NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
380916 |
1ipg   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ipg
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 1073
_Distance_constraint_stats_list.Viol_count 81
_Distance_constraint_stats_list.Viol_total 4.108
_Distance_constraint_stats_list.Viol_max 0.341
_Distance_constraint_stats_list.Viol_rms 0.0218
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0507
_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 3 MET 0.000 0.000 . 0 "[ ]"
1 7 THR 0.000 0.000 . 0 "[ ]"
1 8 SER 0.000 0.000 . 0 "[ ]"
1 9 GLY 0.000 0.000 . 0 "[ ]"
1 10 LEU 0.037 0.037 1 0 "[ ]"
1 11 LYS 0.040 0.037 1 0 "[ ]"
1 12 THR 0.141 0.044 1 0 "[ ]"
1 13 THR 0.000 0.000 . 0 "[ ]"
1 14 LYS 0.000 0.000 . 0 "[ ]"
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 LYS 0.004 0.004 1 0 "[ ]"
1 17 PHE 0.000 0.000 . 0 "[ ]"
1 18 TYR 0.117 0.073 1 0 "[ ]"
1 19 TYR 0.009 0.005 1 0 "[ ]"
1 20 LYS 0.004 0.002 1 0 "[ ]"
1 21 ASP 0.000 0.000 . 0 "[ ]"
1 22 ASP 0.004 0.002 1 0 "[ ]"
1 23 ILE 0.176 0.103 1 0 "[ ]"
1 24 PHE 0.108 0.103 1 0 "[ ]"
1 25 ALA 0.000 0.000 . 0 "[ ]"
1 26 LEU 0.086 0.043 1 0 "[ ]"
1 27 MET 0.083 0.044 1 0 "[ ]"
1 28 LEU 0.207 0.055 1 0 "[ ]"
1 29 LYS 0.004 0.004 1 0 "[ ]"
1 30 GLY 0.004 0.004 1 0 "[ ]"
1 31 ASP 0.025 0.025 1 0 "[ ]"
1 32 THR 0.012 0.012 1 0 "[ ]"
1 33 THR 0.260 0.158 1 0 "[ ]"
1 34 TYR 0.078 0.054 1 0 "[ ]"
1 35 LYS 0.170 0.092 1 0 "[ ]"
1 36 GLU 0.172 0.158 1 0 "[ ]"
1 37 LEU 0.388 0.270 1 0 "[ ]"
1 38 ARG 0.058 0.044 1 0 "[ ]"
1 39 SER 0.000 0.000 . 0 "[ ]"
1 40 LYS 0.027 0.027 1 0 "[ ]"
1 41 ILE 0.923 0.341 1 0 "[ ]"
1 42 ALA 0.054 0.054 1 0 "[ ]"
1 43 PRO 0.000 0.000 . 0 "[ ]"
1 44 ARG 0.000 0.000 . 0 "[ ]"
1 45 ILE 0.757 0.234 1 0 "[ ]"
1 46 ASP 0.015 0.014 1 0 "[ ]"
1 47 THR 0.292 0.210 1 0 "[ ]"
1 48 ASP 0.009 0.009 1 0 "[ ]"
1 49 ASN 0.097 0.056 1 0 "[ ]"
1 50 PHE 0.015 0.015 1 0 "[ ]"
1 51 LYS 0.067 0.067 1 0 "[ ]"
1 52 LEU 0.790 0.341 1 0 "[ ]"
1 53 GLN 0.000 0.000 1 0 "[ ]"
1 54 THR 0.081 0.052 1 0 "[ ]"
1 55 LYS 0.058 0.058 1 0 "[ ]"
1 56 LEU 0.040 0.037 1 0 "[ ]"
1 57 PHE 0.000 0.000 . 0 "[ ]"
1 58 ASP 0.000 0.000 . 0 "[ ]"
1 59 GLY 0.000 0.000 . 0 "[ ]"
1 60 SER 0.023 0.020 1 0 "[ ]"
1 61 GLY 0.040 0.037 1 0 "[ ]"
1 62 GLU 0.000 0.000 . 0 "[ ]"
