99 TYR H 3.650 . 5.500 3.770 3.770 3.770 . 0 0 "[ ]" 1
737 1 99 TYR H 1 99 TYR HA 2.650 . 3.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
738 1 99 TYR H 1 99 TYR HB3 2.650 . 3.500 2.468 2.468 2.468 . 0 0 "[ ]" 1
739 1 99 TYR H 1 99 TYR HB2 2.300 . 2.800 2.395 2.395 2.395 . 0 0 "[ ]" 1
740 1 99 TYR H 1 99 TYR QD 3.650 . 5.500 4.127 4.127 4.127 . 0 0 "[ ]" 1
741 1 100 GLU H 1 100 GLU HA 2.650 . 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
742 1 100 GLU H 1 100 GLU QB 2.450 . 3.100 2.327 2.327 2.327 . 0 0 "[ ]" 1
743 1 100 GLU H 1 100 GLU QG 2.800 . 3.800 2.092 2.092 2.092 . 0 0 "[ ]" 1
744 1 97 GLU HA 1 100 GLU H 2.650 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
745 1 99 TYR HA 1 100 GLU H 3.400 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
746 1 99 TYR HB3 1 100 GLU H 2.650 . 3.500 2.138 2.138 2.138 . 0 0 "[ ]" 1
747 1 99 TYR HB2 1 100 GLU H 2.650 . 3.500 3.600 3.600 3.600 0.100 1 0 "[ ]" 1
748 1 99 TYR QD 1 100 GLU H 3.650 . 5.500 3.701 3.701 3.701 . 0 0 "[ ]" 1
749 1 100 GLU HA 1 101 SER H 2.650 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
750 1 100 GLU QB 1 101 SER H 2.800 . 3.800 2.645 2.645 2.645 . 0 0 "[ ]" 1
751 1 100 GLU QG 1 101 SER H 3.550 . 5.300 4.177 4.177 4.177 . 0 0 "[ ]" 1
752 1 97 GLU HA 1 101 SER H 3.400 . 5.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
753 1 101 SER H 1 101 SER HA 2.650 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
754 1 101 SER H 1 101 SER QB 2.800 . 3.800 2.213 2.213 2.213 . 0 0 "[ ]" 1
755 1 98 VAL HA 1 101 SER H 2.650 . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1
756 1 102 GLU H 1 102 GLU HA 2.650 . 3.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
757 1 102 GLU H 1 102 GLU HB3 3.400 . 5.000 3.745 3.745 3.745 . 0 0 "[ ]" 1
758 1 102 GLU H 1 102 GLU HB2 2.650 . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
759 1 102 GLU H 1 102 GLU HG3 2.650 . 3.500 2.735 2.735 2.735 . 0 0 "[ ]" 1
760 1 101 SER HA 1 102 GLU H 2.650 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
761 1 101 SER H 1 102 GLU H 2.650 . 3.500 2.441 2.441 2.441 . 0 0 "[ ]" 1
762 1 98 VAL HA 1 102 GLU H 3.400 . 5.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
763 1 99 TYR HA 1 102 GLU H 2.650 . 3.500 3.279 3.279 3.279 . 0 0 "[ ]" 1
764 1 103 LYS H 1 104 ASP H 3.400 . 5.000 4.584 4.584 4.584 . 0 0 "[ ]" 1
765 1 100 GLU HA 1 103 LYS H 3.400 . 5.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
766 1 102 GLU HA 1 103 LYS H 2.650 . 3.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
767 1 102 GLU H 1 103 LYS H 2.650 . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1
768 1 103 LYS H 1 103 LYS HA 2.650 . 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
769 1 103 LYS H 1 103 LYS HB3 2.650 . 3.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
770 1 103 LYS H 1 103 LYS HB2 2.650 . 3.500 2.170 2.170 2.170 . 0 0 "[ ]" 1
771 1 103 LYS H 1 103 LYS HE2 3.400 . 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1
772 1 103 LYS H 1 103 LYS HG3 2.300 . 2.800 2.648 2.648 2.648 . 0 0 "[ ]" 1
773 1 103 LYS H 1 103 LYS HG2 2.650 . 3.500 3.263 3.263 3.263 . 0 0 "[ ]" 1
774 1 101 SER HA 1 103 LYS H 3.400 . 5.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
775 1 99 TYR QD 1 103 LYS H 3.650 . 5.500 4.576 4.576 4.576 . 0 0 "[ ]" 1
776 1 99 TYR QE 1 103 LYS H 4.150 . 6.500 5.229 5.229 5.229 . 0 0 "[ ]" 1
777 1 104 ASP H 1 104 ASP HA 2.650 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
778 1 104 ASP H 1 104 ASP HB3 2.650 . 3.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
779 1 104 ASP H 1 104 ASP HB2 2.650 . 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
780 1 104 ASP H 1 107 GLY H 3.400 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
781 1 103 LYS HA 1 104 ASP H 2.300 . 2.800 2.685 2.685 2.685 . 0 0 "[ ]" 1
782 1 103 LYS HB3 1 104 ASP H 2.650 . 3.500 2.044 2.044 2.044 . 0 0 "[ ]" 1
783 1 103 LYS HB2 1 104 ASP H 2.650 . 3.500 3.460 3.460 3.460 . 0 0 "[ ]" 1
784 1 103 LYS HG3 1 104 ASP H 3.400 . 5.000 4.698 4.698 4.698 . 0 0 "[ ]" 1
785 1 104 ASP H 1 109 LEU HA 3.400 . 5.000 4.952 4.952 4.952 . 0 0 "[ ]" 1
786 1 104 ASP HB3 1 105 GLU H 3.400 . 5.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
787 1 104 ASP HB2 1 105 GLU H 3.400 . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 1
788 1 105 GLU H 1 106 ASP H 2.650 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
789 1 105 GLU H 1 105 GLU HA 2.650 . 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
790 1 105 GLU H 1 105 GLU QB 2.800 . 3.800 1.904 1.904 1.904 . 0 0 "[ ]" 1
791 1 105 GLU H 1 105 GLU QG 2.800 . 3.800 3.454 3.454 3.454 . 0 0 "[ ]" 1
792 1 13 PHE QE 1 105 GLU H 4.150 . 6.500 4.097 4.097 4.097 . 0 0 "[ ]" 1
793 1 13 PHE HZ 1 105 GLU H 3.400 . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
794 1 104 ASP HB3 1 106 ASP H 3.400 . 5.000 2.871 2.871 2.871 . 0 0 "[ ]" 1
795 1 104 ASP HB2 1 106 ASP H 3.400 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
796 1 106 ASP H 1 106 ASP HA 2.650 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
797 1 106 ASP H 1 106 ASP HB3 3.400 . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
798 1 106 ASP H 1 106 ASP HB2 3.400 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
799 1 105 GLU QB 1 106 ASP H 3.550 . 5.300 2.710 2.710 2.710 . 0 0 "[ ]" 1
800 1 105 GLU QG 1 106 ASP H 4.050 . 6.300 4.354 4.354 4.354 . 0 0 "[ ]" 1
801 1 13 PHE QE 1 106 ASP H 3.650 . 5.500 2.388 2.388 2.388 . 0 0 "[ ]" 1
802 1 106 ASP H 1 107 GLY H 2.650 . 3.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
803 1 104 ASP HB3 1 107 GLY H 2.650 . 3.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
804 1 104 ASP HB2 1 107 GLY H 3.400 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
805 1 106 ASP HA 1 107 GLY H 2.650 . 3.500 3.349 3.349 3.349 . 0 0 "[ ]" 1
806 1 106 ASP HB3 1 107 GLY H 3.400 . 5.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
807 1 106 ASP HB2 1 107 GLY H 3.400 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
808 1 107 GLY H 1 108 PHE QD 4.150 . 6.500 4.727 4.727 4.727 . 0 0 "[ ]" 1
809 1 107 GLY H 1 107 GLY HA3 2.650 . 3.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
810 1 107 GLY H 1 107 GLY HA2 2.300 . 2.800 2.378 2.378 2.378 . 0 0 "[ ]" 1
811 1 103 LYS HD3 1 107 GLY H 3.400 . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
812 1 108 PHE H 1 108 PHE HB3 3.400 . 5.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
813 1 108 PHE H 1 108 PHE HB2 3.400 . 5.000 2.664 2.664 2.664 . 0 0 "[ ]" 1
814 1 107 GLY HA2 1 108 PHE H 3.900 . 6.000 2.521 2.521 2.521 . 0 0 "[ ]" 1
815 1 107 GLY H 1 108 PHE H 3.400 . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
816 1 108 PHE HA 1 109 LEU H 2.650 . 3.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
817 1 108 PHE HB3 1 109 LEU H 3.400 . 5.000 3.227 3.227 3.227 . 0 0 "[ ]" 1
818 1 108 PHE HB2 1 109 LEU H 3.400 . 5.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
819 1 108 PHE QD 1 109 LEU H 3.650 . 5.500 2.877 2.877 2.877 . 0 0 "[ ]" 1
820 1 31 ILE MG 1 109 LEU H 4.150 . 6.500 4.213 4.213 4.213 . 0 0 "[ ]" 1
821 1 109 LEU H 1 109 LEU HB3 2.650 . 3.500 2.413 2.413 2.413 . 0 0 "[ ]" 1
822 1 109 LEU H 1 109 LEU HB2 2.650 . 3.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
823 1 33 VAL HA 1 109 LEU H 2.650 . 3.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
824 1 99 TYR QE 1 109 LEU H 3.650 . 5.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
825 1 103 LYS HA 1 110 TYR H 3.400 . 5.000 4.116 4.116 4.116 . 0 0 "[ ]" 1
826 1 109 LEU HA 1 110 TYR H 2.650 . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
827 1 109 LEU HB2 1 110 TYR H 3.400 . 5.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
828 1 110 TYR H 1 110 TYR HB3 2.650 . 3.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
829 1 110 TYR H 1 110 TYR HB2 2.650 . 3.500 2.023 2.023 2.023 . 0 0 "[ ]" 1
830 1 110 TYR H 1 110 TYR QD 2.900 . 4.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
831 1 34 ILE MG 1 111 MET H 4.150 . 6.500 4.145 4.145 4.145 . 0 0 "[ ]" 1
832 1 35 ILE HA 1 111 MET H 2.650 . 3.500 2.400 2.400 2.400 . 0 0 "[ ]" 1
833 1 35 ILE MD 1 111 MET H 4.150 . 6.500 4.703 4.703 4.703 . 0 0 "[ ]" 1
834 1 35 ILE HG13 1 111 MET H 2.650 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
835 1 35 ILE HG12 1 111 MET H 2.650 . 3.500 3.271 3.271 3.271 . 0 0 "[ ]" 1
836 1 111 MET H 1 111 MET HA 2.650 . 3.500 2.968 2.968 2.968 . 0 0 "[ ]" 1
837 1 111 MET H 1 111 MET QB 2.800 . 3.800 2.614 2.614 2.614 . 0 0 "[ ]" 1
838 1 111 MET H 1 111 MET HG3 3.400 . 5.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
839 1 111 MET H 1 111 MET HG2 3.400 . 5.000 4.892 4.892 4.892 . 0 0 "[ ]" 1
840 1 110 TYR HA 1 111 MET H 2.300 . 2.800 2.183 2.183 2.183 . 0 0 "[ ]" 1
841 1 110 TYR HB3 1 111 MET H 2.650 . 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 1
842 1 110 TYR HB2 1 111 MET H 3.400 . 5.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
843 1 110 TYR QD 1 111 MET H 3.650 . 5.500 4.197 4.197 4.197 . 0 0 "[ ]" 1
844 1 82 LEU MD2 1 112 VAL H 4.150 . 6.500 4.206 4.206 4.206 . 0 0 "[ ]" 1
845 1 111 MET HA 1 112 VAL H 2.300 . 2.800 2.509 2.509 2.509 . 0 0 "[ ]" 1
846 1 111 MET HG3 1 112 VAL H 3.400 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
847 1 111 MET HG2 1 112 VAL H 3.400 . 5.000 2.856 2.856 2.856 . 0 0 "[ ]" 1
848 1 112 VAL H 1 112 VAL HA 2.650 . 3.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
849 1 112 VAL H 1 112 VAL MG1 2.900 . 4.000 3.122 3.122 3.122 . 0 0 "[ ]" 1
850 1 112 VAL H 1 112 VAL MG2 2.900 . 4.000 2.100 2.100 2.100 . 0 0 "[ ]" 1
851 1 83 VAL HA 1 112 VAL H 3.400 . 5.000 3.354 3.354 3.354 . 0 0 "[ ]" 1
852 1 112 VAL HA 1 113 TYR H 2.300 . 2.800 2.374 2.374 2.374 . 0 0 "[ ]" 1
853 1 112 VAL HB 1 113 TYR H 2.650 . 3.500 2.790 2.790 2.790 . 0 0 "[ ]" 1
854 1 112 VAL MG2 1 113 TYR H 3.650 . 5.500 3.783 3.783 3.783 . 0 0 "[ ]" 1
855 1 113 TYR H 1 113 TYR HA 2.650 . 3.500 3.001 3.001 3.001 . 0 0 "[ ]" 1
856 1 113 TYR H 1 113 TYR HB3 2.650 . 3.500 3.163 3.163 3.163 . 0 0 "[ ]" 1
857 1 113 TYR H 1 113 TYR HB2 3.400 . 5.000 3.706 3.706 3.706 . 0 0 "[ ]" 1
858 1 113 TYR H 1 113 TYR QD 2.900 . 4.000 2.914 2.914 2.914 . 0 0 "[ ]" 1
859 1 113 TYR H 1 113 TYR QE 3.650 . 5.500 3.973 3.973 3.973 . 0 0 "[ ]" 1
860 1 38 TYR HB3 1 113 TYR H 3.400 . 5.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
861 1 114 ALA H 1 114 ALA HA 2.650 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
862 1 114 ALA H 1 114 ALA MB 2.900 . 4.000 2.637 2.637 2.637 . 0 0 "[ ]" 1
863 1 81 LEU HA 1 114 ALA H 2.650 . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
864 1 81 LEU MD2 1 114 ALA H 3.650 . 5.500 4.337 4.337 4.337 . 0 0 "[ ]" 1
865 1 82 LEU MD2 1 114 ALA H 3.650 . 5.500 3.989 3.989 3.989 . 0 0 "[ ]" 1
866 1 113 TYR HA 1 114 ALA H 2.300 . 2.800 2.464 2.464 2.464 . 0 0 "[ ]" 1
867 1 113 TYR HB3 1 114 ALA H 2.650 . 3.500 3.583 3.583 3.583 0.083 1 0 "[ ]" 1
868 1 113 TYR HB2 1 114 ALA H 2.650 . 3.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
869 1 113 TYR QD 1 114 ALA H 2.900 . 4.000 3.295 3.295 3.295 . 0 0 "[ ]" 1
870 1 114 ALA HA 1 115 SER H 2.650 . 3.500 2.382 2.382 2.382 . 0 0 "[ ]" 1
871 1 114 ALA MB 1 115 SER H 2.900 . 4.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
872 1 43 GLN HG3 1 115 SER H 3.400 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
873 1 115 SER H 1 115 SER HA 2.650 . 3.500 2.972 2.972 2.972 . 0 0 "[ ]" 1
874 1 115 SER H 1 115 SER HB3 2.650 . 3.500 3.121 3.121 3.121 . 0 0 "[ ]" 1
875 1 115 SER H 1 115 SER HB2 2.650 . 3.500 2.114 2.114 2.114 . 0 0 "[ ]" 1
876 1 114 ALA MB 1 116 GLN H 2.900 . 4.000 2.323 2.323 2.323 . 0 0 "[ ]" 1
877 1 80 PHE HB3 1 116 GLN H 3.400 . 5.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
878 1 80 PHE HB2 1 116 GLN H 3.400 . 5.000 3.451 3.451 3.451 . 0 0 "[ ]" 1
879 1 80 PHE QD 1 116 GLN H 3.650 . 5.500 3.129 3.129 3.129 . 0 0 "[ ]" 1
880 1 116 GLN H 1 116 GLN HA 2.650 . 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
881 1 116 GLN H 1 116 GLN HB3 2.650 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1
882 1 116 GLN H 1 116 GLN HB2 2.650 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1
883 1 116 GLN H 1 116 GLN QG 3.550 . 5.300 3.721 3.721 3.721 . 0 0 "[ ]" 1