1 63 GLU 0.000 0.000 . 0 "[ ]"
1 64 ILE 0.206 0.080 1 0 "[ ]"
1 65 LYS 0.000 0.000 . 0 "[ ]"
1 66 THR 0.015 0.015 1 0 "[ ]"
1 67 ASP 0.007 0.007 1 0 "[ ]"
1 68 SER 0.000 0.000 . 0 "[ ]"
1 69 GLN 0.103 0.044 1 0 "[ ]"
1 70 VAL 0.250 0.080 1 0 "[ ]"
1 71 SER 0.000 0.000 . 0 "[ ]"
1 72 ASN 0.153 0.076 1 0 "[ ]"
1 73 ILE 0.047 0.032 1 0 "[ ]"
1 74 ILE 0.055 0.055 1 0 "[ ]"
1 75 GLN 0.000 0.000 . 0 "[ ]"
1 76 ALA 0.125 0.076 1 0 "[ ]"
1 77 LYS 0.000 0.000 . 0 "[ ]"
1 78 LEU 0.161 0.049 1 0 "[ ]"
1 79 LYS 0.062 0.058 1 0 "[ ]"
1 80 ILE 0.014 0.009 1 0 "[ ]"
1 81 SER 0.057 0.052 1 0 "[ ]"
1 82 VAL 0.406 0.234 1 0 "[ ]"
1 83 HIS 0.230 0.102 1 0 "[ ]"
1 84 ASP 0.170 0.088 1 0 "[ ]"
1 85 ILE 0.042 0.023 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 MET QB 1 3 MET QG 1.800 . 3.310 2.108 2.108 2.108 . 0 0 "[ ]" 1
2 1 3 MET ME 1 3 MET QG 1.800 . 3.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
3 1 7 THR HA 1 8 SER H 1.800 . 4.620 2.471 2.471 2.471 . 0 0 "[ ]" 1
4 1 9 GLY QA 1 10 LEU H 1.800 . 3.560 2.376 2.376 2.376 . 0 0 "[ ]" 1
5 1 10 LEU H 1 10 LEU QB 1.800 . 3.330 3.144 3.144 3.144 . 0 0 "[ ]" 1
6 1 10 LEU H 1 10 LEU QD 1.800 . 5.670 1.801 1.801 1.801 . 0 0 "[ ]" 1
7 1 10 LEU HA 1 10 LEU QD 1.800 . 3.670 1.827 1.827 1.827 . 0 0 "[ ]" 1
8 1 10 LEU HA 1 11 LYS H 1.800 . 3.050 3.039 3.039 3.039 . 0 0 "[ ]" 1
9 1 10 LEU QB 1 11 LYS H 1.800 . 4.400 1.763 1.763 1.763 0.037 1 0 "[ ]" 1
10 1 10 LEU QD 1 11 LYS H 1.800 . 5.680 3.453 3.453 3.453 . 0 0 "[ ]" 1
11 1 11 LYS H 1 11 LYS QB 1.800 . 3.620 2.711 2.711 2.711 . 0 0 "[ ]" 1
12 1 11 LYS HA 1 11 LYS QG 1.800 . 3.470 3.052 3.052 3.052 . 0 0 "[ ]" 1
13 1 11 LYS QB 1 11 LYS QG 1.800 . 3.510 2.040 2.040 2.040 . 0 0 "[ ]" 1
14 1 11 LYS QD 1 11 LYS QG 1.800 . 2.630 2.094 2.094 2.094 . 0 0 "[ ]" 1
15 1 11 LYS HA 1 11 LYS QD 1.800 . 3.870 2.441 2.441 2.441 . 0 0 "[ ]" 1
16 1 11 LYS QE 1 11 LYS QG 1.800 . 3.740 2.028 2.028 2.028 . 0 0 "[ ]" 1
17 1 11 LYS QD 1 11 LYS QE 1.800 . 3.030 2.090 2.090 2.090 . 0 0 "[ ]" 1
18 1 11 LYS H 1 12 THR H 1.800 . 4.470 4.401 4.401 4.401 . 0 0 "[ ]" 1
19 1 11 LYS HA 1 12 THR H 1.800 . 2.790 2.793 2.793 2.793 0.003 1 0 "[ ]" 1
20 1 11 LYS QB 1 12 THR H 1.800 . 4.040 2.069 2.069 2.069 . 0 0 "[ ]" 1
21 1 11 LYS QG 1 12 THR H 1.800 . 4.540 4.059 4.059 4.059 . 0 0 "[ ]" 1