884 1 115 SER HB3 1 116 GLN H 3.400 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
885 1 115 SER HB2 1 116 GLN H 3.400 . 5.000 3.875 3.875 3.875 . 0 0 "[ ]" 1
886 1 115 SER H 1 116 GLN H 2.650 . 3.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
887 1 117 GLU H 1 117 GLU HA 2.650 . 3.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
888 1 117 GLU H 1 117 GLU QB 2.800 . 3.800 3.045 3.045 3.045 . 0 0 "[ ]" 1
889 1 117 GLU H 1 117 GLU HG3 3.400 . 5.000 3.732 3.732 3.732 . 0 0 "[ ]" 1
890 1 117 GLU H 1 117 GLU HG2 2.650 . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
891 1 116 GLN HA 1 117 GLU H 2.300 . 2.800 2.720 2.720 2.720 . 0 0 "[ ]" 1
892 1 116 GLN HB3 1 117 GLU H 2.650 . 3.500 2.017 2.017 2.017 . 0 0 "[ ]" 1
893 1 116 GLN HB2 1 117 GLU H 2.650 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
894 1 117 GLU H 1 118 THR H 2.650 . 3.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
895 1 117 GLU HA 1 118 THR H 2.650 . 3.500 2.998 2.998 2.998 . 0 0 "[ ]" 1
896 1 117 GLU QB 1 118 THR H 3.550 . 5.300 4.054 4.054 4.054 . 0 0 "[ ]" 1
897 1 117 GLU HG3 1 118 THR H 3.400 . 5.000 4.975 4.975 4.975 . 0 0 "[ ]" 1
898 1 117 GLU HG2 1 118 THR H 3.400 . 5.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
899 1 116 GLN HA 1 118 THR H 3.400 . 5.000 4.559 4.559 4.559 . 0 0 "[ ]" 1
900 1 116 GLN HB3 1 118 THR H 2.650 . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
901 1 116 GLN HB2 1 118 THR H 3.400 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
902 1 118 THR H 1 118 THR HA 2.650 . 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
903 1 118 THR H 1 118 THR HB 2.650 . 3.500 3.546 3.546 3.546 0.046 1 0 "[ ]" 1
904 1 118 THR H 1 118 THR MG 3.650 . 5.500 2.611 2.611 2.611 . 0 0 "[ ]" 1
905 1 119 PHE H 1 119 PHE HA 2.650 . 3.500 2.965 2.965 2.965 . 0 0 "[ ]" 1
906 1 119 PHE H 1 119 PHE HB3 3.400 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
907 1 119 PHE H 1 119 PHE HB2 2.650 . 3.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
908 1 119 PHE H 1 119 PHE QD 3.650 . 5.500 2.462 2.462 2.462 . 0 0 "[ ]" 1
909 1 118 THR HA 1 119 PHE H 2.300 . 2.800 2.394 2.394 2.394 . 0 0 "[ ]" 1
910 1 118 THR HB 1 119 PHE H 2.650 . 3.500 2.727 2.727 2.727 . 0 0 "[ ]" 1
911 1 118 THR MG 1 119 PHE H 3.650 . 5.500 3.688 3.688 3.688 . 0 0 "[ ]" 1
912 1 119 PHE HA 1 120 GLY H 2.300 . 2.800 2.565 2.565 2.565 . 0 0 "[ ]" 1
913 1 119 PHE HB3 1 120 GLY H 2.650 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
914 1 119 PHE HB2 1 120 GLY H 2.650 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
915 1 120 GLY H 1 120 GLY QA 2.450 . 3.100 2.355 2.355 2.355 . 0 0 "[ ]" 1
916 1 1 MET HA 1 1 MET HG2 2.650 . 3.500 2.710 2.710 2.710 . 0 0 "[ ]" 1
917 1 1 MET HA 1 2 PRO HD3 2.300 . 2.800 2.466 2.466 2.466 . 0 0 "[ ]" 1
918 1 1 MET HA 1 1 MET HB3 2.650 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
919 1 1 MET HA 1 1 MET HB2 2.650 . 3.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
920 1 1 MET HA 1 2 PRO HD2 2.650 . 3.500 2.075 2.075 2.075 . 0 0 "[ ]" 1
921 1 1 MET HA 1 1 MET HG3 3.400 . 5.000 2.524 2.524 2.524 . 0 0 "[ ]" 1
922 1 1 MET HB3 1 1 MET HG3 2.650 . 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
923 1 1 MET HB3 1 1 MET HG2 2.650 . 3.500 2.544 2.544 2.544 . 0 0 "[ ]" 1
924 1 1 MET HB2 1 1 MET HG3 2.650 . 3.500 2.401 2.401 2.401 . 0 0 "[ ]" 1
925 1 1 MET HB2 1 1 MET HG2 2.650 . 3.500 3.028 3.028 3.028 . 0 0 "[ ]" 1
926 1 2 PRO HA 1 2 PRO HB3 2.300 . 2.800 2.303 2.303 2.303 . 0 0 "[ ]" 1
927 1 2 PRO HA 1 2 PRO QG 3.550 . 5.300 3.515 3.515 3.515 . 0 0 "[ ]" 1
928 1 2 PRO HA 1 2 PRO HD3 3.400 . 5.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
929 1 2 PRO HB3 1 2 PRO HD3 3.400 . 5.000 3.140 3.140 3.140 . 0 0 "[ ]" 1
930 1 3 SER HA 1 3 SER HB2 2.650 . 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 1
931 1 3 SER HA 1 3 SER HB3 2.300 . 2.800 2.506 2.506 2.506 . 0 0 "[ ]" 1
932 1 4 GLU HA 1 4 GLU HB2 2.650 . 3.500 2.429 2.429 2.429 . 0 0 "[ ]" 1
933 1 4 GLU HA 1 4 GLU HB3 2.650 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
934 1 4 GLU HA 1 4 GLU QG 2.800 . 3.800 3.306 3.306 3.306 . 0 0 "[ ]" 1
935 1 4 GLU QG 1 5 LYS HA 3.550 . 5.300 3.842 3.842 3.842 . 0 0 "[ ]" 1
936 1 5 LYS HA 1 5 LYS HB2 2.650 . 3.500 3.021 3.021 3.021 . 0 0 "[ ]" 1
937 1 5 LYS HA 1 5 LYS HB3 2.650 . 3.500 2.389 2.389 2.389 . 0 0 "[ ]" 1
938 1 5 LYS HA 1 5 LYS QE 3.550 . 5.300 3.966 3.966 3.966 . 0 0 "[ ]" 1
939 1 5 LYS HA 1 5 LYS HG3 2.650 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
940 1 4 GLU QG 1 5 LYS HB2 3.550 . 5.300 4.723 4.723 4.723 . 0 0 "[ ]" 1
941 1 4 GLU QG 1 5 LYS HB3 3.550 . 5.300 4.820 4.820 4.820 . 0 0 "[ ]" 1
942 1 5 LYS HA 1 5 LYS QD 3.550 . 5.300 3.776 3.776 3.776 . 0 0 "[ ]" 1
943 1 5 LYS HA 1 5 LYS HG2 2.650 . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 1
944 1 6 THR HA 1 6 THR HB 2.650 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 1
945 1 6 THR HA 1 6 THR MG 2.900 . 4.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
946 1 7 PHE HA 1 10 ARG HB2 2.650 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
947 1 7 PHE HA 1 10 ARG HB3 3.400 . 5.000 2.759 2.759 2.759 . 0 0 "[ ]" 1
948 1 7 PHE QB 1 34 ILE MG 4.300 . 6.800 2.906 2.906 2.906 . 0 0 "[ ]" 1
949 1 7 PHE QB 1 50 THR MG 4.300 . 6.800 2.355 2.355 2.355 . 0 0 "[ ]" 1
950 1 9 GLN HA 1 9 GLN HB2 2.650 . 3.500 2.491 2.491 2.491 . 0 0 "[ ]" 1
951 1 9 GLN HA 1 9 GLN HB3 2.650 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 1
952 1 9 GLN HA 1 9 GLN QG 2.800 . 3.800 2.344 2.344 2.344 . 0 0 "[ ]" 1
953 1 10 ARG HA 1 10 ARG QD 3.550 . 5.300 3.919 3.919 3.919 . 0 0 "[ ]" 1
954 1 10 ARG HA 1 10 ARG HB2 2.650 . 3.500 2.612 2.612 2.612 . 0 0 "[ ]" 1
955 1 10 ARG HA 1 10 ARG HB3 2.650 . 3.500 3.014 3.014 3.014 . 0 0 "[ ]" 1
956 1 10 ARG HA 1 10 ARG HG2 2.650 . 3.500 3.000 3.000 3.000 . 0 0 "[ ]" 1
957 1 10 ARG HB2 1 10 ARG QD 2.800 . 3.800 2.160 2.160 2.160 . 0 0 "[ ]" 1
958 1 10 ARG HA 1 10 ARG HG3 2.650 . 3.500 2.233 2.233 2.233 . 0 0 "[ ]" 1
959 1 7 PHE HA 1 10 ARG HG2 3.400 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
960 1 11 ARG HA 1 11 ARG HG3 2.650 . 3.500 3.404 3.404 3.404 . 0 0 "[ ]" 1
961 1 11 ARG HA 1 11 ARG HB2 2.650 . 3.500 2.979 2.979 2.979 . 0 0 "[ ]" 1
962 1 11 ARG HA 1 11 ARG HG2 2.650 . 3.500 2.057 2.057 2.057 . 0 0 "[ ]" 1
963 1 11 ARG HA 1 11 ARG HD3 2.650 . 3.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
964 1 11 ARG HA 1 11 ARG HB3 2.650 . 3.500 2.707 2.707 2.707 . 0 0 "[ ]" 1
965 1 11 ARG HA 1 11 ARG HD2 3.400 . 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
966 1 11 ARG HB2 1 11 ARG HD3 2.650 . 3.500 3.397 3.397 3.397 . 0 0 "[ ]" 1
967 1 11 ARG HD3 1 11 ARG HG2 2.650 . 3.500 2.729 2.729 2.729 . 0 0 "[ ]" 1
968 1 11 ARG HD3 1 11 ARG HG3 2.650 . 3.500 2.976 2.976 2.976 . 0 0 "[ ]" 1
969 1 11 ARG HD2 1 11 ARG HG2 2.650 . 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
970 1 11 ARG HD2 1 11 ARG HG3 2.650 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
971 1 11 ARG HB3 1 11 ARG HD3 3.400 . 5.000 2.045 2.045 2.045 . 0 0 "[ ]" 1
972 1 11 ARG HB3 1 11 ARG HG2 2.650 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
973 1 11 ARG HB3 1 11 ARG HG3 2.650 . 3.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
974 1 11 ARG HB3 1 15 GLN QG 3.550 . 5.300 4.658 4.658 4.658 . 0 0 "[ ]" 1
975 1 11 ARG HB2 1 11 ARG HG2 2.650 . 3.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
976 1 11 ARG HB2 1 11 ARG HG3 2.650 . 3.500 2.254 2.254 2.254 . 0 0 "[ ]" 1
977 1 11 ARG HB3 1 15 GLN HB2 3.400 . 5.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
978 1 12 THR HA 1 12 THR HB 2.650 . 3.500 3.042 3.042 3.042 . 0 0 "[ ]" 1
979 1 12 THR HA 1 12 THR MG 2.900 . 4.000 2.288 2.288 2.288 . 0 0 "[ ]" 1
980 1 13 PHE HA 1 13 PHE HB2 2.650 . 3.500 2.547 2.547 2.547 . 0 0 "[ ]" 1
981 1 13 PHE HA 1 13 PHE HB3 2.650 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
982 1 14 GLU HA 1 14 GLU HB3 2.650 . 3.500 2.550 2.550 2.550 . 0 0 "[ ]" 1
983 1 14 GLU HA 1 14 GLU HB2 2.650 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
984 1 14 GLU HA 1 14 GLU HG3 2.650 . 3.500 3.043 3.043 3.043 . 0 0 "[ ]" 1
985 1 14 GLU HA 1 14 GLU HG2 2.650 . 3.500 2.346 2.346 2.346 . 0 0 "[ ]" 1
986 1 14 GLU HA 1 17 VAL MG2 3.650 . 5.500 3.146 3.146 3.146 . 0 0 "[ ]" 1
987 1 14 GLU HA 1 17 VAL MG1 3.650 . 5.500 3.825 3.825 3.825 . 0 0 "[ ]" 1
988 1 14 GLU HA 1 17 VAL HB 2.650 . 3.500 2.532 2.532 2.532 . 0 0 "[ ]" 1
989 1 14 GLU HB3 1 14 GLU HG3 2.650 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
990 1 14 GLU HB2 1 14 GLU HG3 2.650 . 3.500 2.419 2.419 2.419 . 0 0 "[ ]" 1
991 1 14 GLU HB3 1 14 GLU HG2 2.650 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
992 1 15 GLN HA 1 15 GLN QG 2.800 . 3.800 2.504 2.504 2.504 . 0 0 "[ ]" 1
993 1 15 GLN HA 1 18 GLU QB 2.800 . 3.800 2.423 2.423 2.423 . 0 0 "[ ]" 1
994 1 16 ARG HA 1 19 ASP HB2 3.400 . 5.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
995 1 16 ARG HA 1 19 ASP HB3 3.400 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1
996 1 17 VAL HA 1 20 VAL MG2 3.650 . 5.500 2.336 2.336 2.336 . 0 0 "[ ]" 1
997 1 17 VAL HA 1 106 ASP HA 3.400 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
998 1 17 VAL HA 1 17 VAL MG2 2.900 . 4.000 2.357 2.357 2.357 . 0 0 "[ ]" 1
999 1 17 VAL HA 1 20 VAL HB 2.650 . 3.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
1000 1 17 VAL HA 1 17 VAL HB 2.650 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 1
1001 1 17 VAL HA 1 17 VAL MG1 2.900 . 4.000 2.436 2.436 2.436 . 0 0 "[ ]" 1
1002 1 13 PHE HA 1 17 VAL MG2 3.650 . 5.500 3.770 3.770 3.770 . 0 0 "[ ]" 1
1003 1 17 VAL MG1 1 20 VAL HB 3.650 . 5.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
1004 1 18 GLU HA 1 18 GLU QG 2.800 . 3.800 2.273 2.273 2.273 . 0 0 "[ ]" 1
1005 1 17 VAL MG1 1 18 GLU HA 3.650 . 5.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
1006 1 18 GLU HA 1 21 ARG HB2 2.650 . 3.500 3.274 3.274 3.274 . 0 0 "[ ]" 1
1007 1 18 GLU QB 1 21 ARG HG2 3.550 . 5.300 4.779 4.779 4.779 . 0 0 "[ ]" 1
1008 1 19 ASP HA 1 19 ASP HB3 2.650 . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
1009 1 19 ASP HA 1 22 LEU HB3 3.400 . 5.000 4.812 4.812 4.812 . 0 0 "[ ]" 1
1010 1 19 ASP HA 1 19 ASP HB2 2.650 . 3.500 3.012 3.012 3.012 . 0 0 "[ ]" 1
1011 1 19 ASP HA 1 22 LEU MD1 3.650 . 5.500 2.665 2.665 2.665 . 0 0 "[ ]" 1
1012 1 20 VAL HA 1 20 VAL HB 2.650 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 1
1013 1 20 VAL HA 1 23 ILE MD 3.650 . 5.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
1014 1 20 VAL MG2 1 106 ASP HB2 3.650 . 5.500 2.995 2.995 2.995 . 0 0 "[ ]" 1
1015 1 20 VAL MG2 1 106 ASP HB3 3.650 . 5.500 4.479 4.479 4.479 . 0 0 "[ ]" 1
1016 1 17 VAL MG1 1 20 VAL MG2 3.900 . 6.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
1017 1 20 VAL MG1 1 24 ARG HG2 2.900 . 4.000 2.517 2.517 2.517 . 0 0 "[ ]" 1
1018 1 20 VAL MG1 1 21 ARG HD3 3.650 . 5.500 3.904 3.904 3.904 . 0 0 "[ ]" 1
1019 1 21 ARG HA 1 21 ARG HG3 3.400 . 5.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
1020 1 21 ARG HA 1 21 ARG HG2 2.650 . 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
1021 1 21 ARG HA 1 21 ARG HB3 2.650 . 3.500 2.495 2.495 2.495 . 0 0 "[ ]" 1
1022 1 20 VAL MG1 1 21 ARG HA 3.650 . 5.500 3.728 3.728 3.728 . 0 0 "[ ]" 1
1023 1 21 ARG HA 1 21 ARG HD2 3.400 . 5.000 2.289 2.289 2.289 . 0 0 "[ ]" 1
1024 1 21 ARG HA 1 21 ARG HB2 2.650 . 3.500 3.039 3.039 3.039 . 0 0 "[ ]" 1
1025 1 21 ARG HB3 1 21 ARG HD2 2.650 . 3.500 2.284 2.284 2.284 . 0 0 "[ ]" 1
1026 1 21 ARG HD2 1 21 ARG HG2 2.650 . 3.500 2.948 2.948 2.948 . 0 0 "[ ]" 1
1027 1 21 ARG HB2 1 21 ARG HD2 2.650 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
1028 1 21 ARG HB3 1 21 ARG HD3 2.650 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
1029 1 21 ARG HD2 1 21 ARG HG3 2.650 . 3.500 2.772 2.772 2.772 . 0 0 "[ ]" 1
1030 1 21 ARG HD3 1 21 ARG HG3 2.650 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
1031 1 21 ARG HB2 1 21 ARG HG3 2.650 . 3.500 2.431 2.431 2.431 . 0 0 "[ ]" 1
1032 1 21 ARG HB3 1 21 ARG HG3 2.650 . 3.500 2.501 2.501 2.501 . 0 0 "[ ]" 1
1033 1 21 ARG HD3 1 21 ARG HG2 2.650 . 3.500 2.281 2.281 2.281 . 0 0 "[ ]" 1
1034 1 21 ARG HB3 1 21 ARG HG2 2.650 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
1035 1 20 VAL MG1 1 21 ARG HG2 3.650 . 5.500 4.248 4.248 4.248 . 0 0 "[ ]" 1
1036 1 22 LEU HA 1 22 LEU HB2 2.650 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
1037 1 22 LEU HA 1 22 LEU HB3 2.650 . 3.500 2.620 2.620 2.620 . 0 0 "[ ]" 1
1038 1 22 LEU HA 1 22 LEU MD1 3.650 . 5.500 3.243 3.243 3.243 . 0 0 "[ ]" 1
1039 1 22 LEU HB3 1 22 LEU MD1 2.900 . 4.000 3.061 3.061 3.061 . 0 0 "[ ]" 1
1040 1 19 ASP HA 1 22 LEU HB2 2.650 . 3.500 3.174 3.174 3.174 . 0 0 "[ ]" 1
1041 1 22 LEU HA 1 22 LEU HG 2.650 . 3.500 2.104 2.104 2.104 . 0 0 "[ ]" 1
1042 1 21 ARG HG3 1 22 LEU MD1 3.650 . 5.500 4.351 4.351 4.351 . 0 0 "[ ]" 1
1043 1 22 LEU HA 1 22 LEU MD2 2.900 . 4.000 3.333 3.333 3.333 . 0 0 "[ ]" 1
1044 1 23 ILE HA 1 53 LEU MD1 3.650 . 5.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
1045 1 23 ILE HA 1 26 GLN HB3 3.400 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
1046 1 23 ILE HA 1 53 LEU MD2 3.650 . 5.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
1047 1 23 ILE HA 1 23 ILE MG 2.900 . 4.000 2.525 2.525 2.525 . 0 0 "[ ]" 1
1048 1 23 ILE HA 1 23 ILE HB 2.650 . 3.500 3.028 3.028 3.028 . 0 0 "[ ]" 1
1049 1 23 ILE HA 1 23 ILE HG13 2.650 . 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
1050 1 23 ILE HA 1 23 ILE HG12 2.650 . 3.500 2.435 2.435 2.435 . 0 0 "[ ]" 1
1051 1 20 VAL HA 1 23 ILE HB 2.650 . 3.500 2.223 2.223 2.223 . 0 0 "[ ]" 1
1052 1 23 ILE HB 1 23 ILE HG12 2.650 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1053 1 20 VAL MG2 1 23 ILE HB 4.150 . 6.500 4.089 4.089 4.089 . 0 0 "[ ]" 1
1054 1 20 VAL MG1 1 23 ILE HB 3.650 . 5.500 3.349 3.349 3.349 . 0 0 "[ ]" 1
1055 1 23 ILE HG12 1 53 LEU MD2 4.150 . 6.500 1.949 1.949 1.949 . 0 0 "[ ]" 1
1056 1 23 ILE MG 1 32 PRO HA 3.650 . 5.500 3.350 3.350 3.350 . 0 0 "[ ]" 1
1057 1 23 ILE HG12 1 23 ILE MG 2.900 . 4.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
1058 1 23 ILE HG13 1 23 ILE MG 2.900 . 4.000 3.204 3.204 3.204 . 0 0 "[ ]" 1
1059 1 23 ILE MD 1 32 PRO HA 3.650 . 5.500 3.670 3.670 3.670 . 0 0 "[ ]" 1
1060 1 23 ILE HA 1 23 ILE MD 3.650 . 5.500 3.781 3.781 3.781 . 0 0 "[ ]" 1
1061 1 23 ILE MD 1 53 LEU MD1 3.900 . 6.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
1062 1 23 ILE MD 1 53 LEU MD2 3.900 . 6.000 2.156 2.156 2.156 . 0 0 "[ ]" 1
1063 1 20 VAL MG2 1 23 ILE MD 4.400 . 7.000 2.966 2.966 2.966 . 0 0 "[ ]" 1
1064 1 23 ILE HB 1 23 ILE MD 2.900 . 4.000 2.252 2.252 2.252 . 0 0 "[ ]" 1
1065 1 24 ARG HA 1 24 ARG HG2 2.650 . 3.500 3.071 3.071 3.071 . 0 0 "[ ]" 1
1066 1 24 ARG HA 1 24 ARG HD2 2.650 . 3.500 2.831 2.831 2.831 . 0 0 "[ ]" 1
1067 1 24 ARG HA 1 24 ARG HD3 3.400 . 5.000 1.752 1.752 1.752 0.048 1 0 "[ ]" 1
1068 1 23 ILE MG 1 24 ARG HA 3.650 . 5.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
1069 1 24 ARG HD2 1 24 ARG HG3 2.650 . 3.500 2.424 2.424 2.424 . 0 0 "[ ]" 1
1070 1 20 VAL MG1 1 24 ARG HD3 3.650 . 5.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
1071 1 24 ARG HD3 1 24 ARG HG2 2.300 . 2.800 2.536 2.536 2.536 . 0 0 "[ ]" 1
1072 1 24 ARG HD3 1 24 ARG HG3 2.650 . 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
1073 1 23 ILE MG 1 24 ARG HD2 3.650 . 5.500 4.126 4.126 4.126 . 0 0 "[ ]" 1
1074 1 20 VAL MG1 1 24 ARG HD2 3.650 . 5.500 4.522 4.522 4.522 . 0 0 "[ ]" 1
1075 1 24 ARG QB 1 24 ARG HD3 3.550 . 5.300 2.945 2.945 2.945 . 0 0 "[ ]" 1
1076 1 21 ARG HA 1 24 ARG QB 3.550 . 5.300 3.392 3.392 3.392 . 0 0 "[ ]" 1
1077 1 23 ILE MG 1 24 ARG HG3 3.650 . 5.500 4.368 4.368 4.368 . 0 0 "[ ]" 1
1078 1 24 ARG HA 1 24 ARG HG3 2.650 . 3.500 3.640 3.640 3.640 0.140 1 0 "[ ]" 1
1079 1 20 VAL MG1 1 24 ARG HG3 3.650 . 5.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
1080 1 25 GLU HA 1 25 GLU HG3 2.650 . 3.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
1081 1 25 GLU HA 1 25 GLU HG2 2.650 . 3.500 2.401 2.401 2.401 . 0 0 "[ ]" 1
1082 1 26 GLN HA 1 26 GLN HB3 2.650 . 3.500 2.632 2.632 2.632 . 0 0 "[ ]" 1
1083 1 26 GLN HA 1 26 GLN HG3 2.650 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
1084 1 26 GLN HA 1 26 GLN HG2 2.650 . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
1085 1 26 GLN HA 1 26 GLN HB2 2.650 . 3.500 3.010 3.010 3.010 . 0 0 "[ ]" 1
1086 1 26 GLN HB3 1 26 GLN HG3 2.650 . 3.500 2.754 2.754 2.754 . 0 0 "[ ]" 1
1087 1 26 GLN HB3 1 26 GLN HG2 2.650 . 3.500 2.940 2.940 2.940 . 0 0 "[ ]" 1
1088 1 26 GLN HB2 1 26 GLN HG2 2.300 . 2.800 2.757 2.757 2.757 . 0 0 "[ ]" 1
1089 1 26 GLN HB2 1 26 GLN HG3 2.650 . 3.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
1090 1 27 HIS HA 1 27 HIS HB3 2.650 . 3.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
1091 1 27 HIS HA 1 27 HIS HB2 2.650 . 3.500 3.036 3.036 3.036 . 0 0 "[ ]" 1
1092 1 27 HIS HB2 1 30 LYS QG 3.550 . 5.300 3.698 3.698 3.698 . 0 0 "[ ]" 1
1093 1 27 HIS HB2 1 30 LYS HB3 3.400 . 5.000 4.109 4.109 4.109 . 0 0 "[ ]" 1
1094 1 27 HIS HB3 1 30 LYS QG 3.550 . 5.300 2.028 2.028 2.028 . 0 0 "[ ]" 1
1095 1 27 HIS HB3 1 30 LYS HB2 2.650 . 3.500 1.753 1.753 1.753 0.047 1 0 "[ ]" 1
1096 1 27 HIS HB2 1 30 LYS HB2 2.650 . 3.500 2.847 2.847 2.847 . 0 0 "[ ]" 1
1097 1 23 ILE MG 1 27 HIS HB2 3.650 . 5.500 3.093 3.093 3.093 . 0 0 "[ ]" 1
1098 1 23 ILE MG 1 27 HIS HB3 3.650 . 5.500 4.231 4.231 4.231 . 0 0 "[ ]" 1
1099 1 29 THR HA 1 29 THR HB 2.300 . 2.800 2.540 2.540 2.540 . 0 0 "[ ]" 1
1100 1 29 THR HA 1 29 THR MG 2.900 . 4.000 2.300 2.300 2.300 . 0 0 "[ ]" 1
1101 1 30 LYS HA 1 30 LYS HB2 2.650 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
1102 1 30 LYS HA 1 30 LYS HB3 2.650 . 3.500 2.560 2.560 2.560 . 0 0 "[ ]" 1
1103 1 27 HIS HB3 1 30 LYS HB3 3.400 . 5.000 3.118 3.118 3.118 . 0 0 "[ ]" 1
1104 1 30 LYS HA 1 30 LYS QG 3.550 . 5.300 2.253 2.253 2.253 . 0 0 "[ ]" 1
1105 1 31 ILE HA 1 31 ILE MD 3.650 . 5.500 3.697 3.697 3.697 . 0 0 "[ ]" 1
1106 1 31 ILE HA 1 31 ILE HG12 3.400 . 5.000 2.428 2.428 2.428 . 0 0 "[ ]" 1
1107 1 31 ILE HA 1 32 PRO HD2 2.650 . 3.500 2.198 2.198 2.198 . 0 0 "[ ]" 1
1108 1 31 ILE HA 1 32 PRO HD3 2.650 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
1109 1 31 ILE HA 1 31 ILE HG13 3.400 . 5.000 3.289 3.289 3.289 . 0 0 "[ ]" 1
1110 1 31 ILE HB 1 95 ILE MD 3.650 . 5.500 4.085 4.085 4.085 . 0 0 "[ ]" 1
1111 1 31 ILE HB 1 95 ILE MG 3.650 . 5.500 3.158 3.158 3.158 . 0 0 "[ ]" 1
1112 1 31 ILE HB 1 31 ILE HG13 2.650 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
1113 1 31 ILE HB 1 31 ILE HG12 2.650 . 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
1114 1 31 ILE HB 1 54 VAL HB 2.650 . 3.500 2.651 2.651 2.651 . 0 0 "[ ]" 1
1115 1 31 ILE HG13 1 95 ILE MG 3.650 . 5.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
1116 1 31 ILE HG12 1 95 ILE MG 3.650 . 5.500 4.042 4.042 4.042 . 0 0 "[ ]" 1
1117 1 31 ILE MG 1 95 ILE MD 4.400 . 7.000 3.092 3.092 3.092 . 0 0 "[ ]" 1
1118 1 31 ILE MG 1 95 ILE MG 3.900 . 6.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
1119 1 31 ILE MD 1 99 TYR HB2 3.650 . 5.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
1120 1 31 ILE MD 1 99 TYR HB3 3.650 . 5.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
1121 1 32 PRO HA 1 53 LEU HA 2.650 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
1122 1 32 PRO HA 1 53 LEU MD2 3.650 . 5.500 2.097 2.097 2.097 . 0 0 "[ ]" 1
1123 1 32 PRO HA 1 33 VAL HB 3.400 . 5.000 4.464 4.464 4.464 . 0 0 "[ ]" 1
1124 1 32 PRO HA 1 33 VAL MG2 3.650 . 5.500 3.376 3.376 3.376 . 0 0 "[ ]" 1
1125 1 31 ILE MG 1 32 PRO HD3 3.650 . 5.500 3.502 3.502 3.502 . 0 0 "[ ]" 1
1126 1 31 ILE MG 1 32 PRO HD2 3.650 . 5.500 2.287 2.287 2.287 . 0 0 "[ ]" 1
1127 1 23 ILE MD 1 32 PRO HB2 3.650 . 5.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
1128 1 23 ILE MG 1 32 PRO HB3 3.650 . 5.500 1.709 1.709 1.709 0.091 1 0 "[ ]" 1
1129 1 23 ILE MD 1 32 PRO HB3 3.650 . 5.500 2.216 2.216 2.216 . 0 0 "[ ]" 1
1130 1 23 ILE MG 1 32 PRO QG 4.300 . 6.800 2.468 2.468 2.468 . 0 0 "[ ]" 1
1131 1 20 VAL MG1 1 32 PRO QG 3.800 . 5.800 3.030 3.030 3.030 . 0 0 "[ ]" 1
1132 1 33 VAL HA 1 109 LEU HB2 3.400 . 5.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
1133 1 33 VAL HA 1 109 LEU HB3 3.400 . 5.000 1.803 1.803 1.803 . 0 0 "[ ]" 1
1134 1 33 VAL HA 1 108 PHE HA 3.400 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
1135 1 31 ILE MG 1 33 VAL MG2 3.900 . 6.000 2.877 2.877 2.877 . 0 0 "[ ]" 1
1136 1 33 VAL HA 1 33 VAL MG1 2.900 . 4.000 2.331 2.331 2.331 . 0 0 "[ ]" 1
1137 1 33 VAL MG1 1 35 ILE MD 3.900 . 6.000 1.983 1.983 1.983 . 0 0 "[ ]" 1
1138 1 34 ILE HA 1 34 ILE MD 3.650 . 5.500 1.962 1.962 1.962 . 0 0 "[ ]" 1
1139 1 34 ILE HA 1 34 ILE HG12 3.400 . 5.000 3.039 3.039 3.039 . 0 0 "[ ]" 1
1140 1 34 ILE HA 1 51 LYS HB2 2.650 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1
1141 1 33 VAL MG1 1 34 ILE HA 3.650 . 5.500 3.703 3.703 3.703 . 0 0 "[ ]" 1
1142 1 34 ILE MG 1 51 LYS HA 3.650 . 5.500 3.629 3.629 3.629 . 0 0 "[ ]" 1
1143 1 34 ILE MD 1 51 LYS HG2 3.650 . 5.500 3.323 3.323 3.323 . 0 0 "[ ]" 1
1144 1 34 ILE MD 1 51 LYS QD 4.300 . 6.800 1.938 1.938 1.938 . 0 0 "[ ]" 1
1145 1 35 ILE HA 1 112 VAL HA 3.400 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
1146 1 35 ILE HA 1 111 MET QB 3.550 . 5.300 3.257 3.257 3.257 . 0 0 "[ ]" 1
1147 1 35 ILE HA 1 35 ILE HG13 2.650 . 3.500 2.745 2.745 2.745 . 0 0 "[ ]" 1
1148 1 35 ILE HA 1 35 ILE MD 3.650 . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
1149 1 35 ILE HA 1 35 ILE HG12 2.650 . 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
1150 1 35 ILE HB 1 35 ILE HG13 2.650 . 3.500 2.574 2.574 2.574 . 0 0 "[ ]" 1
1151 1 36 GLU HA 1 36 GLU QG 2.800 . 3.800 2.361 2.361 2.361 . 0 0 "[ ]" 1
1152 1 36 GLU HA 1 36 GLU HB3 2.650 . 3.500 2.669 2.669 2.669 . 0 0 "[ ]" 1
1153 1 35 ILE MG 1 36 GLU HA 3.650 . 5.500 3.615 3.615 3.615 . 0 0 "[ ]" 1
1154 1 36 GLU HA 1 50 THR MG 3.650 . 5.500 3.343 3.343 3.343 . 0 0 "[ ]" 1
1155 1 36 GLU HA 1 36 GLU HB2 2.650 . 3.500 2.996 2.996 2.996 . 0 0 "[ ]" 1
1156 1 34 ILE MG 1 36 GLU QG 4.300 . 6.800 3.255 3.255 3.255 . 0 0 "[ ]" 1
1157 1 36 GLU QG 1 50 THR MG 4.300 . 6.800 1.798 1.798 1.798 0.002 1 0 "[ ]" 1
1158 1 37 ARG HA 1 37 ARG HB3 2.650 . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
1159 1 37 ARG HA 1 37 ARG HB2 2.650 . 3.500 2.473 2.473 2.473 . 0 0 "[ ]" 1
1160 1 37 ARG HA 1 37 ARG QG 3.550 . 5.300 3.337 3.337 3.337 . 0 0 "[ ]" 1
1161 1 38 TYR HA 1 38 TYR HB2 2.650 . 3.500 2.479 2.479 2.479 . 0 0 "[ ]" 1
1162 1 38 TYR HA 1 38 TYR HB3 2.650 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 1
1163 1 38 TYR HB2 1 114 ALA MB 3.650 . 5.500 3.220 3.220 3.220 . 0 0 "[ ]" 1
1164 1 38 TYR HB3 1 112 VAL MG2 3.650 . 5.500 4.157 4.157 4.157 . 0 0 "[ ]" 1
1165 1 38 TYR HB3 1 114 ALA MB 3.650 . 5.500 2.655 2.655 2.655 . 0 0 "[ ]" 1
1166 1 39 LYS HA 1 39 LYS HB3 2.650 . 3.500 2.564 2.564 2.564 . 0 0 "[ ]" 1
1167 1 39 LYS HA 1 39 LYS QG 2.800 . 3.800 2.220 2.220 2.220 . 0 0 "[ ]" 1
1168 1 39 LYS HA 1 39 LYS HB2 2.650 . 3.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
1169 1 39 LYS HA 1 39 LYS QD 3.550 . 5.300 3.791 3.791 3.791 . 0 0 "[ ]" 1
1170 1 41 GLU HA 1 41 GLU HB2 2.300 . 2.800 2.579 2.579 2.579 . 0 0 "[ ]" 1
1171 1 41 GLU HA 1 41 GLU HB3 2.650 . 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
1172 1 42 LYS HA 1 42 LYS HB2 2.650 . 3.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
1173 1 42 LYS HA 1 42 LYS HB3 2.650 . 3.500 2.621 2.621 2.621 . 0 0 "[ ]" 1
1174 1 42 LYS HA 1 42 LYS HG2 2.650 . 3.500 2.109 2.109 2.109 . 0 0 "[ ]" 1
1175 1 42 LYS HA 1 42 LYS HG3 2.650 . 3.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
1176 1 42 LYS QE 1 42 LYS HG3 3.550 . 5.300 2.300 2.300 2.300 . 0 0 "[ ]" 1
1177 1 42 LYS QE 1 42 LYS HG2 3.550 . 5.300 3.284 3.284 3.284 . 0 0 "[ ]" 1
1178 1 42 LYS HB3 1 42 LYS HG2 2.650 . 3.500 2.768 2.768 2.768 . 0 0 "[ ]" 1
1179 1 42 LYS HB3 1 42 LYS HG3 2.650 . 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 1
1180 1 42 LYS QD 1 42 LYS HG3 2.450 . 3.100 2.466 2.466 2.466 . 0 0 "[ ]" 1
1181 1 42 LYS HB3 1 42 LYS QD 2.800 . 3.800 2.080 2.080 2.080 . 0 0 "[ ]" 1
1182 1 42 LYS HA 1 42 LYS QD 2.800 . 3.800 3.373 3.373 3.373 . 0 0 "[ ]" 1
1183 1 43 GLN HA 1 43 GLN HB2 2.650 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