22 1 11 LYS QD 1 12 THR H 1.800 . 5.010 3.976 3.976 3.976 . 0 0 "[ ]" 1
23 1 12 THR H 1 12 THR HB 1.800 . 3.630 3.390 3.390 3.390 . 0 0 "[ ]" 1
24 1 12 THR H 1 12 THR MG 1.800 . 4.120 3.207 3.207 3.207 . 0 0 "[ ]" 1
25 1 12 THR HA 1 12 THR HB 1.800 . 2.920 2.831 2.831 2.831 . 0 0 "[ ]" 1
26 1 12 THR HA 1 12 THR MG 1.800 . 3.260 1.976 1.976 1.976 . 0 0 "[ ]" 1
27 1 12 THR H 1 13 THR H 1.800 . 5.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
28 1 12 THR HA 1 13 THR H 1.800 . 2.860 2.211 2.211 2.211 . 0 0 "[ ]" 1
29 1 12 THR HB 1 27 MET HA 1.800 . 3.810 3.224 3.224 3.224 . 0 0 "[ ]" 1
30 1 12 THR HB 1 27 MET HB2 1.800 . 3.530 3.574 3.574 3.574 0.044 1 0 "[ ]" 1
31 1 12 THR HB 1 27 MET HB3 1.800 . 3.100 1.834 1.834 1.834 . 0 0 "[ ]" 1
32 1 12 THR HB 1 27 MET ME 1.800 . 3.800 1.761 1.761 1.761 0.039 1 0 "[ ]" 1
33 1 12 THR MG 1 27 MET HB2 1.800 . 4.450 2.539 2.539 2.539 . 0 0 "[ ]" 1
34 1 12 THR MG 1 27 MET HB3 1.800 . 3.500 1.825 1.825 1.825 . 0 0 "[ ]" 1
35 1 12 THR MG 1 27 MET HA 1.800 . 4.230 3.115 3.115 3.115 . 0 0 "[ ]" 1
36 1 12 THR MG 1 27 MET ME 1.800 . 4.100 2.863 2.863 2.863 . 0 0 "[ ]" 1
37 1 12 THR HA 1 28 LEU H 1.800 . 4.050 4.079 4.079 4.079 0.029 1 0 "[ ]" 1
38 1 12 THR HB 1 28 LEU H 1.800 . 4.040 4.066 4.066 4.066 0.026 1 0 "[ ]" 1
39 1 12 THR MG 1 29 LYS H 1.800 . 4.660 3.202 3.202 3.202 . 0 0 "[ ]" 1
40 1 12 THR MG 1 29 LYS QG 1.800 . 4.430 2.641 2.641 2.641 . 0 0 "[ ]" 1
41 1 13 THR H 1 13 THR HB 1.800 . 3.080 2.387 2.387 2.387 . 0 0 "[ ]" 1
42 1 13 THR H 1 13 THR MG 1.800 . 4.620 3.751 3.751 3.751 . 0 0 "[ ]" 1
43 1 13 THR HA 1 13 THR MG 1.800 . 3.260 2.383 2.383 2.383 . 0 0 "[ ]" 1
44 1 13 THR HA 1 14 LYS H 1.800 . 2.840 2.189 2.189 2.189 . 0 0 "[ ]" 1
45 1 13 THR HB 1 14 LYS H 1.800 . 4.340 4.293 4.293 4.293 . 0 0 "[ ]" 1
46 1 13 THR MG 1 14 LYS H 1.800 . 3.870 2.452 2.452 2.452 . 0 0 "[ ]" 1
47 1 13 THR HB 1 15 ILE QG 1.800 . 3.950 3.327 3.327 3.327 . 0 0 "[ ]" 1
48 1 13 THR MG 1 15 ILE MD 1.800 . 3.530 1.958 1.958 1.958 . 0 0 "[ ]" 1
49 1 13 THR HA 1 27 MET ME 1.800 . 4.120 3.446 3.446 3.446 . 0 0 "[ ]" 1
50 1 13 THR H 1 28 LEU H 1.800 . 3.830 2.684 2.684 2.684 . 0 0 "[ ]" 1
51 1 13 THR H 1 28 LEU HB2 1.800 . 3.950 3.086 3.086 3.086 . 0 0 "[ ]" 1
52 1 13 THR H 1 28 LEU QD 1.800 . 4.690 3.355 3.355 3.355 . 0 0 "[ ]" 1
53 1 13 THR H 1 74 ILE MG 1.800 . 4.750 3.804 3.804 3.804 . 0 0 "[ ]" 1
54 1 13 THR HB 1 74 ILE MG 1.800 . 3.310 2.760 2.760 2.760 . 0 0 "[ ]" 1
55 1 13 THR MG 1 76 ALA H 1.800 . 4.980 4.159 4.159 4.159 . 0 0 "[ ]" 1
56 1 13 THR MG 1 77 LYS QB 1.800 . 4.400 2.519 2.519 2.519 . 0 0 "[ ]" 1
57 1 13 THR MG 1 77 LYS QE 1.800 . 4.560 3.335 3.335 3.335 . 0 0 "[ ]" 1
58 1 14 LYS H 1 14 LYS HB2 1.800 . 3.230 2.410 2.410 2.410 . 0 0 "[ ]" 1
59 1 14 LYS H 1 14 LYS HB3 1.800 . 3.210 2.872 2.872 2.872 . 0 0 "[ ]" 1
60 1 14 LYS H 1 14 LYS QG 1.800 . 4.640 3.965 3.965 3.965 . 0 0 "[ ]" 1
61 1 14 LYS HA 1 14 LYS HB2 1.800 . 2.980 2.673 2.673 2.673 . 0 0 "[ ]" 1
62 1 14 LYS HA 1 14 LYS QG 1.800 . 3.390 2.160 2.160 2.160 . 0 0 "[ ]" 1
63 1 14 LYS QD 1 14 LYS QG 1.800 . 3.210 2.043 2.043 2.043 . 0 0 "[ ]" 1
64 1 14 LYS QE 1 14 LYS QG 1.800 . 3.310 2.139 2.139 2.139 . 0 0 "[ ]" 1
65 1 14 LYS HB3 1 14 LYS QE 1.800 . 4.150 2.295 2.295 2.295 . 0 0 "[ ]" 1
66 1 14 LYS HA 1 15 ILE H 1.800 . 2.940 2.203 2.203 2.203 . 0 0 "[ ]" 1
67 1 14 LYS QG 1 15 ILE H 1.800 . 4.100 3.302 3.302 3.302 . 0 0 "[ ]" 1
68 1 14 LYS HB2 1 27 MET ME 1.800 . 3.560 2.429 2.429 2.429 . 0 0 "[ ]" 1
69 1 14 LYS QG 1 27 MET ME 1.800 . 4.260 2.252 2.252 2.252 . 0 0 "[ ]" 1
70 1 14 LYS H 1 77 LYS QB 1.800 . 4.690 4.189 4.189 4.189 . 0 0 "[ ]" 1
71 1 14 LYS H 1 77 LYS QG 1.800 . 5.080 3.785 3.785 3.785 . 0 0 "[ ]" 1
72 1 15 ILE H 1 15 ILE HB 1.800 . 3.390 2.852 2.852 2.852 . 0 0 "[ ]" 1
73 1 15 ILE H 1 15 ILE MG 1.800 . 4.820 3.882 3.882 3.882 . 0 0 "[ ]" 1
74 1 15 ILE H 1 15 ILE QG 1.800 . 3.980 2.339 2.339 2.339 . 0 0 "[ ]" 1
75 1 15 ILE H 1 15 ILE MD 1.800 . 4.770 3.991 3.991 3.991 . 0 0 "[ ]" 1
76 1 15 ILE HA 1 15 ILE MG 1.800 . 3.430 2.244 2.244 2.244 . 0 0 "[ ]" 1
77 1 15 ILE HB 1 15 ILE MD 1.800 . 3.490 2.683 2.683 2.683 . 0 0 "[ ]" 1
78 1 15 ILE HB 1 16 LYS H 1.800 . 4.330 4.184 4.184 4.184 . 0 0 "[ ]" 1
79 1 15 ILE MG 1 16 LYS H 1.800 . 3.990 3.058 3.058 3.058 . 0 0 "[ ]" 1
80 1 15 ILE HB 1 17 PHE QE 1.800 . 4.030 2.523 2.523 2.523 . 0 0 "[ ]" 1
81 1 15 ILE HB 1 26 LEU H 1.800 . 4.220 3.220 3.220 3.220 . 0 0 "[ ]" 1
82 1 15 ILE MG 1 73 ILE MG 1.800 . 4.270 1.896 1.896 1.896 . 0 0 "[ ]" 1
83 1 15 ILE MD 1 74 ILE HA 1.800 . 3.000 2.160 2.160 2.160 . 0 0 "[ ]" 1