1184 1 43 GLN HA 1 43 GLN HG3 2.650 . 3.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
1185 1 43 GLN HA 1 43 GLN HB3 2.650 . 3.500 2.373 2.373 2.373 . 0 0 "[ ]" 1
1186 1 43 GLN HA 1 43 GLN HG2 2.650 . 3.500 2.616 2.616 2.616 . 0 0 "[ ]" 1
1187 1 43 GLN HB2 1 43 GLN HG3 2.650 . 3.500 2.337 2.337 2.337 . 0 0 "[ ]" 1
1188 1 43 GLN HB3 1 43 GLN HG3 2.300 . 2.800 2.981 2.981 2.981 0.181 1 0 "[ ]" 1
1189 1 44 LEU HA 1 45 PRO HD3 2.650 . 3.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
1190 1 44 LEU HA 1 45 PRO HD2 2.650 . 3.500 2.249 2.249 2.249 . 0 0 "[ ]" 1
1191 1 44 LEU HB3 1 44 LEU HG 2.650 . 3.500 3.008 3.008 3.008 . 0 0 "[ ]" 1
1192 1 45 PRO HA 1 45 PRO QG 3.550 . 5.300 3.513 3.513 3.513 . 0 0 "[ ]" 1
1193 1 45 PRO HA 1 46 VAL MG2 3.650 . 5.500 3.928 3.928 3.928 . 0 0 "[ ]" 1
1194 1 45 PRO HA 1 45 PRO HB3 2.650 . 3.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
1195 1 45 PRO HB2 1 45 PRO HD3 3.400 . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
1196 1 46 VAL HA 1 46 VAL MG1 2.900 . 4.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
1197 1 46 VAL HA 1 46 VAL HB 2.650 . 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
1198 1 46 VAL HA 1 46 VAL MG2 2.900 . 4.000 2.244 2.244 2.244 . 0 0 "[ ]" 1
1199 1 47 LEU HA 1 47 LEU HB2 2.650 . 3.500 2.694 2.694 2.694 . 0 0 "[ ]" 1
1200 1 47 LEU HA 1 47 LEU HB3 2.650 . 3.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
1201 1 47 LEU HB2 1 71 LEU MD2 3.650 . 5.500 3.723 3.723 3.723 . 0 0 "[ ]" 1
1202 1 47 LEU HB3 1 71 LEU MD2 3.650 . 5.500 4.330 4.330 4.330 . 0 0 "[ ]" 1
1203 1 48 ASP HA 1 48 ASP HB2 2.300 . 2.800 2.870 2.870 2.870 0.070 1 0 "[ ]" 1
1204 1 48 ASP HA 1 48 ASP HB3 2.300 . 2.800 2.840 2.840 2.840 0.040 1 0 "[ ]" 1
1205 1 49 LYS HA 1 49 LYS HD2 2.650 . 3.500 3.096 3.096 3.096 . 0 0 "[ ]" 1
1206 1 49 LYS HA 1 49 LYS HD3 3.400 . 5.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
1207 1 49 LYS HA 1 49 LYS HG3 2.650 . 3.500 2.006 2.006 2.006 . 0 0 "[ ]" 1
1208 1 49 LYS HA 1 49 LYS HG2 3.400 . 5.000 3.381 3.381 3.381 . 0 0 "[ ]" 1
1209 1 49 LYS HA 1 49 LYS HE3 2.650 . 3.500 3.384 3.384 3.384 . 0 0 "[ ]" 1
1210 1 49 LYS QB 1 49 LYS HE3 3.550 . 5.300 3.934 3.934 3.934 . 0 0 "[ ]" 1
1211 1 49 LYS HA 1 49 LYS HE2 3.400 . 5.000 4.730 4.730 4.730 . 0 0 "[ ]" 1
1212 1 49 LYS HD2 1 49 LYS HE3 2.650 . 3.500 2.657 2.657 2.657 . 0 0 "[ ]" 1
1213 1 49 LYS HD3 1 49 LYS HE3 2.650 . 3.500 3.008 3.008 3.008 . 0 0 "[ ]" 1
1214 1 49 LYS HE3 1 49 LYS HG2 2.650 . 3.500 3.139 3.139 3.139 . 0 0 "[ ]" 1
1215 1 49 LYS HE3 1 49 LYS HG3 2.650 . 3.500 2.115 2.115 2.115 . 0 0 "[ ]" 1
1216 1 49 LYS QB 1 49 LYS HE2 3.550 . 5.300 4.269 4.269 4.269 . 0 0 "[ ]" 1
1217 1 49 LYS HE2 1 49 LYS HG2 2.650 . 3.500 3.077 3.077 3.077 . 0 0 "[ ]" 1
1218 1 49 LYS HD2 1 49 LYS HE2 2.650 . 3.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
1219 1 49 LYS HE2 1 49 LYS HG3 2.650 . 3.500 3.067 3.067 3.067 . 0 0 "[ ]" 1
1220 1 49 LYS HD3 1 49 LYS HE2 2.650 . 3.500 2.333 2.333 2.333 . 0 0 "[ ]" 1
1221 1 49 LYS QB 1 49 LYS HD2 2.800 . 3.800 2.213 2.213 2.213 . 0 0 "[ ]" 1
1222 1 49 LYS QB 1 49 LYS HD3 2.800 . 3.800 2.657 2.657 2.657 . 0 0 "[ ]" 1
1223 1 49 LYS HD3 1 49 LYS HG3 2.650 . 3.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
1224 1 49 LYS HD2 1 49 LYS HG3 2.650 . 3.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
1225 1 49 LYS HD2 1 49 LYS HG2 2.650 . 3.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
1226 1 49 LYS HD3 1 49 LYS HG2 2.650 . 3.500 2.313 2.313 2.313 . 0 0 "[ ]" 1
1227 1 34 ILE MD 1 50 THR HB 3.650 . 5.500 4.467 4.467 4.467 . 0 0 "[ ]" 1
1228 1 36 GLU QG 1 50 THR HB 3.550 . 5.300 4.548 4.548 4.548 . 0 0 "[ ]" 1
1229 1 34 ILE MG 1 50 THR HB 3.650 . 5.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
1230 1 50 THR HA 1 50 THR HB 2.650 . 3.500 3.039 3.039 3.039 . 0 0 "[ ]" 1
1231 1 35 ILE HB 1 50 THR HA 3.400 . 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
1232 1 50 THR HA 1 50 THR MG 2.900 . 4.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
1233 1 34 ILE MD 1 50 THR HA 4.150 . 6.500 5.141 5.141 5.141 . 0 0 "[ ]" 1
1234 1 34 ILE MD 1 50 THR MG 3.900 . 6.000 3.228 3.228 3.228 . 0 0 "[ ]" 1
1235 1 34 ILE MG 1 50 THR MG 3.900 . 6.000 2.375 2.375 2.375 . 0 0 "[ ]" 1
1236 1 51 LYS HA 1 51 LYS QD 3.550 . 5.300 3.852 3.852 3.852 . 0 0 "[ ]" 1
1237 1 34 ILE MD 1 51 LYS HA 3.650 . 5.500 2.247 2.247 2.247 . 0 0 "[ ]" 1
1238 1 51 LYS HA 1 51 LYS HB3 2.650 . 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
1239 1 51 LYS HA 1 51 LYS HG2 2.650 . 3.500 3.463 3.463 3.463 . 0 0 "[ ]" 1
1240 1 51 LYS HA 1 51 LYS HG3 2.650 . 3.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
1241 1 51 LYS HA 1 51 LYS HB2 2.650 . 3.500 2.382 2.382 2.382 . 0 0 "[ ]" 1
1242 1 51 LYS HE2 1 51 LYS HG3 3.400 . 5.000 4.189 4.189 4.189 . 0 0 "[ ]" 1
1243 1 23 ILE MD 1 51 LYS HE2 3.650 . 5.500 4.094 4.094 4.094 . 0 0 "[ ]" 1
1244 1 51 LYS HB2 1 51 LYS HE2 2.650 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
1245 1 51 LYS HB3 1 51 LYS HE2 2.650 . 3.500 3.316 3.316 3.316 . 0 0 "[ ]" 1
1246 1 51 LYS HE2 1 51 LYS HG2 3.400 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
1247 1 23 ILE MD 1 51 LYS HE3 3.650 . 5.500 4.210 4.210 4.210 . 0 0 "[ ]" 1
1248 1 51 LYS HE3 1 51 LYS HG2 3.400 . 5.000 2.279 2.279 2.279 . 0 0 "[ ]" 1
1249 1 51 LYS HB2 1 51 LYS HE3 2.650 . 3.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
1250 1 51 LYS HE3 1 51 LYS HG3 3.400 . 5.000 3.524 3.524 3.524 . 0 0 "[ ]" 1
1251 1 51 LYS HB3 1 51 LYS HE3 2.650 . 3.500 2.318 2.318 2.318 . 0 0 "[ ]" 1
1252 1 51 LYS HB3 1 51 LYS QD 2.800 . 3.800 2.963 2.963 2.963 . 0 0 "[ ]" 1
1253 1 34 ILE MD 1 51 LYS HB3 3.650 . 5.500 3.212 3.212 3.212 . 0 0 "[ ]" 1
1254 1 34 ILE MD 1 51 LYS HB2 3.650 . 5.500 1.856 1.856 1.856 . 0 0 "[ ]" 1
1255 1 51 LYS HB2 1 51 LYS QD 3.550 . 5.300 2.211 2.211 2.211 . 0 0 "[ ]" 1
1256 1 51 LYS HB2 1 51 LYS HG2 2.650 . 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
1257 1 51 LYS HB3 1 51 LYS HG2 2.650 . 3.500 2.371 2.371 2.371 . 0 0 "[ ]" 1
1258 1 51 LYS HB2 1 51 LYS HG3 2.650 . 3.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
1259 1 51 LYS HB3 1 51 LYS HG3 2.650 . 3.500 3.022 3.022 3.022 . 0 0 "[ ]" 1
1260 1 23 ILE MD 1 51 LYS QD 3.800 . 5.800 2.310 2.310 2.310 . 0 0 "[ ]" 1
1261 1 34 ILE MD 1 51 LYS HG3 3.650 . 5.500 1.952 1.952 1.952 . 0 0 "[ ]" 1
1262 1 52 PHE HA 1 52 PHE HB3 2.650 . 3.500 2.263 2.263 2.263 . 0 0 "[ ]" 1
1263 1 52 PHE HA 1 52 PHE HB2 2.650 . 3.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
1264 1 33 VAL HB 1 52 PHE HB2 3.400 . 5.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
1265 1 52 PHE HB2 1 54 VAL MG2 3.650 . 5.500 3.363 3.363 3.363 . 0 0 "[ ]" 1
1266 1 33 VAL HB 1 52 PHE HB3 3.400 . 5.000 5.044 5.044 5.044 0.044 1 0 "[ ]" 1
1267 1 53 LEU HA 1 53 LEU HG 2.650 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
1268 1 33 VAL MG2 1 53 LEU HA 3.650 . 5.500 3.534 3.534 3.534 . 0 0 "[ ]" 1
1269 1 53 LEU HA 1 53 LEU MD1 3.650 . 5.500 3.886 3.886 3.886 . 0 0 "[ ]" 1
1270 1 53 LEU HA 1 53 LEU HB2 2.650 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
1271 1 53 LEU HA 1 53 LEU MD2 2.900 . 4.000 2.107 2.107 2.107 . 0 0 "[ ]" 1
1272 1 53 LEU HA 1 53 LEU HB3 2.650 . 3.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
1273 1 53 LEU HB3 1 53 LEU HG 2.650 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
1274 1 53 LEU HB2 1 53 LEU HG 2.650 . 3.500 2.550 2.550 2.550 . 0 0 "[ ]" 1
1275 1 30 LYS HB2 1 53 LEU HB3 3.400 . 5.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
1276 1 23 ILE MG 1 53 LEU MD1 3.900 . 6.000 3.090 3.090 3.090 . 0 0 "[ ]" 1
1277 1 27 HIS HB2 1 53 LEU MD1 3.650 . 5.500 3.559 3.559 3.559 . 0 0 "[ ]" 1
1278 1 23 ILE MG 1 53 LEU MD2 3.900 . 6.000 1.802 1.802 1.802 . 0 0 "[ ]" 1
1279 1 54 VAL HA 1 55 PRO HD3 2.650 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
1280 1 54 VAL HA 1 55 PRO HD2 2.650 . 3.500 2.287 2.287 2.287 . 0 0 "[ ]" 1
1281 1 54 VAL HA 1 54 VAL HB 2.650 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 1
1282 1 54 VAL HA 1 54 VAL MG1 2.900 . 4.000 2.485 2.485 2.485 . 0 0 "[ ]" 1
1283 1 31 ILE MG 1 54 VAL HB 3.650 . 5.500 3.510 3.510 3.510 . 0 0 "[ ]" 1
1284 1 53 LEU HA 1 54 VAL MG2 3.650 . 5.500 3.431 3.431 3.431 . 0 0 "[ ]" 1
1285 1 55 PRO HA 1 55 PRO HB3 2.650 . 3.500 2.313 2.313 2.313 . 0 0 "[ ]" 1
1286 1 30 LYS HA 1 55 PRO HA 2.650 . 3.500 2.815 2.815 2.815 . 0 0 "[ ]" 1
1287 1 30 LYS HB2 1 55 PRO HA 3.400 . 5.000 4.775 4.775 4.775 . 0 0 "[ ]" 1
1288 1 30 LYS HB3 1 55 PRO HA 2.650 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
1289 1 30 LYS QG 1 55 PRO HA 3.550 . 5.300 2.950 2.950 2.950 . 0 0 "[ ]" 1
1290 1 55 PRO HD2 1 58 VAL MG1 3.650 . 5.500 2.895 2.895 2.895 . 0 0 "[ ]" 1
1291 1 54 VAL MG2 1 55 PRO HD2 3.650 . 5.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
1292 1 54 VAL MG1 1 55 PRO HD2 3.650 . 5.500 1.821 1.821 1.821 . 0 0 "[ ]" 1
1293 1 55 PRO HB3 1 55 PRO HG2 2.650 . 3.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
1294 1 55 PRO HB2 1 58 VAL MG1 3.650 . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
1295 1 55 PRO HB2 1 55 PRO HG3 2.650 . 3.500 2.670 2.670 2.670 . 0 0 "[ ]" 1
1296 1 55 PRO HB2 1 58 VAL MG2 3.650 . 5.500 3.225 3.225 3.225 . 0 0 "[ ]" 1
1297 1 55 PRO HG2 1 58 VAL MG1 3.650 . 5.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
1298 1 55 PRO HA 1 55 PRO HG2 3.400 . 5.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
1299 1 56 ASP HA 1 95 ILE MG 3.650 . 5.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
1300 1 31 ILE MD 1 56 ASP HA 3.650 . 5.500 1.944 1.944 1.944 . 0 0 "[ ]" 1
1301 1 56 ASP HA 1 56 ASP HB3 2.650 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
1302 1 31 ILE HG13 1 56 ASP HA 2.650 . 3.500 2.131 2.131 2.131 . 0 0 "[ ]" 1
1303 1 56 ASP HA 1 56 ASP HB2 2.650 . 3.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
1304 1 31 ILE HG12 1 56 ASP HA 2.650 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
1305 1 31 ILE HG13 1 56 ASP HB2 3.400 . 5.000 2.597 2.597 2.597 . 0 0 "[ ]" 1
1306 1 31 ILE MD 1 56 ASP HB3 3.650 . 5.500 4.259 4.259 4.259 . 0 0 "[ ]" 1
1307 1 31 ILE MD 1 56 ASP HB2 3.650 . 5.500 3.436 3.436 3.436 . 0 0 "[ ]" 1
1308 1 56 ASP HB2 1 96 SER HA 3.400 . 5.000 4.531 4.531 4.531 . 0 0 "[ ]" 1
1309 1 31 ILE HG12 1 56 ASP HB2 3.400 . 5.000 3.388 3.388 3.388 . 0 0 "[ ]" 1
1310 1 31 ILE HG12 1 56 ASP HB3 3.400 . 5.000 5.014 5.014 5.014 0.014 1 0 "[ ]" 1
1311 1 57 HIS HA 1 57 HIS HB3 2.650 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
1312 1 57 HIS HA 1 57 HIS HB2 2.650 . 3.500 2.547 2.547 2.547 . 0 0 "[ ]" 1
1313 1 58 VAL HA 1 58 VAL HB 2.650 . 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 1
1314 1 58 VAL HA 1 58 VAL MG2 2.900 . 4.000 2.113 2.113 2.113 . 0 0 "[ ]" 1
1315 1 58 VAL MG2 1 95 ILE MG 3.900 . 6.000 4.079 4.079 4.079 . 0 0 "[ ]" 1
1316 1 55 PRO HG2 1 58 VAL MG2 3.650 . 5.500 1.927 1.927 1.927 . 0 0 "[ ]" 1
1317 1 55 PRO HB3 1 58 VAL MG2 3.650 . 5.500 4.083 4.083 4.083 . 0 0 "[ ]" 1
1318 1 58 VAL MG1 1 95 ILE HB 3.650 . 5.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
1319 1 59 ASN HA 1 59 ASN HB2 2.650 . 3.500 3.038 3.038 3.038 . 0 0 "[ ]" 1
1320 1 59 ASN HA 1 59 ASN HB3 2.650 . 3.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
1321 1 59 ASN HA 1 94 PRO HB3 3.400 . 5.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
1322 1 60 MET HA 1 60 MET HG2 2.650 . 3.500 2.192 2.192 2.192 . 0 0 "[ ]" 1
1323 1 60 MET HA 1 95 ILE MD 3.650 . 5.500 3.408 3.408 3.408 . 0 0 "[ ]" 1
1324 1 60 MET HA 1 60 MET HB2 2.650 . 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
1325 1 60 MET HA 1 63 LEU HB2 3.400 . 5.000 3.330 3.330 3.330 . 0 0 "[ ]" 1
1326 1 60 MET HA 1 60 MET HB3 2.650 . 3.500 2.579 2.579 2.579 . 0 0 "[ ]" 1
1327 1 60 MET HA 1 60 MET HG3 2.650 . 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 1
1328 1 60 MET HB2 1 60 MET HG2 2.650 . 3.500 2.903 2.903 2.903 . 0 0 "[ ]" 1
1329 1 60 MET HG2 1 98 VAL MG1 3.650 . 5.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
1330 1 60 MET HB3 1 60 MET HG2 2.650 . 3.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
1331 1 60 MET HG2 1 98 VAL MG2 3.650 . 5.500 3.014 3.014 3.014 . 0 0 "[ ]" 1