84 1 15 ILE MD 1 77 LYS HA 1.800 . 3.320 2.791 2.791 2.791 . 0 0 "[ ]" 1
85 1 15 ILE MG 1 77 LYS HA 1.800 . 4.430 3.344 3.344 3.344 . 0 0 "[ ]" 1
86 1 15 ILE QG 1 77 LYS HA 1.800 . 3.790 3.253 3.253 3.253 . 0 0 "[ ]" 1
87 1 15 ILE QG 1 77 LYS QG 1.800 . 3.930 3.129 3.129 3.129 . 0 0 "[ ]" 1
88 1 15 ILE MG 1 80 ILE H 1.800 . 4.620 2.609 2.609 2.609 . 0 0 "[ ]" 1
89 1 15 ILE MG 1 80 ILE HB 1.800 . 4.460 3.359 3.359 3.359 . 0 0 "[ ]" 1
90 1 15 ILE MG 1 80 ILE MD 1.800 . 4.470 2.620 2.620 2.620 . 0 0 "[ ]" 1
91 1 16 LYS H 1 16 LYS HB2 1.800 . 3.280 2.232 2.232 2.232 . 0 0 "[ ]" 1
92 1 16 LYS H 1 16 LYS HB3 1.800 . 3.610 3.536 3.536 3.536 . 0 0 "[ ]" 1
93 1 16 LYS H 1 16 LYS QG 1.800 . 4.380 3.021 3.021 3.021 . 0 0 "[ ]" 1
94 1 16 LYS HA 1 16 LYS QG 1.800 . 3.230 2.222 2.222 2.222 . 0 0 "[ ]" 1
95 1 16 LYS QE 1 16 LYS QG 1.800 . 3.470 2.189 2.189 2.189 . 0 0 "[ ]" 1
96 1 16 LYS QD 1 16 LYS QG 1.800 . 3.760 2.107 2.107 2.107 . 0 0 "[ ]" 1
97 1 16 LYS HA 1 16 LYS QD 1.800 . 4.120 2.532 2.532 2.532 . 0 0 "[ ]" 1
98 1 16 LYS HA 1 17 PHE H 1.800 . 2.950 2.189 2.189 2.189 . 0 0 "[ ]" 1
99 1 16 LYS HA 1 17 PHE QD 1.800 . 4.460 3.516 3.516 3.516 . 0 0 "[ ]" 1
100 1 16 LYS HB3 1 18 TYR QD 1.800 . 4.300 3.871 3.871 3.871 . 0 0 "[ ]" 1
101 1 16 LYS HB2 1 18 TYR QE 1.800 . 3.380 2.804 2.804 2.804 . 0 0 "[ ]" 1
102 1 16 LYS HB3 1 18 TYR QE 1.800 . 3.570 2.449 2.449 2.449 . 0 0 "[ ]" 1
103 1 16 LYS HB3 1 23 ILE MG 1.800 . 4.470 2.313 2.313 2.313 . 0 0 "[ ]" 1
104 1 16 LYS HB2 1 23 ILE MG 1.800 . 4.480 3.774 3.774 3.774 . 0 0 "[ ]" 1
105 1 16 LYS QG 1 23 ILE MG 1.800 . 4.770 3.481 3.481 3.481 . 0 0 "[ ]" 1
106 1 16 LYS QD 1 23 ILE MG 1.800 . 4.020 1.828 1.828 1.828 . 0 0 "[ ]" 1
107 1 16 LYS QE 1 23 ILE MG 1.800 . 4.060 3.017 3.017 3.017 . 0 0 "[ ]" 1
108 1 16 LYS HA 1 25 ALA HA 1.800 . 2.940 2.127 2.127 2.127 . 0 0 "[ ]" 1
109 1 16 LYS HA 1 25 ALA MB 1.800 . 3.810 2.899 2.899 2.899 . 0 0 "[ ]" 1
110 1 16 LYS QG 1 25 ALA HA 1.800 . 4.100 3.326 3.326 3.326 . 0 0 "[ ]" 1
111 1 16 LYS QD 1 25 ALA MB 1.800 . 3.930 2.921 2.921 2.921 . 0 0 "[ ]" 1
112 1 16 LYS QE 1 25 ALA MB 1.800 . 3.810 2.070 2.070 2.070 . 0 0 "[ ]" 1
113 1 16 LYS HA 1 26 LEU H 1.800 . 3.990 3.829 3.829 3.829 . 0 0 "[ ]" 1
114 1 16 LYS H 1 79 LYS HA 1.800 . 2.900 2.904 2.904 2.904 0.004 1 0 "[ ]" 1