1332 1 60 MET HG3 1 98 VAL MG1 3.650 . 5.500 3.288 3.288 3.288 . 0 0 "[ ]" 1
1333 1 60 MET HG3 1 98 VAL MG2 3.650 . 5.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
1334 1 60 MET HB3 1 60 MET HG3 2.650 . 3.500 2.896 2.896 2.896 . 0 0 "[ ]" 1
1335 1 60 MET HB2 1 91 VAL MG1 3.650 . 5.500 4.685 4.685 4.685 . 0 0 "[ ]" 1
1336 1 60 MET HB2 1 60 MET HG3 2.650 . 3.500 2.259 2.259 2.259 . 0 0 "[ ]" 1
1337 1 60 MET HB2 1 91 VAL MG2 3.650 . 5.500 2.607 2.607 2.607 . 0 0 "[ ]" 1
1338 1 61 SER QB 1 64 ILE HB 3.550 . 5.300 4.424 4.424 4.424 . 0 0 "[ ]" 1
1339 1 61 SER QB 1 91 VAL HB 3.550 . 5.300 4.301 4.301 4.301 . 0 0 "[ ]" 1
1340 1 61 SER HA 1 61 SER QB 2.450 . 3.100 2.207 2.207 2.207 . 0 0 "[ ]" 1
1341 1 61 SER HA 1 91 VAL HB 2.650 . 3.500 3.603 3.603 3.603 0.103 1 0 "[ ]" 1
1342 1 61 SER HA 1 64 ILE MD 3.650 . 5.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
1343 1 61 SER HA 1 64 ILE HB 2.650 . 3.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
1344 1 62 GLU HA 1 62 GLU HB3 2.650 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
1345 1 62 GLU HA 1 62 GLU HG2 2.650 . 3.500 3.582 3.582 3.582 0.082 1 0 "[ ]" 1
1346 1 62 GLU HA 1 62 GLU HG3 2.650 . 3.500 2.465 2.465 2.465 . 0 0 "[ ]" 1
1347 1 62 GLU HA 1 62 GLU HB2 2.650 . 3.500 2.658 2.658 2.658 . 0 0 "[ ]" 1
1348 1 58 VAL MG1 1 62 GLU HG3 3.650 . 5.500 3.591 3.591 3.591 . 0 0 "[ ]" 1
1349 1 58 VAL MG2 1 62 GLU HG3 3.650 . 5.500 3.228 3.228 3.228 . 0 0 "[ ]" 1
1350 1 62 GLU HG3 1 66 ILE MD 3.650 . 5.500 2.694 2.694 2.694 . 0 0 "[ ]" 1
1351 1 58 VAL MG2 1 62 GLU HG2 3.650 . 5.500 1.834 1.834 1.834 . 0 0 "[ ]" 1
1352 1 58 VAL MG1 1 62 GLU HG2 3.650 . 5.500 2.856 2.856 2.856 . 0 0 "[ ]" 1
1353 1 58 VAL MG1 1 62 GLU HB3 3.650 . 5.500 1.699 1.699 1.699 0.101 1 0 "[ ]" 1
1354 1 58 VAL MG2 1 62 GLU HB2 3.650 . 5.500 2.685 2.685 2.685 . 0 0 "[ ]" 1
1355 1 58 VAL MG1 1 62 GLU HB2 3.650 . 5.500 2.439 2.439 2.439 . 0 0 "[ ]" 1
1356 1 58 VAL MG2 1 62 GLU HB3 3.650 . 5.500 2.687 2.687 2.687 . 0 0 "[ ]" 1
1357 1 63 LEU HA 1 63 LEU HB2 2.650 . 3.500 2.450 2.450 2.450 . 0 0 "[ ]" 1
1358 1 63 LEU HA 1 63 LEU HB3 2.650 . 3.500 3.042 3.042 3.042 . 0 0 "[ ]" 1
1359 1 60 MET HA 1 63 LEU HB3 2.650 . 3.500 2.521 2.521 2.521 . 0 0 "[ ]" 1
1360 1 64 ILE HA 1 67 ILE MD 3.650 . 5.500 1.907 1.907 1.907 . 0 0 "[ ]" 1
1361 1 64 ILE HA 1 64 ILE HG13 2.650 . 3.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
1362 1 64 ILE HA 1 64 ILE HB 2.650 . 3.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
1363 1 64 ILE HA 1 64 ILE HG12 2.650 . 3.500 2.439 2.439 2.439 . 0 0 "[ ]" 1
1364 1 64 ILE HA 1 67 ILE HB 3.400 . 5.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
1365 1 64 ILE HB 1 64 ILE HG13 2.650 . 3.500 2.497 2.497 2.497 . 0 0 "[ ]" 1
1366 1 64 ILE MG 1 68 ARG HG3 3.650 . 5.500 3.349 3.349 3.349 . 0 0 "[ ]" 1
1367 1 64 ILE HA 1 64 ILE MD 3.650 . 5.500 3.776 3.776 3.776 . 0 0 "[ ]" 1
1368 1 65 LYS HA 1 68 ARG HD2 3.400 . 5.000 2.343 2.343 2.343 . 0 0 "[ ]" 1
1369 1 65 LYS HA 1 68 ARG QB 3.550 . 5.300 3.511 3.511 3.511 . 0 0 "[ ]" 1
1370 1 65 LYS HA 1 65 LYS HG3 2.650 . 3.500 3.096 3.096 3.096 . 0 0 "[ ]" 1
1371 1 65 LYS HA 1 65 LYS HB2 2.650 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
1372 1 65 LYS HA 1 65 LYS HB3 2.650 . 3.500 2.687 2.687 2.687 . 0 0 "[ ]" 1
1373 1 65 LYS HA 1 65 LYS HG2 2.650 . 3.500 2.083 2.083 2.083 . 0 0 "[ ]" 1
1374 1 64 ILE MG 1 65 LYS HA 3.650 . 5.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
1375 1 65 LYS HA 1 68 ARG HG2 3.400 . 5.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
1376 1 62 GLU HA 1 65 LYS HB2 2.650 . 3.500 2.167 2.167 2.167 . 0 0 "[ ]" 1
1377 1 65 LYS HB2 1 65 LYS HG2 2.650 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
1378 1 62 GLU HA 1 65 LYS HB3 2.650 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 1
1379 1 65 LYS HB3 1 65 LYS HG2 2.650 . 3.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
1380 1 62 GLU HA 1 65 LYS QD 3.550 . 5.300 3.090 3.090 3.090 . 0 0 "[ ]" 1
1381 1 65 LYS HB2 1 65 LYS HG3 2.650 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
1382 1 65 LYS QE 1 65 LYS HG3 3.550 . 5.300 2.353 2.353 2.353 . 0 0 "[ ]" 1
1383 1 65 LYS HB3 1 65 LYS HG3 2.650 . 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
1384 1 62 GLU HA 1 65 LYS HG3 3.400 . 5.000 3.299 3.299 3.299 . 0 0 "[ ]" 1
1385 1 66 ILE HA 1 66 ILE HB 2.650 . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 1
1386 1 66 ILE HA 1 66 ILE MG 2.900 . 4.000 2.486 2.486 2.486 . 0 0 "[ ]" 1
1387 1 66 ILE HA 1 66 ILE HG12 2.650 . 3.500 2.702 2.702 2.702 . 0 0 "[ ]" 1
1388 1 66 ILE HA 1 66 ILE HG13 2.650 . 3.500 2.569 2.569 2.569 . 0 0 "[ ]" 1
1389 1 66 ILE HA 1 69 ARG QD 3.550 . 5.300 3.300 3.300 3.300 . 0 0 "[ ]" 1
1390 1 66 ILE HB 1 66 ILE HG13 2.650 . 3.500 2.639 2.639 2.639 . 0 0 "[ ]" 1
1391 1 63 LEU HA 1 66 ILE HB 2.650 . 3.500 2.884 2.884 2.884 . 0 0 "[ ]" 1
1392 1 66 ILE HB 1 66 ILE HG12 2.650 . 3.500 3.009 3.009 3.009 . 0 0 "[ ]" 1
1393 1 63 LEU HA 1 66 ILE MG 3.650 . 5.500 4.129 4.129 4.129 . 0 0 "[ ]" 1
1394 1 66 ILE MG 1 67 ILE MD 4.400 . 7.000 4.592 4.592 4.592 . 0 0 "[ ]" 1
1395 1 66 ILE HG12 1 66 ILE MG 2.900 . 4.000 2.244 2.244 2.244 . 0 0 "[ ]" 1
1396 1 66 ILE HB 1 66 ILE MD 2.900 . 4.000 2.078 2.078 2.078 . 0 0 "[ ]" 1
1397 1 63 LEU HA 1 66 ILE MD 2.900 . 4.000 2.101 2.101 2.101 . 0 0 "[ ]" 1
1398 1 66 ILE HA 1 66 ILE MD 3.650 . 5.500 3.813 3.813 3.813 . 0 0 "[ ]" 1
1399 1 67 ILE HA 1 67 ILE HG12 2.650 . 3.500 2.654 2.654 2.654 . 0 0 "[ ]" 1
1400 1 67 ILE HA 1 67 ILE MD 3.650 . 5.500 3.858 3.858 3.858 . 0 0 "[ ]" 1
1401 1 67 ILE HA 1 67 ILE HG13 3.400 . 5.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
1402 1 67 ILE HA 1 70 ARG QB 3.550 . 5.300 1.880 1.880 1.880 . 0 0 "[ ]" 1
1403 1 67 ILE HA 1 67 ILE HB 2.650 . 3.500 3.042 3.042 3.042 . 0 0 "[ ]" 1
1404 1 66 ILE MG 1 67 ILE HA 3.650 . 5.500 3.328 3.328 3.328 . 0 0 "[ ]" 1
1405 1 67 ILE HB 1 67 ILE HG13 2.650 . 3.500 2.589 2.589 2.589 . 0 0 "[ ]" 1
1406 1 67 ILE HB 1 67 ILE HG12 2.650 . 3.500 3.024 3.024 3.024 . 0 0 "[ ]" 1
1407 1 64 ILE MG 1 67 ILE HB 3.650 . 5.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
1408 1 35 ILE MG 1 67 ILE MG 4.400 . 7.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
1409 1 67 ILE MD 1 70 ARG QB 4.300 . 6.800 5.040 5.040 5.040 . 0 0 "[ ]" 1
1410 1 68 ARG HA 1 71 LEU MD1 3.650 . 5.500 3.590 3.590 3.590 . 0 0 "[ ]" 1
1411 1 68 ARG HA 1 68 ARG HG2 2.650 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
1412 1 68 ARG HA 1 68 ARG HG3 3.400 . 5.000 3.615 3.615 3.615 . 0 0 "[ ]" 1
1413 1 68 ARG HD3 1 68 ARG HG2 2.650 . 3.500 2.771 2.771 2.771 . 0 0 "[ ]" 1
1414 1 68 ARG HD3 1 68 ARG HG3 2.650 . 3.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
1415 1 64 ILE MG 1 68 ARG HD3 3.650 . 5.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
1416 1 68 ARG HD2 1 68 ARG HG2 2.650 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
1417 1 68 ARG HD2 1 68 ARG HG3 2.650 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 1
1418 1 68 ARG QB 1 68 ARG HD2 3.550 . 5.300 2.897 2.897 2.897 . 0 0 "[ ]" 1
1419 1 64 ILE MG 1 68 ARG HD2 3.650 . 5.500 3.541 3.541 3.541 . 0 0 "[ ]" 1
1420 1 68 ARG QB 1 68 ARG HD3 3.550 . 5.300 2.029 2.029 2.029 . 0 0 "[ ]" 1
1421 1 64 ILE MG 1 68 ARG HG2 3.650 . 5.500 3.172 3.172 3.172 . 0 0 "[ ]" 1
1422 1 69 ARG HA 1 72 GLN HA 3.400 . 5.000 5.098 5.098 5.098 0.098 1 0 "[ ]" 1
1423 1 69 ARG HA 1 69 ARG QD 3.550 . 5.300 3.994 3.994 3.994 . 0 0 "[ ]" 1
1424 1 69 ARG HA 1 69 ARG HG3 2.650 . 3.500 2.758 2.758 2.758 . 0 0 "[ ]" 1
1425 1 69 ARG HA 1 69 ARG HG2 2.650 . 3.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
1426 1 69 ARG QB 1 69 ARG QD 2.950 . 4.100 2.146 2.146 2.146 . 0 0 "[ ]" 1
1427 1 69 ARG QB 1 69 ARG HG3 2.450 . 3.100 2.392 2.392 2.392 . 0 0 "[ ]" 1
1428 1 70 ARG HA 1 70 ARG HD2 3.400 . 5.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
1429 1 70 ARG HA 1 70 ARG HD3 3.400 . 5.000 3.161 3.161 3.161 . 0 0 "[ ]" 1
1430 1 70 ARG HA 1 70 ARG HG2 2.650 . 3.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
1431 1 66 ILE MG 1 70 ARG HD3 3.650 . 5.500 4.426 4.426 4.426 . 0 0 "[ ]" 1
1432 1 70 ARG HD3 1 70 ARG HG2 2.650 . 3.500 2.385 2.385 2.385 . 0 0 "[ ]" 1
1433 1 70 ARG QB 1 70 ARG HD3 2.800 . 3.800 2.635 2.635 2.635 . 0 0 "[ ]" 1
1434 1 70 ARG QB 1 70 ARG HD2 2.800 . 3.800 2.179 2.179 2.179 . 0 0 "[ ]" 1
1435 1 70 ARG HA 1 70 ARG HG3 2.650 . 3.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
1436 1 66 ILE MG 1 70 ARG HG2 3.650 . 5.500 3.194 3.194 3.194 . 0 0 "[ ]" 1
1437 1 70 ARG HD2 1 70 ARG HG3 2.650 . 3.500 2.584 2.584 2.584 . 0 0 "[ ]" 1
1438 1 70 ARG HD3 1 70 ARG HG3 2.650 . 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
1439 1 70 ARG HD2 1 70 ARG HG2 2.650 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1440 1 71 LEU HA 1 71 LEU HB2 2.650 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
1441 1 71 LEU HA 1 71 LEU MD1 3.650 . 5.500 3.810 3.810 3.810 . 0 0 "[ ]" 1
1442 1 71 LEU HA 1 71 LEU HB3 2.650 . 3.500 2.585 2.585 2.585 . 0 0 "[ ]" 1
1443 1 71 LEU HA 1 71 LEU MD2 2.900 . 4.000 2.117 2.117 2.117 . 0 0 "[ ]" 1
1444 1 71 LEU HA 1 71 LEU HG 2.650 . 3.500 2.773 2.773 2.773 . 0 0 "[ ]" 1
1445 1 71 LEU HB2 1 73 LEU MD2 3.650 . 5.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
1446 1 71 LEU HB3 1 73 LEU MD2 2.900 . 4.000 1.950 1.950 1.950 . 0 0 "[ ]" 1
1447 1 67 ILE MG 1 71 LEU MD1 3.900 . 6.000 1.998 1.998 1.998 . 0 0 "[ ]" 1
1448 1 71 LEU MD1 1 73 LEU MD1 3.900 . 6.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
1449 1 67 ILE HA 1 71 LEU MD1 3.650 . 5.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
1450 1 67 ILE MG 1 71 LEU HG 3.650 . 5.500 3.006 3.006 3.006 . 0 0 "[ ]" 1
1451 1 71 LEU HB3 1 71 LEU MD2 2.900 . 4.000 2.180 2.180 2.180 . 0 0 "[ ]" 1
1452 1 72 GLN HA 1 72 GLN QG 2.800 . 3.800 2.075 2.075 2.075 . 0 0 "[ ]" 1
1453 1 72 GLN HA 1 72 GLN HB3 2.650 . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
1454 1 72 GLN HA 1 72 GLN HB2 2.650 . 3.500 3.010 3.010 3.010 . 0 0 "[ ]" 1
1455 1 73 LEU HA 1 77 GLN HB3 3.400 . 5.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
1456 1 73 LEU HA 1 73 LEU HG 2.650 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
1457 1 73 LEU HA 1 73 LEU MD1 3.650 . 5.500 3.817 3.817 3.817 . 0 0 "[ ]" 1
1458 1 73 LEU QB 1 77 GLN HB3 3.550 . 5.300 2.412 2.412 2.412 . 0 0 "[ ]" 1
1459 1 73 LEU QB 1 77 GLN HB2 3.550 . 5.300 2.180 2.180 2.180 . 0 0 "[ ]" 1
1460 1 73 LEU MD1 1 77 GLN HB2 3.650 . 5.500 2.092 2.092 2.092 . 0 0 "[ ]" 1
1461 1 71 LEU HA 1 73 LEU MD2 3.650 . 5.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
1462 1 73 LEU MD2 1 77 GLN HG2 3.650 . 5.500 4.376 4.376 4.376 . 0 0 "[ ]" 1
1463 1 73 LEU QB 1 73 LEU MD2 3.050 . 4.300 2.067 2.067 2.067 . 0 0 "[ ]" 1
1464 1 73 LEU HA 1 73 LEU MD2 3.650 . 5.500 3.917 3.917 3.917 . 0 0 "[ ]" 1
1465 1 74 ASN HA 1 74 ASN HB3 2.650 . 3.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
1466 1 74 ASN HA 1 74 ASN HB2 2.650 . 3.500 2.832 2.832 2.832 . 0 0 "[ ]" 1
1467 1 74 ASN HA 1 75 ALA MB 3.650 . 5.500 4.276 4.276 4.276 . 0 0 "[ ]" 1
1468 1 75 ALA MB 1 76 ASN HA 3.650 . 5.500 3.896 3.896 3.896 . 0 0 "[ ]" 1
1469 1 75 ALA MB 1 76 ASN QB 4.300 . 6.800 4.156 4.156 4.156 . 0 0 "[ ]" 1
1470 1 77 GLN HA 1 77 GLN HB2 2.650 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
1471 1 77 GLN HA 1 78 ALA MB 3.650 . 5.500 4.021 4.021 4.021 . 0 0 "[ ]" 1
1472 1 77 GLN HA 1 77 GLN HG2 2.650 . 3.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
1473 1 73 LEU QB 1 77 GLN HG2 3.550 . 5.300 2.380 2.380 2.380 . 0 0 "[ ]" 1
1474 1 73 LEU MD1 1 77 GLN HG2 3.650 . 5.500 3.592 3.592 3.592 . 0 0 "[ ]" 1
1475 1 73 LEU MD1 1 77 GLN HG3 3.650 . 5.500 4.365 4.365 4.365 . 0 0 "[ ]" 1
1476 1 73 LEU QB 1 77 GLN HG3 3.550 . 5.300 3.704 3.704 3.704 . 0 0 "[ ]" 1
1477 1 73 LEU MD2 1 77 GLN HB2 3.650 . 5.500 4.242 4.242 4.242 . 0 0 "[ ]" 1
1478 1 73 LEU MD1 1 77 GLN HB3 3.650 . 5.500 2.167 2.167 2.167 . 0 0 "[ ]" 1
1479 1 73 LEU MD2 1 77 GLN HB3 3.650 . 5.500 3.707 3.707 3.707 . 0 0 "[ ]" 1
1480 1 79 PHE HA 1 79 PHE HB2 2.650 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
1481 1 79 PHE HA 1 79 PHE HB3 2.650 . 3.500 2.967 2.967 2.967 . 0 0 "[ ]" 1
1482 1 73 LEU MD1 1 79 PHE HA 3.650 . 5.500 3.517 3.517 3.517 . 0 0 "[ ]" 1
1483 1 73 LEU MD1 1 79 PHE HB3 3.650 . 5.500 4.602 4.602 4.602 . 0 0 "[ ]" 1
1484 1 73 LEU MD1 1 79 PHE HB2 3.650 . 5.500 3.250 3.250 3.250 . 0 0 "[ ]" 1
1485 1 80 PHE HA 1 81 LEU MD1 3.650 . 5.500 3.971 3.971 3.971 . 0 0 "[ ]" 1
1486 1 80 PHE HA 1 80 PHE HB3 2.650 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
1487 1 80 PHE HA 1 80 PHE HB2 2.650 . 3.500 3.041 3.041 3.041 . 0 0 "[ ]" 1
1488 1 80 PHE HB3 1 82 LEU MD2 3.650 . 5.500 3.771 3.771 3.771 . 0 0 "[ ]" 1
1489 1 80 PHE HB2 1 82 LEU MD2 3.650 . 5.500 4.273 4.273 4.273 . 0 0 "[ ]" 1
1490 1 81 LEU HA 1 81 LEU HB2 2.650 . 3.500 3.015 3.015 3.015 . 0 0 "[ ]" 1
1491 1 81 LEU HA 1 81 LEU HB3 2.650 . 3.500 2.623 2.623 2.623 . 0 0 "[ ]" 1
1492 1 81 LEU HA 1 81 LEU MD1 3.650 . 5.500 3.639 3.639 3.639 . 0 0 "[ ]" 1
1493 1 81 LEU HA 1 81 LEU MD2 3.650 . 5.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
1494 1 81 LEU HA 1 81 LEU HG 3.400 . 5.000 2.227 2.227 2.227 . 0 0 "[ ]" 1
1495 1 67 ILE MG 1 81 LEU MD2 3.900 . 6.000 2.615 2.615 2.615 . 0 0 "[ ]" 1
1496 1 67 ILE MD 1 81 LEU MD2 3.900 . 6.000 2.079 2.079 2.079 . 0 0 "[ ]" 1
1497 1 67 ILE MG 1 81 LEU MD1 3.900 . 6.000 2.268 2.268 2.268 . 0 0 "[ ]" 1
1498 1 67 ILE MD 1 81 LEU MD1 3.900 . 6.000 2.126 2.126 2.126 . 0 0 "[ ]" 1
1499 1 82 LEU HA 1 82 LEU HB2 2.650 . 3.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
1500 1 82 LEU HA 1 82 LEU MD2 3.650 . 5.500 3.614 3.614 3.614 . 0 0 "[ ]" 1
1501 1 82 LEU HA 1 82 LEU MD1 3.650 . 5.500 4.073 4.073 4.073 . 0 0 "[ ]" 1
1502 1 82 LEU HA 1 82 LEU HB3 2.650 . 3.500 2.430 2.430 2.430 . 0 0 "[ ]" 1
1503 1 82 LEU HA 1 82 LEU HG 3.400 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
1504 1 82 LEU HB3 1 82 LEU HG 2.650 . 3.500 2.981 2.981 2.981 . 0 0 "[ ]" 1
1505 1 82 LEU HB2 1 82 LEU HG 2.650 . 3.500 2.697 2.697 2.697 . 0 0 "[ ]" 1
1506 1 81 LEU HA 1 82 LEU HG 3.400 . 5.000 4.252 4.252 4.252 . 0 0 "[ ]" 1
1507 1 83 VAL HA 1 111 MET QB 3.550 . 5.300 3.895 3.895 3.895 . 0 0 "[ ]" 1
1508 1 83 VAL HA 1 83 VAL HB 2.650 . 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
1509 1 83 VAL HA 1 111 MET HG2 3.400 . 5.000 2.674 2.674 2.674 . 0 0 "[ ]" 1
1510 1 83 VAL HA 1 111 MET HG3 2.650 . 3.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
1511 1 83 VAL HA 1 111 MET HA 2.650 . 3.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
1512 1 83 VAL HA 1 83 VAL MG1 2.900 . 4.000 2.217 2.217 2.217 . 0 0 "[ ]" 1
1513 1 83 VAL HA 1 83 VAL MG2 2.900 . 4.000 2.417 2.417 2.417 . 0 0 "[ ]" 1
1514 1 83 VAL MG1 1 102 GLU HG3 3.650 . 5.500 4.166 4.166 4.166 . 0 0 "[ ]" 1
1515 1 83 VAL MG1 1 111 MET HA 3.650 . 5.500 3.151 3.151 3.151 . 0 0 "[ ]" 1
1516 1 84 ASN HA 1 84 ASN HB2 2.650 . 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 1
1517 1 84 ASN HA 1 84 ASN HB3 2.650 . 3.500 2.521 2.521 2.521 . 0 0 "[ ]" 1
1518 1 83 VAL MG1 1 84 ASN HB2 3.650 . 5.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
1519 1 83 VAL MG1 1 84 ASN HB3 3.650 . 5.500 4.450 4.450 4.450 . 0 0 "[ ]" 1
1520 1 82 LEU MD1 1 85 GLY HA3 3.650 . 5.500 3.201 3.201 3.201 . 0 0 "[ ]" 1
1521 1 82 LEU MD1 1 85 GLY HA2 3.650 . 5.500 1.851 1.851 1.851 . 0 0 "[ ]" 1
1522 1 86 HIS HA 1 86 HIS HB3 2.650 . 3.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
1523 1 86 HIS HA 1 86 HIS HB2 2.650 . 3.500 2.992 2.992 2.992 . 0 0 "[ ]" 1
1524 1 82 LEU MD1 1 86 HIS HA 3.650 . 5.500 3.342 3.342 3.342 . 0 0 "[ ]" 1
1525 1 87 SER HA 1 87 SER HB2 2.650 . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
1526 1 87 SER HA 1 87 SER HB3 2.650 . 3.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
1527 1 82 LEU MD1 1 87 SER HB3 3.650 . 5.500 3.941 3.941 3.941 . 0 0 "[ ]" 1
1528 1 82 LEU MD1 1 87 SER HB2 3.650 . 5.500 4.172 4.172 4.172 . 0 0 "[ ]" 1
1529 1 88 MET HA 1 88 MET QG 2.800 . 3.800 2.153 2.153 2.153 . 0 0 "[ ]" 1
1530 1 88 MET HA 1 88 MET HB2 2.650 . 3.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
1531 1 88 MET HA 1 89 VAL MG2 2.900 . 4.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
1532 1 88 MET HA 1 88 MET HB3 2.650 . 3.500 2.884 2.884 2.884 . 0 0 "[ ]" 1
1533 1 88 MET HB2 1 88 MET QG 2.450 . 3.100 2.333 2.333 2.333 . 0 0 "[ ]" 1
1534 1 89 VAL HA 1 89 VAL MG1 2.900 . 4.000 2.195 2.195 2.195 . 0 0 "[ ]" 1
1535 1 89 VAL HA 1 89 VAL MG2 2.900 . 4.000 2.449 2.449 2.449 . 0 0 "[ ]" 1
1536 1 89 VAL HA 1 89 VAL HB 2.650 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1537 1 60 MET HG2 1 91 VAL HA 3.400 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 1
1538 1 60 MET HB2 1 91 VAL HA 2.650 . 3.500 2.170 2.170 2.170 . 0 0 "[ ]" 1
1539 1 60 MET HG3 1 91 VAL HA 3.400 . 5.000 3.644 3.644 3.644 . 0 0 "[ ]" 1
1540 1 91 VAL HA 1 91 VAL HB 2.650 . 3.500 2.412 2.412 2.412 . 0 0 "[ ]" 1
1541 1 91 VAL HA 1 91 VAL MG1 2.900 . 4.000 3.201 3.201 3.201 . 0 0 "[ ]" 1
1542 1 91 VAL MG1 1 92 SER HB2 3.650 . 5.500 3.934 3.934 3.934 . 0 0 "[ ]" 1
1543 1 61 SER QB 1 91 VAL MG2 3.800 . 5.800 1.851 1.851 1.851 . 0 0 "[ ]" 1
1544 1 92 SER HA 1 92 SER HB3 2.650 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
1545 1 92 SER HA 1 92 SER HB2 2.300 . 2.800 2.386 2.386 2.386 . 0 0 "[ ]" 1
1546 1 59 ASN HB2 1 92 SER HA 3.400 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
1547 1 59 ASN HB3 1 92 SER HA 2.650 . 3.500 3.585 3.585 3.585 0.085 1 0 "[ ]" 1
1548 1 91 VAL MG2 1 92 SER HA 3.650 . 5.500 3.397 3.397 3.397 . 0 0 "[ ]" 1
1549 1 91 VAL MG1 1 92 SER HA 3.650 . 5.500 4.494 4.494 4.494 . 0 0 "[ ]" 1
1550 1 60 MET HG2 1 93 THR HB 3.400 . 5.000 3.676 3.676 3.676 . 0 0 "[ ]" 1
1551 1 93 THR HA 1 93 THR HB 2.650 . 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
1552 1 93 THR HB 1 98 VAL MG2 2.900 . 4.000 1.734 1.734 1.734 0.066 1 0 "[ ]" 1
1553 1 60 MET HG3 1 93 THR HB 2.650 . 3.500 2.383 2.383 2.383 . 0 0 "[ ]" 1
1554 1 93 THR HB 1 98 VAL MG1 2.900 . 4.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
1555 1 93 THR HA 1 93 THR MG 2.900 . 4.000 2.257 2.257 2.257 . 0 0 "[ ]" 1
1556 1 93 THR MG 1 98 VAL MG2 3.150 . 4.500 1.754 1.754 1.754 0.046 1 0 "[ ]" 1
1557 1 93 THR MG 1 98 VAL MG1 3.900 . 6.000 3.438 3.438 3.438 . 0 0 "[ ]" 1
1558 1 94 PRO HA 1 94 PRO HB3 2.650 . 3.500 2.313 2.313 2.313 . 0 0 "[ ]" 1
1559 1 59 ASN HB3 1 94 PRO HA 3.400 . 5.000 3.269 3.269 3.269 . 0 0 "[ ]" 1
1560 1 59 ASN HA 1 94 PRO HA 2.650 . 3.500 1.766 1.766 1.766 0.034 1 0 "[ ]" 1
1561 1 59 ASN HB2 1 94 PRO HA 3.400 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
1562 1 95 ILE HA 1 98 VAL HB 2.650 . 3.500 1.890 1.890 1.890 . 0 0 "[ ]" 1
1563 1 95 ILE HA 1 95 ILE HG13 2.650 . 3.500 2.613 2.613 2.613 . 0 0 "[ ]" 1
1564 1 95 ILE HA 1 98 VAL MG2 3.650 . 5.500 2.678 2.678 2.678 . 0 0 "[ ]" 1
1565 1 95 ILE HA 1 95 ILE HB 2.650 . 3.500 2.541 2.541 2.541 . 0 0 "[ ]" 1
1566 1 95 ILE HA 1 95 ILE MD 3.650 . 5.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
1567 1 95 ILE HB 1 95 ILE HG12 2.650 . 3.500 2.644 2.644 2.644 . 0 0 "[ ]" 1
1568 1 95 ILE HB 1 95 ILE HG13 2.650 . 3.500 3.001 3.001 3.001 . 0 0 "[ ]" 1
1569 1 95 ILE HG12 1 95 ILE MG 2.900 . 4.000 2.227 2.227 2.227 . 0 0 "[ ]" 1
1570 1 95 ILE HG13 1 95 ILE MG 2.900 . 4.000 2.578 2.578 2.578 . 0 0 "[ ]" 1
1571 1 31 ILE MD 1 95 ILE HG12 3.650 . 5.500 2.607 2.607 2.607 . 0 0 "[ ]" 1
1572 1 31 ILE MG 1 95 ILE HG12 3.650 . 5.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
1573 1 31 ILE MD 1 95 ILE HG13 3.650 . 5.500 1.953 1.953 1.953 . 0 0 "[ ]" 1
1574 1 31 ILE MG 1 95 ILE HG13 3.650 . 5.500 2.371 2.371 2.371 . 0 0 "[ ]" 1
1575 1 95 ILE HA 1 95 ILE HG12 3.400 . 5.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
1576 1 31 ILE MD 1 95 ILE MG 3.900 . 6.000 1.788 1.788 1.788 0.012 1 0 "[ ]" 1
1577 1 95 ILE MD 1 98 VAL HB 3.650 . 5.500 3.087 3.087 3.087 . 0 0 "[ ]" 1
1578 1 31 ILE MD 1 95 ILE MD 4.400 . 7.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
1579 1 31 ILE MD 1 96 SER HA 3.650 . 5.500 1.791 1.791 1.791 0.009 1 0 "[ ]" 1
1580 1 95 ILE MG 1 96 SER HA 3.650 . 5.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
1581 1 56 ASP HB3 1 96 SER HA 3.400 . 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 1
1582 1 97 GLU HA 1 100 GLU QG 3.550 . 5.300 3.590 3.590 3.590 . 0 0 "[ ]" 1
1583 1 97 GLU HA 1 97 GLU QG 2.800 . 3.800 2.093 2.093 2.093 . 0 0 "[ ]" 1
1584 1 93 THR MG 1 97 GLU QB 3.800 . 5.800 3.104 3.104 3.104 . 0 0 "[ ]" 1
1585 1 98 VAL HA 1 102 GLU HG3 2.650 . 3.500 3.479 3.479 3.479 . 0 0 "[ ]" 1
1586 1 93 THR MG 1 98 VAL HA 3.650 . 5.500 3.367 3.367 3.367 . 0 0 "[ ]" 1
1587 1 98 VAL HA 1 98 VAL HB 2.650 . 3.500 3.044 3.044 3.044 . 0 0 "[ ]" 1
1588 1 98 VAL HA 1 98 VAL MG1 2.900 . 4.000 2.328 2.328 2.328 . 0 0 "[ ]" 1
1589 1 98 VAL HA 1 98 VAL MG2 2.900 . 4.000 2.451 2.451 2.451 . 0 0 "[ ]" 1
1590 1 98 VAL HA 1 101 SER QB 2.800 . 3.800 2.750 2.750 2.750 . 0 0 "[ ]" 1
1591 1 95 ILE HG13 1 98 VAL HB 3.400 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
1592 1 95 ILE MD 1 98 VAL MG2 3.900 . 6.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
1593 1 99 TYR HA 1 109 LEU HB2 3.400 . 5.000 3.466 3.466 3.466 . 0 0 "[ ]" 1
1594 1 99 TYR HA 1 99 TYR HB3 2.650 . 3.500 3.039 3.039 3.039 . 0 0 "[ ]" 1
1595 1 99 TYR HA 1 99 TYR HB2 2.650 . 3.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
1596 1 31 ILE MG 1 99 TYR HB2 3.650 . 5.500 1.969 1.969 1.969 . 0 0 "[ ]" 1
1597 1 31 ILE MG 1 99 TYR HB3 3.650 . 5.500 2.725 2.725 2.725 . 0 0 "[ ]" 1
1598 1 100 GLU HA 1 103 LYS HD2 2.650 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
1599 1 100 GLU HA 1 103 LYS HE2 2.650 . 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
1600 1 100 GLU HA 1 100 GLU QG 3.550 . 5.300 2.345 2.345 2.345 . 0 0 "[ ]" 1
1601 1 101 SER QB 1 102 GLU HG3 2.800 . 3.800 2.520 2.520 2.520 . 0 0 "[ ]" 1
1602 1 101 SER QB 1 102 GLU HG2 3.550 . 5.300 3.487 3.487 3.487 . 0 0 "[ ]" 1
1603 1 102 GLU HA 1 102 GLU HG3 2.650 . 3.500 3.316 3.316 3.316 . 0 0 "[ ]" 1
1604 1 102 GLU HA 1 102 GLU HB3 2.650 . 3.500 2.456 2.456 2.456 . 0 0 "[ ]" 1
1605 1 102 GLU HA 1 102 GLU HB2 2.650 . 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
1606 1 83 VAL MG1 1 102 GLU HA 3.650 . 5.500 3.636 3.636 3.636 . 0 0 "[ ]" 1
1607 1 102 GLU HA 1 102 GLU HG2 3.400 . 5.000 2.408 2.408 2.408 . 0 0 "[ ]" 1
1608 1 102 GLU HB2 1 102 GLU HG2 2.650 . 3.500 3.022 3.022 3.022 . 0 0 "[ ]" 1
1609 1 83 VAL MG2 1 102 GLU HG2 3.650 . 5.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
1610 1 98 VAL MG1 1 102 GLU HG2 3.650 . 5.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
1611 1 102 GLU HB2 1 102 GLU HG3 2.650 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
1612 1 83 VAL MG1 1 102 GLU HB3 3.650 . 5.500 2.162 2.162 2.162 . 0 0 "[ ]" 1
1613 1 83 VAL MG1 1 102 GLU HB2 3.650 . 5.500 3.523 3.523 3.523 . 0 0 "[ ]" 1
1614 1 103 LYS HA 1 103 LYS HG2 2.650 . 3.500 2.119 2.119 2.119 . 0 0 "[ ]" 1
1615 1 103 LYS HA 1 103 LYS HB2 2.650 . 3.500 3.013 3.013 3.013 . 0 0 "[ ]" 1
1616 1 103 LYS HA 1 103 LYS HB3 2.650 . 3.500 2.623 2.623 2.623 . 0 0 "[ ]" 1
1617 1 103 LYS HA 1 103 LYS HD3 3.400 . 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
1618 1 103 LYS HA 1 109 LEU HA 2.650 . 3.500 3.089 3.089 3.089 . 0 0 "[ ]" 1
1619 1 103 LYS HA 1 103 LYS HD2 3.900 . 6.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
1620 1 103 LYS HB3 1 103 LYS HE2 3.400 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
1621 1 103 LYS HB2 1 103 LYS HE2 3.400 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1
1622 1 103 LYS HB3 1 103 LYS HE3 3.400 . 5.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
1623 1 103 LYS HD3 1 103 LYS HE2 2.650 . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
1624 1 103 LYS HD2 1 103 LYS HE2 2.650 . 3.500 2.991 2.991 2.991 . 0 0 "[ ]" 1
1625 1 103 LYS HE2 1 103 LYS HG2 2.650 . 3.500 2.445 2.445 2.445 . 0 0 "[ ]" 1
1626 1 103 LYS HD3 1 103 LYS HE3 2.650 . 3.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
1627 1 103 LYS HE3 1 103 LYS HG2 2.650 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
1628 1 103 LYS HD2 1 103 LYS HE3 2.650 . 3.500 2.313 2.313 2.313 . 0 0 "[ ]" 1
1629 1 100 GLU HA 1 103 LYS HE3 2.650 . 3.500 2.396 2.396 2.396 . 0 0 "[ ]" 1
1630 1 103 LYS HB3 1 103 LYS HG2 2.650 . 3.500 2.699 2.699 2.699 . 0 0 "[ ]" 1
1631 1 103 LYS HB3 1 103 LYS HD2 3.400 . 5.000 2.505 2.505 2.505 . 0 0 "[ ]" 1
1632 1 103 LYS HB2 1 103 LYS HG2 2.650 . 3.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
1633 1 103 LYS HB2 1 103 LYS HD2 2.650 . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
1634 1 103 LYS HD2 1 103 LYS HG2 2.650 . 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
1635 1 103 LYS HE3 1 103 LYS HG3 3.400 . 5.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
1636 1 104 ASP HA 1 104 ASP HB2 2.650 . 3.500 2.576 2.576 2.576 . 0 0 "[ ]" 1
1637 1 104 ASP HA 1 104 ASP HB3 2.650 . 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
1638 1 105 GLU HA 1 105 GLU QG 2.800 . 3.800 2.163 2.163 2.163 . 0 0 "[ ]" 1
1639 1 17 VAL MG1 1 106 ASP HA 3.650 . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
1640 1 105 GLU QB 1 106 ASP HA 3.550 . 5.300 4.018 4.018 4.018 . 0 0 "[ ]" 1
1641 1 106 ASP HA 1 106 ASP HB2 2.650 . 3.500 2.604 2.604 2.604 . 0 0 "[ ]" 1
1642 1 106 ASP HA 1 106 ASP HB3 2.650 . 3.500 2.351 2.351 2.351 . 0 0 "[ ]" 1
1643 1 17 VAL MG2 1 106 ASP HA 2.900 . 4.000 1.970 1.970 1.970 . 0 0 "[ ]" 1
1644 1 17 VAL MG2 1 106 ASP HB3 3.650 . 5.500 2.115 2.115 2.115 . 0 0 "[ ]" 1
1645 1 17 VAL MG2 1 106 ASP HB2 3.650 . 5.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
1646 1 103 LYS HD3 1 107 GLY HA2 3.400 . 5.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
1647 1 20 VAL MG2 1 107 GLY HA2 3.650 . 5.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
1648 1 20 VAL MG1 1 107 GLY HA2 3.650 . 5.500 4.171 4.171 4.171 . 0 0 "[ ]" 1
1649 1 20 VAL MG1 1 107 GLY HA3 3.650 . 5.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
1650 1 20 VAL MG2 1 107 GLY HA3 3.650 . 5.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
1651 1 20 VAL MG2 1 108 PHE HA 3.650 . 5.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
1652 1 32 PRO QG 1 108 PHE HA 3.550 . 5.300 2.592 2.592 2.592 . 0 0 "[ ]" 1
1653 1 109 LEU HA 1 109 LEU HB2 2.650 . 3.500 2.486 2.486 2.486 . 0 0 "[ ]" 1
1654 1 34 ILE MG 1 110 TYR HA 3.650 . 5.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
1655 1 33 VAL MG1 1 110 TYR HA 4.150 . 6.500 4.480 4.480 4.480 . 0 0 "[ ]" 1
1656 1 34 ILE HB 1 110 TYR HA 3.400 . 5.000 2.515 2.515 2.515 . 0 0 "[ ]" 1
1657 1 111 MET HA 1 111 MET HG2 3.400 . 5.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
1658 1 111 MET HA 1 112 VAL MG1 3.650 . 5.500 3.499 3.499 3.499 . 0 0 "[ ]" 1
1659 1 111 MET HA 1 111 MET HG3 2.650 . 3.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
1660 1 35 ILE MD 1 111 MET QB 4.300 . 6.800 2.794 2.794 2.794 . 0 0 "[ ]" 1
1661 1 83 VAL MG2 1 111 MET HG2 3.650 . 5.500 2.126 2.126 2.126 . 0 0 "[ ]" 1
1662 1 83 VAL MG2 1 111 MET HG3 3.650 . 5.500 2.138 2.138 2.138 . 0 0 "[ ]" 1
1663 1 112 VAL HA 1 112 VAL HB 2.650 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1
1664 1 35 ILE MG 1 112 VAL HA 3.650 . 5.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
1665 1 38 TYR HA 1 112 VAL HB 2.650 . 3.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
1666 1 38 TYR HB2 1 112 VAL MG2 3.650 . 5.500 2.753 2.753 2.753 . 0 0 "[ ]" 1
1667 1 38 TYR HA 1 112 VAL MG2 2.900 . 4.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
1668 1 112 VAL MG2 1 113 TYR HA 3.650 . 5.500 4.028 4.028 4.028 . 0 0 "[ ]" 1
1669 1 81 LEU HA 1 113 TYR HA 2.650 . 3.500 2.008 2.008 2.008 . 0 0 "[ ]" 1
1670 1 81 LEU MD2 1 113 TYR HA 3.650 . 5.500 2.655 2.655 2.655 . 0 0 "[ ]" 1
1671 1 113 TYR HA 1 114 ALA MB 3.650 . 5.500 3.665 3.665 3.665 . 0 0 "[ ]" 1
1672 1 113 TYR HA 1 113 TYR HB2 2.650 . 3.500 2.544 2.544 2.544 . 0 0 "[ ]" 1
1673 1 113 TYR HA 1 113 TYR HB3 2.650 . 3.500 2.387 2.387 2.387 . 0 0 "[ ]" 1
1674 1 81 LEU MD2 1 113 TYR HB2 3.650 . 5.500 3.227 3.227 3.227 . 0 0 "[ ]" 1
1675 1 81 LEU MD2 1 113 TYR HB3 3.650 . 5.500 1.972 1.972 1.972 . 0 0 "[ ]" 1
1676 1 113 TYR HB2 1 114 ALA HA 3.400 . 5.000 4.271 4.271 4.271 . 0 0 "[ ]" 1
1677 1 82 LEU MD2 1 114 ALA MB 3.900 . 6.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
1678 1 41 GLU HB2 1 114 ALA MB 3.650 . 5.500 2.730 2.730 2.730 . 0 0 "[ ]" 1
1679 1 115 SER HA 1 115 SER HB2 2.650 . 3.500 2.835 2.835 2.835 . 0 0 "[ ]" 1
1680 1 115 SER HA 1 115 SER HB3 2.650 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
1681 1 78 ALA MB 1 115 SER HB3 3.650 . 5.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
1682 1 78 ALA MB 1 115 SER HB2 3.650 . 5.500 3.820 3.820 3.820 . 0 0 "[ ]" 1
1683 1 78 ALA MB 1 115 SER HA 3.650 . 5.500 2.058 2.058 2.058 . 0 0 "[ ]" 1
1684 1 116 GLN HA 1 116 GLN HB2 2.650 . 3.500 2.940 2.940 2.940 . 0 0 "[ ]" 1
1685 1 116 GLN HA 1 116 GLN HB3 2.650 . 3.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
1686 1 116 GLN HA 1 116 GLN QG 3.550 . 5.300 2.164 2.164 2.164 . 0 0 "[ ]" 1
1687 1 78 ALA MB 1 116 GLN HA 3.650 . 5.500 3.993 3.993 3.993 . 0 0 "[ ]" 1
1688 1 117 GLU HA 1 117 GLU HG2 2.650 . 3.500 3.536 3.536 3.536 0.036 1 0 "[ ]" 1
1689 1 117 GLU HA 1 117 GLU HG3 3.400 . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
1690 1 117 GLU HG2 1 118 THR MG 4.150 . 6.500 3.056 3.056 3.056 . 0 0 "[ ]" 1
1691 1 118 THR HA 1 118 THR HB 2.300 . 2.800 2.566 2.566 2.566 . 0 0 "[ ]" 1
1692 1 118 THR HA 1 118 THR MG 2.900 . 4.000 2.213 2.213 2.213 . 0 0 "[ ]" 1
1693 1 119 PHE HA 1 119 PHE HB3 2.650 . 3.500 2.539 2.539 2.539 . 0 0 "[ ]" 1
1694 1 119 PHE HA 1 119 PHE HB2 2.650 . 3.500 3.033 3.033 3.033 . 0 0 "[ ]" 1
1695 1 7 PHE HA 1 7 PHE QE 3.650 . 5.500 4.425 4.425 4.425 . 0 0 "[ ]" 1
1696 1 7 PHE HA 1 7 PHE QD 3.650 . 5.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
1697 1 7 PHE HZ 1 51 LYS QD 4.050 . 6.300 3.972 3.972 3.972 . 0 0 "[ ]" 1
1698 1 7 PHE HZ 1 51 LYS HE2 3.400 . 5.000 3.125 3.125 3.125 . 0 0 "[ ]" 1
1699 1 7 PHE QE 1 11 ARG HD3 3.650 . 5.500 3.450 3.450 3.450 . 0 0 "[ ]" 1
1700 1 13 PHE HA 1 13 PHE QD 3.650 . 5.500 1.913 1.913 1.913 . 0 0 "[ ]" 1
1701 1 13 PHE QD 1 106 ASP HB2 3.650 . 5.500 4.307 4.307 4.307 . 0 0 "[ ]" 1
1702 1 13 PHE QD 1 106 ASP HB3 3.650 . 5.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
1703 1 13 PHE QE 1 106 ASP HB3 3.650 . 5.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
1704 1 13 PHE QE 1 106 ASP HB2 3.650 . 5.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
1705 1 13 PHE QD 1 14 GLU HG3 3.650 . 5.500 4.018 4.018 4.018 . 0 0 "[ ]" 1
1706 1 13 PHE QD 1 14 GLU HG2 3.650 . 5.500 4.415 4.415 4.415 . 0 0 "[ ]" 1
1707 1 13 PHE QD 1 14 GLU HA 3.650 . 5.500 4.517 4.517 4.517 . 0 0 "[ ]" 1
1708 1 16 ARG HA 1 108 PHE HZ 3.400 . 5.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
1709 1 16 ARG HA 1 108 PHE QE 3.650 . 5.500 3.126 3.126 3.126 . 0 0 "[ ]" 1
1710 1 13 PHE QD 1 17 VAL MG2 3.900 . 6.000 3.282 3.282 3.282 . 0 0 "[ ]" 1
1711 1 13 PHE QE 1 17 VAL MG2 3.900 . 6.000 3.124 3.124 3.124 . 0 0 "[ ]" 1
1712 1 13 PHE HZ 1 17 VAL MG2 3.650 . 5.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
1713 1 19 ASP HB2 1 108 PHE HZ 2.650 . 3.500 3.108 3.108 3.108 . 0 0 "[ ]" 1
1714 1 19 ASP HB2 1 108 PHE QE 3.650 . 5.500 2.825 2.825 2.825 . 0 0 "[ ]" 1
1715 1 19 ASP HB3 1 108 PHE QE 3.650 . 5.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
1716 1 19 ASP HB3 1 108 PHE HZ 2.650 . 3.500 2.451 2.451 2.451 . 0 0 "[ ]" 1
1717 1 20 VAL MG2 1 108 PHE HZ 3.650 . 5.500 2.683 2.683 2.683 . 0 0 "[ ]" 1
1718 1 20 VAL MG2 1 108 PHE QE 3.900 . 6.000 2.472 2.472 2.472 . 0 0 "[ ]" 1
1719 1 23 ILE MG 1 27 HIS HD2 3.650 . 5.500 4.280 4.280 4.280 . 0 0 "[ ]" 1
1720 1 23 ILE MG 1 108 PHE QE 4.400 . 7.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
1721 1 23 ILE MD 1 108 PHE QE 3.900 . 6.000 2.065 2.065 2.065 . 0 0 "[ ]" 1
1722 1 23 ILE MD 1 108 PHE HZ 3.650 . 5.500 2.049 2.049 2.049 . 0 0 "[ ]" 1
1723 1 23 ILE HA 1 27 HIS HD2 2.650 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
1724 1 26 GLN HG2 1 27 HIS HD2 3.400 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
1725 1 26 GLN HG3 1 27 HIS HD2 3.400 . 5.000 4.361 4.361 4.361 . 0 0 "[ ]" 1
1726 1 26 GLN HB2 1 27 HIS HD2 2.650 . 3.500 2.609 2.609 2.609 . 0 0 "[ ]" 1
1727 1 26 GLN HB3 1 27 HIS HD2 2.650 . 3.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
1728 1 27 HIS HA 1 27 HIS HD2 3.400 . 5.000 4.102 4.102 4.102 . 0 0 "[ ]" 1
1729 1 27 HIS HB2 1 27 HIS HD2 3.400 . 5.000 2.874 2.874 2.874 . 0 0 "[ ]" 1
1730 1 27 HIS HB3 1 27 HIS HD2 3.400 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
1731 1 23 ILE HG12 1 27 HIS HD2 3.400 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
1732 1 31 ILE MG 1 99 TYR QD 3.900 . 6.000 2.388 2.388 2.388 . 0 0 "[ ]" 1
1733 1 31 ILE MG 1 99 TYR QE 3.900 . 6.000 3.260 3.260 3.260 . 0 0 "[ ]" 1
1734 1 31 ILE MD 1 99 TYR QD 3.900 . 6.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
1735 1 31 ILE MD 1 99 TYR QE 4.400 . 7.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
1736 1 32 PRO HD3 1 99 TYR QE 3.650 . 5.500 3.752 3.752 3.752 . 0 0 "[ ]" 1
1737 1 32 PRO HD2 1 99 TYR QE 3.650 . 5.500 2.722 2.722 2.722 . 0 0 "[ ]" 1
1738 1 32 PRO HD2 1 99 TYR QD 3.650 . 5.500 3.786 3.786 3.786 . 0 0 "[ ]" 1
1739 1 32 PRO HB3 1 108 PHE QD 3.650 . 5.500 3.660 3.660 3.660 . 0 0 "[ ]" 1
1740 1 32 PRO QG 1 99 TYR QE 4.300 . 6.800 3.282 3.282 3.282 . 0 0 "[ ]" 1
1741 1 32 PRO QG 1 99 TYR QD 4.300 . 6.800 4.747 4.747 4.747 . 0 0 "[ ]" 1
1742 1 33 VAL HB 1 52 PHE QD 3.650 . 5.500 2.008 2.008 2.008 . 0 0 "[ ]" 1
1743 1 7 PHE QD 1 34 ILE MG 3.900 . 6.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
1744 1 34 ILE MG 1 110 TYR QD 3.900 . 6.000 3.599 3.599 3.599 . 0 0 "[ ]" 1
1745 1 7 PHE HZ 1 34 ILE MD 3.650 . 5.500 4.286 4.286 4.286 . 0 0 "[ ]" 1
1746 1 7 PHE QE 1 34 ILE MD 4.400 . 7.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
1747 1 34 ILE MD 1 108 PHE QE 4.400 . 7.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
1748 1 7 PHE QD 1 34 ILE MD 4.400 . 7.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
1749 1 34 ILE HB 1 110 TYR QD 3.650 . 5.500 2.896 2.896 2.896 . 0 0 "[ ]" 1
1750 1 35 ILE MG 1 113 TYR QE 3.900 . 6.000 2.582 2.582 2.582 . 0 0 "[ ]" 1
1751 1 35 ILE MG 1 113 TYR QD 3.900 . 6.000 1.751 1.751 1.751 0.049 1 0 "[ ]" 1
1752 1 35 ILE MG 1 52 PHE QE 4.400 . 7.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
1753 1 35 ILE MD 1 52 PHE QD 4.400 . 7.000 3.143 3.143 3.143 . 0 0 "[ ]" 1
1754 1 35 ILE HB 1 52 PHE QD 3.650 . 5.500 4.359 4.359 4.359 . 0 0 "[ ]" 1
1755 1 35 ILE HG13 1 52 PHE QD 3.650 . 5.500 4.226 4.226 4.226 . 0 0 "[ ]" 1
1756 1 37 ARG HA 1 113 TYR QE 3.650 . 5.500 2.842 2.842 2.842 . 0 0 "[ ]" 1
1757 1 37 ARG HA 1 113 TYR QD 3.650 . 5.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
1758 1 38 TYR HA 1 38 TYR QE 3.650 . 5.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
1759 1 38 TYR HA 1 38 TYR QD 2.900 . 4.000 1.945 1.945 1.945 . 0 0 "[ ]" 1
1760 1 38 TYR QE 1 39 LYS HB2 3.650 . 5.500 3.776 3.776 3.776 . 0 0 "[ ]" 1
1761 1 38 TYR QE 1 41 GLU HB3 3.650 . 5.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
1762 1 38 TYR QE 1 39 LYS QG 4.300 . 6.800 4.826 4.826 4.826 . 0 0 "[ ]" 1
1763 1 38 TYR QE 1 41 GLU HB2 3.650 . 5.500 3.480 3.480 3.480 . 0 0 "[ ]" 1
1764 1 38 TYR QE 1 40 GLY HA3 3.650 . 5.500 2.917 2.917 2.917 . 0 0 "[ ]" 1
1765 1 38 TYR QE 1 40 GLY HA2 3.650 . 5.500 4.508 4.508 4.508 . 0 0 "[ ]" 1
1766 1 38 TYR QD 1 41 GLU HB3 3.650 . 5.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
1767 1 38 TYR QD 1 41 GLU HB2 3.650 . 5.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
1768 1 44 LEU HB2 1 113 TYR QE 3.650 . 5.500 2.732 2.732 2.732 . 0 0 "[ ]" 1
1769 1 47 LEU HB3 1 113 TYR QE 3.650 . 5.500 3.763 3.763 3.763 . 0 0 "[ ]" 1
1770 1 47 LEU HB2 1 113 TYR QE 3.650 . 5.500 2.792 2.792 2.792 . 0 0 "[ ]" 1
1771 1 7 PHE QE 1 50 THR MG 4.400 . 7.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
1772 1 7 PHE QD 1 50 THR MG 3.900 . 6.000 1.867 1.867 1.867 . 0 0 "[ ]" 1
1773 1 50 THR HA 1 52 PHE QD 3.650 . 5.500 4.902 4.902 4.902 . 0 0 "[ ]" 1
1774 1 51 LYS HA 1 52 PHE QD 3.650 . 5.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
1775 1 51 LYS HG3 1 108 PHE QE 3.650 . 5.500 3.257 3.257 3.257 . 0 0 "[ ]" 1
1776 1 51 LYS QD 1 108 PHE QE 3.800 . 5.800 2.431 2.431 2.431 . 0 0 "[ ]" 1
1777 1 51 LYS QD 1 108 PHE HZ 3.550 . 5.300 2.196 2.196 2.196 . 0 0 "[ ]" 1
1778 1 52 PHE HA 1 52 PHE QD 3.650 . 5.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
1779 1 27 HIS HD2 1 53 LEU MD1 3.650 . 5.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
1780 1 27 HIS HD2 1 53 LEU MD2 3.650 . 5.500 4.433 4.433 4.433 . 0 0 "[ ]" 1
1781 1 53 LEU MD2 1 108 PHE QE 4.400 . 7.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
1782 1 57 HIS HB3 1 57 HIS HD2 3.400 . 5.000 2.802 2.802 2.802 . 0 0 "[ ]" 1
1783 1 57 HIS HB2 1 57 HIS HD2 3.400 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
1784 1 57 HIS HA 1 57 HIS HD2 3.400 . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
1785 1 57 HIS HD2 1 58 VAL MG2 3.650 . 5.500 4.381 4.381 4.381 . 0 0 "[ ]" 1
1786 1 57 HIS HD2 1 58 VAL HA 3.400 . 5.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
1787 1 64 ILE MG 1 79 PHE QE 3.900 . 6.000 1.854 1.854 1.854 . 0 0 "[ ]" 1
1788 1 64 ILE MG 1 79 PHE QD 3.900 . 6.000 2.446 2.446 2.446 . 0 0 "[ ]" 1
1789 1 64 ILE MD 1 79 PHE QE 4.400 . 7.000 4.050 4.050 4.050 . 0 0 "[ ]" 1
1790 1 64 ILE MD 1 79 PHE QD 4.400 . 7.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
1791 1 52 PHE QD 1 66 ILE MG 3.900 . 6.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
1792 1 67 ILE MG 1 79 PHE QE 3.900 . 6.000 2.724 2.724 2.724 . 0 0 "[ ]" 1
1793 1 67 ILE MG 1 79 PHE QD 4.400 . 7.000 4.175 4.175 4.175 . 0 0 "[ ]" 1
1794 1 52 PHE QE 1 67 ILE MD 4.400 . 7.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
1795 1 71 LEU MD2 1 113 TYR QE 4.400 . 7.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
1796 1 71 LEU MD1 1 113 TYR QE 4.400 . 7.000 4.508 4.508 4.508 . 0 0 "[ ]" 1
1797 1 71 LEU MD1 1 79 PHE QD 3.900 . 6.000 3.735 3.735 3.735 . 0 0 "[ ]" 1
1798 1 71 LEU MD1 1 79 PHE QE 3.900 . 6.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
1799 1 71 LEU HG 1 79 PHE QE 3.650 . 5.500 4.486 4.486 4.486 . 0 0 "[ ]" 1
1800 1 73 LEU MD1 1 79 PHE QD 3.900 . 6.000 1.930 1.930 1.930 . 0 0 "[ ]" 1
1801 1 78 ALA MB 1 80 PHE QE 3.900 . 6.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
1802 1 78 ALA MB 1 80 PHE QD 3.900 . 6.000 3.139 3.139 3.139 . 0 0 "[ ]" 1
1803 1 79 PHE HA 1 79 PHE QD 3.650 . 5.500 2.860 2.860 2.860 . 0 0 "[ ]" 1
1804 1 79 PHE HB3 1 79 PHE QD 2.900 . 4.000 2.392 2.392 2.392 . 0 0 "[ ]" 1
1805 1 80 PHE HB3 1 80 PHE QD 2.900 . 4.000 2.466 2.466 2.466 . 0 0 "[ ]" 1
1806 1 80 PHE HA 1 80 PHE QD 2.900 . 4.000 2.770 2.770 2.770 . 0 0 "[ ]" 1
1807 1 84 ASN HB2 1 86 HIS HD2 3.400 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
1808 1 84 ASN HB3 1 86 HIS HD2 3.400 . 5.000 4.164 4.164 4.164 . 0 0 "[ ]" 1
1809 1 86 HIS HB3 1 86 HIS HD2 3.400 . 5.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
1810 1 86 HIS HB2 1 86 HIS HD2 3.400 . 5.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
1811 1 86 HIS HA 1 86 HIS HD2 3.400 . 5.000 4.270 4.270 4.270 . 0 0 "[ ]" 1
1812 1 99 TYR HA 1 99 TYR QE 3.650 . 5.500 4.282 4.282 4.282 . 0 0 "[ ]" 1
1813 1 99 TYR HA 1 99 TYR QD 2.900 . 4.000 1.942 1.942 1.942 . 0 0 "[ ]" 1
1814 1 99 TYR QE 1 103 LYS HE3 3.650 . 5.500 4.238 4.238 4.238 . 0 0 "[ ]" 1
1815 1 99 TYR QE 1 103 LYS HD3 3.650 . 5.500 3.544 3.544 3.544 . 0 0 "[ ]" 1
1816 1 99 TYR QE 1 103 LYS HD2 3.650 . 5.500 4.728 4.728 4.728 . 0 0 "[ ]" 1
1817 1 99 TYR QD 1 103 LYS HD2 3.650 . 5.500 5.277 5.277 5.277 . 0 0 "[ ]" 1
1818 1 99 TYR QD 1 103 LYS HD3 3.650 . 5.500 4.553 4.553 4.553 . 0 0 "[ ]" 1
1819 1 99 TYR QE 1 103 LYS HA 3.650 . 5.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
1820 1 99 TYR QD 1 103 LYS HA 3.650 . 5.500 3.173 3.173 3.173 . 0 0 "[ ]" 1
1821 1 104 ASP HA 1 110 TYR QD 3.650 . 5.500 4.733 4.733 4.733 . 0 0 "[ ]" 1
1822 1 104 ASP HB2 1 110 TYR QD 3.650 . 5.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
1823 1 104 ASP HB3 1 110 TYR QD 3.650 . 5.500 3.102 3.102 3.102 . 0 0 "[ ]" 1
1824 1 13 PHE HZ 1 105 GLU QG 3.550 . 5.300 2.352 2.352 2.352 . 0 0 "[ ]" 1
1825 1 13 PHE QE 1 105 GLU QG 3.800 . 5.800 3.281 3.281 3.281 . 0 0 "[ ]" 1
1826 1 13 PHE QD 1 105 GLU QG 3.800 . 5.800 4.792 4.792 4.792 . 0 0 "[ ]" 1
1827 1 13 PHE HZ 1 105 GLU QB 3.550 . 5.300 2.489 2.489 2.489 . 0 0 "[ ]" 1
1828 1 13 PHE QD 1 105 GLU QB 4.300 . 6.800 3.536 3.536 3.536 . 0 0 "[ ]" 1
1829 1 13 PHE QE 1 105 GLU QB 3.800 . 5.800 1.789 1.789 1.789 0.011 1 0 "[ ]" 1
1830 1 13 PHE HZ 1 105 GLU HA 3.400 . 5.000 3.412 3.412 3.412 . 0 0 "[ ]" 1
1831 1 13 PHE QE 1 105 GLU HA 3.650 . 5.500 3.960 3.960 3.960 . 0 0 "[ ]" 1
1832 1 13 PHE QD 1 105 GLU HA 4.150 . 6.500 6.067 6.067 6.067 . 0 0 "[ ]" 1
1833 1 13 PHE QE 1 106 ASP HA 3.650 . 5.500 2.848 2.848 2.848 . 0 0 "[ ]" 1
1834 1 13 PHE HZ 1 106 ASP HA 3.400 . 5.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
1835 1 13 PHE QD 1 106 ASP HA 3.650 . 5.500 4.437 4.437 4.437 . 0 0 "[ ]" 1
1836 1 108 PHE HB2 1 110 TYR QD 3.650 . 5.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
1837 1 108 PHE HB3 1 110 TYR QD 3.650 . 5.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
1838 1 108 PHE HA 1 108 PHE QD 3.650 . 5.500 2.041 2.041 2.041 . 0 0 "[ ]" 1
1839 1 99 TYR QE 1 108 PHE HA 3.650 . 5.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
1840 1 34 ILE MD 1 108 PHE QD 4.400 . 7.000 3.147 3.147 3.147 . 0 0 "[ ]" 1
1841 1 20 VAL MG2 1 108 PHE QD 4.400 . 7.000 3.076 3.076 3.076 . 0 0 "[ ]" 1
1842 1 32 PRO HB2 1 108 PHE QE 3.650 . 5.500 1.881 1.881 1.881 . 0 0 "[ ]" 1
1843 1 34 ILE MD 1 108 PHE HZ 4.150 . 6.500 3.612 3.612 3.612 . 0 0 "[ ]" 1
1844 1 99 TYR QD 1 109 LEU HA 3.650 . 5.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
1845 1 99 TYR QE 1 109 LEU HB2 3.650 . 5.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
1846 1 99 TYR QE 1 109 LEU HB3 3.650 . 5.500 4.114 4.114 4.114 . 0 0 "[ ]" 1
1847 1 99 TYR QD 1 109 LEU HB3 3.650 . 5.500 3.863 3.863 3.863 . 0 0 "[ ]" 1
1848 1 99 TYR QD 1 109 LEU HB2 3.650 . 5.500 2.158 2.158 2.158 . 0 0 "[ ]" 1
1849 1 110 TYR HA 1 110 TYR QD 3.650 . 5.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
1850 1 38 TYR QD 1 112 VAL MG2 3.900 . 6.000 2.265 2.265 2.265 . 0 0 "[ ]" 1
1851 1 38 TYR QD 1 112 VAL HB 3.650 . 5.500 3.158 3.158 3.158 . 0 0 "[ ]" 1
1852 1 113 TYR HA 1 113 TYR QD 3.650 . 5.500 3.715 3.715 3.715 . 0 0 "[ ]" 1
1853 1 37 ARG HB2 1 113 TYR QE 3.650 . 5.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
1854 1 113 TYR QD 1 114 ALA HA 3.650 . 5.500 3.041 3.041 3.041 . 0 0 "[ ]" 1
1855 1 38 TYR QE 1 114 ALA MB 4.400 . 7.000 4.401 4.401 4.401 . 0 0 "[ ]" 1
1856 1 38 TYR QD 1 114 ALA MB 3.900 . 6.000 2.618 2.618 2.618 . 0 0 "[ ]" 1
1857 1 80 PHE QD 1 114 ALA MB 3.900 . 6.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
1858 1 80 PHE QD 1 117 GLU QB 4.300 . 6.800 3.074 3.074 3.074 . 0 0 "[ ]" 1
1859 1 80 PHE QD 1 117 GLU HA 3.650 . 5.500 4.396 4.396 4.396 . 0 0 "[ ]" 1
1860 1 118 THR HA 1 119 PHE QD 3.650 . 5.500 3.624 3.624 3.624 . 0 0 "[ ]" 1
1861 1 119 PHE HA 1 119 PHE QD 2.900 . 4.000 2.714 2.714 2.714 . 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 52
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 0.195
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0278
_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 31 ILE 0.000 0.000 . 0 "[ ]"
1 32 PRO 0.027 0.027 1 0 "[ ]"
1 33 VAL 0.000 0.000 . 0 "[ ]"
1 34 ILE 0.000 0.000 . 0 "[ ]"
1 35 ILE 0.000 0.000 . 0 "[ ]"
1 36 GLU 0.000 0.000 . 0 "[ ]"
1 38 TYR 0.022 0.022 1 0 "[ ]"
1 50 THR 0.000 0.000 . 0 "[ ]"
1 52 PHE 0.000 0.000 . 0 "[ ]"
1 54 VAL 0.000 0.000 . 0 "[ ]"
1 55 PRO 0.012 0.012 1 0 "[ ]"
1 58 VAL 0.012 0.012 1 0 "[ ]"
1 59 ASN 0.028 0.028 1 0 "[ ]"
1 60 MET 0.000 0.000 . 0 "[ ]"
1 61 SER 0.000 0.000 . 0 "[ ]"
1 62 GLU 0.000 0.000 . 0 "[ ]"
1 63 LEU 0.028 0.028 1 0 "[ ]"
1 64 ILE 0.020 0.020 1 0 "[ ]"
1 65 LYS 0.000 0.000 . 0 "[ ]"
1 66 ILE 0.000 0.000 . 0 "[ ]"
1 67 ILE 0.000 0.000 . 0 "[ ]"
1 68 ARG 0.020 0.020 1 0 "[ ]"
1 80 PHE 0.007 0.007 1 0 "[ ]"
1 82 LEU 0.000 0.000 . 0 "[ ]"
1 94 PRO 0.000 0.000 . 0 "[ ]"
1 95 ILE 0.000 0.000 . 0 "[ ]"
1 98 VAL 0.000 0.000 . 0 "[ ]"
1 99 TYR 0.079 0.079 1 0 "[ ]"
1 102 GLU 0.000 0.000 . 0 "[ ]"
1 103 LYS 0.079 0.079 1 0 "[ ]"
1 104 ASP 0.000 0.000 . 0 "[ ]"
1 107 GLY 0.000 0.000 . 0 "[ ]"
1 109 LEU 0.027 0.027 1 0 "[ ]"
1 111 MET 0.000 0.000 . 0 "[ ]"
1 112 VAL 0.000 0.000 . 0 "[ ]"
1 113 TYR 0.022 0.022 1 0 "[ ]"
1 114 ALA 0.007 0.007 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 59 ASN O 1 63 LEU N 2.800 2.300 3.300 3.281 3.281 3.281 . 0 0 "[ ]" 2
2 1 59 ASN O 1 63 LEU H 1.800 . 2.300 2.328 2.328 2.328 0.028 1 0 "[ ]" 2
3 1 60 MET O 1 64 ILE N 2.800 2.300 3.300 2.859 2.859 2.859 . 0 0 "[ ]" 2
4 1 60 MET O 1 64 ILE H 1.800 . 2.300 1.905 1.905 1.905 . 0 0 "[ ]" 2
5 1 61 SER O 1 65 LYS N 2.800 2.300 3.300 2.809 2.809 2.809 . 0 0 "[ ]" 2
6 1 61 SER O 1 65 LYS H 1.800 . 2.300 1.882 1.882 1.882 . 0 0 "[ ]" 2
7 1 62 GLU O 1 66 ILE N 2.800 2.300 3.300 2.960 2.960 2.960 . 0 0 "[ ]" 2
8 1 62 GLU O 1 66 ILE H 1.800 . 2.300 2.080 2.080 2.080 . 0 0 "[ ]" 2
9 1 63 LEU O 1 67 ILE N 2.800 2.300 3.300 3.145 3.145 3.145 . 0 0 "[ ]" 2
10 1 63 LEU O 1 67 ILE H 1.800 . 2.300 2.223 2.223 2.223 . 0 0 "[ ]" 2
11 1 64 ILE O 1 68 ARG N 2.800 2.300 3.300 3.125 3.125 3.125 . 0 0 "[ ]" 2
12 1 64 ILE O 1 68 ARG H 1.800 . 2.300 2.320 2.320 2.320 0.020 1 0 "[ ]" 2
13 1 94 PRO O 1 98 VAL N 2.800 2.300 3.300 2.969 2.969 2.969 . 0 0 "[ ]" 2
14 1 94 PRO O 1 98 VAL H 1.800 . 2.300 2.003 2.003 2.003 . 0 0 "[ ]" 2
15 1 95 ILE O 1 99 TYR N 2.800 2.300 3.300 2.868 2.868 2.868 . 0 0 "[ ]" 2
16 1 95 ILE O 1 99 TYR H 1.800 . 2.300 1.924 1.924 1.924 . 0 0 "[ ]" 2
17 1 98 VAL O 1 102 GLU N 2.800 2.300 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 2
18 1 98 VAL O 1 102 GLU H 1.800 . 2.300 2.092 2.092 2.092 . 0 0 "[ ]" 2
19 1 99 TYR O 1 103 LYS N 2.800 2.300 3.300 2.662 2.662 2.662 . 0 0 "[ ]" 2
20 1 99 TYR O 1 103 LYS H 1.800 . 2.300 2.379 2.379 2.379 0.079 1 0 "[ ]" 2
21 1 31 ILE N 1 54 VAL O 2.800 2.300 3.300 2.570 2.570 2.570 . 0 0 "[ ]" 2
22 1 31 ILE H 1 54 VAL O 1.800 . 2.300 1.597 1.597 1.597 . 0 0 "[ ]" 2
23 1 31 ILE O 1 54 VAL N 2.800 2.300 3.300 2.721 2.721 2.721 . 0 0 "[ ]" 2
24 1 31 ILE O 1 54 VAL H 1.800 . 2.300 1.997 1.997 1.997 . 0 0 "[ ]" 2
25 1 33 VAL N 1 52 PHE O 2.800 2.300 3.300 2.860 2.860 2.860 . 0 0 "[ ]" 2
26 1 33 VAL H 1 52 PHE O 1.800 . 2.300 2.171 2.171 2.171 . 0 0 "[ ]" 2
27 1 35 ILE N 1 50 THR O 2.800 2.300 3.300 2.921 2.921 2.921 . 0 0 "[ ]" 2
28 1 35 ILE H 1 50 THR O 1.800 . 2.300 2.183 2.183 2.183 . 0 0 "[ ]" 2
29 1 32 PRO O 1 109 LEU N 2.800 2.300 3.300 3.232 3.232 3.232 . 0 0 "[ ]" 2
30 1 32 PRO O 1 109 LEU H 1.800 . 2.300 2.327 2.327 2.327 0.027 1 0 "[ ]" 2
31 1 34 ILE N 1 109 LEU O 2.800 2.300 3.300 2.976 2.976 2.976 . 0 0 "[ ]" 2
32 1 34 ILE H 1 109 LEU O 1.800 . 2.300 2.013 2.013 2.013 . 0 0 "[ ]" 2
33 1 34 ILE O 1 111 MET N 2.800 2.300 3.300 3.032 3.032 3.032 . 0 0 "[ ]" 2
34 1 34 ILE O 1 111 MET H 1.800 . 2.300 2.108 2.108 2.108 . 0 0 "[ ]" 2
35 1 36 GLU N 1 111 MET O 2.800 2.300 3.300 2.979 2.979 2.979 . 0 0 "[ ]" 2
36 1 36 GLU H 1 111 MET O 1.800 . 2.300 2.066 2.066 2.066 . 0 0 "[ ]" 2
37 1 36 GLU O 1 113 TYR N 2.800 2.300 3.300 3.078 3.078 3.078 . 0 0 "[ ]" 2
38 1 36 GLU O 1 113 TYR H 1.800 . 2.300 2.200 2.200 2.200 . 0 0 "[ ]" 2
39 1 38 TYR N 1 113 TYR O 2.800 2.300 3.300 3.169 3.169 3.169 . 0 0 "[ ]" 2
40 1 38 TYR H 1 113 TYR O 1.800 . 2.300 2.322 2.322 2.322 0.022 1 0 "[ ]" 2
41 1 82 LEU O 1 112 VAL N 2.800 2.300 3.300 2.977 2.977 2.977 . 0 0 "[ ]" 2
42 1 82 LEU O 1 112 VAL H 1.800 . 2.300 2.038 2.038 2.038 . 0 0 "[ ]" 2
43 1 82 LEU N 1 112 VAL O 2.800 2.300 3.300 2.970 2.970 2.970 . 0 0 "[ ]" 2
44 1 82 LEU H 1 112 VAL O 1.800 . 2.300 2.014 2.014 2.014 . 0 0 "[ ]" 2
45 1 80 PHE O 1 114 ALA N 2.800 2.300 3.300 2.693 2.693 2.693 . 0 0 "[ ]" 2
46 1 80 PHE O 1 114 ALA H 1.800 . 2.300 1.936 1.936 1.936 . 0 0 "[ ]" 2
47 1 80 PHE N 1 114 ALA O 2.800 2.300 3.300 3.092 3.092 3.092 . 0 0 "[ ]" 2
48 1 80 PHE H 1 114 ALA O 1.800 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 2
49 1 55 PRO O 1 58 VAL N 2.800 2.300 3.300 3.178 3.178 3.178 . 0 0 "[ ]" 2
50 1 55 PRO O 1 58 VAL H 1.800 . 2.300 2.312 2.312 2.312 0.012 1 0 "[ ]" 2
51 1 104 ASP O 1 107 GLY N 2.800 2.300 3.300 2.917 2.917 2.917 . 0 0 "[ ]" 2
52 1 104 ASP O 1 107 GLY H 1.800 . 2.300 2.012 2.012 2.012 . 0 0 "[ ]" 2
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