115 1 16 LYS H 1 80 ILE H 1.800 . 4.820 3.815 3.815 3.815 . 0 0 "[ ]" 1
116 1 17 PHE H 1 17 PHE HB2 1.800 . 3.460 2.313 2.313 2.313 . 0 0 "[ ]" 1
117 1 17 PHE H 1 17 PHE HB3 1.800 . 3.760 3.591 3.591 3.591 . 0 0 "[ ]" 1
118 1 17 PHE H 1 17 PHE QD 1.800 . 4.370 2.175 2.175 2.175 . 0 0 "[ ]" 1
119 1 17 PHE H 1 17 PHE QE 1.800 . 5.230 4.442 4.442 4.442 . 0 0 "[ ]" 1
120 1 17 PHE HA 1 17 PHE QD 1.800 . 4.130 3.033 3.033 3.033 . 0 0 "[ ]" 1
121 1 17 PHE HB2 1 17 PHE QD 1.800 . 3.420 2.504 2.504 2.504 . 0 0 "[ ]" 1
122 1 17 PHE HA 1 18 TYR H 1.800 . 3.000 2.474 2.474 2.474 . 0 0 "[ ]" 1
123 1 17 PHE HB2 1 18 TYR H 1.800 . 3.850 3.832 3.832 3.832 . 0 0 "[ ]" 1
124 1 17 PHE HB3 1 18 TYR H 1.800 . 3.810 2.563 2.563 2.563 . 0 0 "[ ]" 1
125 1 17 PHE QD 1 18 TYR H 1.800 . 5.820 3.652 3.652 3.652 . 0 0 "[ ]" 1
126 1 17 PHE H 1 18 TYR QE 1.800 . 6.060 4.846 4.846 4.846 . 0 0 "[ ]" 1
127 1 17 PHE HA 1 18 TYR QD 1.800 . 3.880 2.750 2.750 2.750 . 0 0 "[ ]" 1
128 1 17 PHE HA 1 18 TYR QE 1.800 . 4.840 4.347 4.347 4.347 . 0 0 "[ ]" 1
129 1 17 PHE H 1 23 ILE MG 1.800 . 4.890 3.128 3.128 3.128 . 0 0 "[ ]" 1
130 1 17 PHE HB2 1 24 PHE H 1.800 . 3.680 2.945 2.945 2.945 . 0 0 "[ ]" 1
131 1 17 PHE HB3 1 24 PHE QE 1.800 . 4.800 2.971 2.971 2.971 . 0 0 "[ ]" 1
132 1 17 PHE H 1 25 ALA HA 1.800 . 3.840 2.822 2.822 2.822 . 0 0 "[ ]" 1
133 1 17 PHE QD 1 25 ALA HA 1.800 . 4.100 2.982 2.982 2.982 . 0 0 "[ ]" 1
134 1 17 PHE QD 1 26 LEU H 1.800 . 4.700 3.264 3.264 3.264 . 0 0 "[ ]" 1
135 1 17 PHE QE 1 26 LEU H 1.800 . 4.580 3.170 3.170 3.170 . 0 0 "[ ]" 1
136 1 17 PHE QE 1 26 LEU HB2 1.800 . 3.970 1.903 1.903 1.903 . 0 0 "[ ]" 1
137 1 17 PHE HZ 1 26 LEU HB2 1.800 . 4.330 3.910 3.910 3.910 . 0 0 "[ ]" 1
138 1 17 PHE HZ 1 37 LEU QD 1.800 . 3.970 1.932 1.932 1.932 . 0 0 "[ ]" 1
139 1 17 PHE QD 1 41 ILE MD 1.800 . 4.600 2.545 2.545 2.545 . 0 0 "[ ]" 1
140 1 17 PHE QE 1 41 ILE MG 1.800 . 5.920 4.412 4.412 4.412 . 0 0 "[ ]" 1
141 1 17 PHE QE 1 41 ILE MD 1.800 . 4.290 2.075 2.075 2.075 . 0 0 "[ ]" 1
142 1 17 PHE HZ 1 41 ILE MD 1.800 . 4.180 2.851 2.851 2.851 . 0 0 "[ ]" 1
143 1 17 PHE QD 1 52 LEU HB3 1.800 . 4.210 3.604 3.604 3.604 . 0 0 "[ ]" 1
144 1 17 PHE QE 1 52 LEU HB3 1.800 . 4.340 2.755 2.755 2.755 . 0 0 "[ ]" 1
145 1 17 PHE QD 1 53 GLN H 1.800 . 5.620 5.003 5.003 5.003 . 0 0 "[ ]" 1
146 1 17 PHE HA 1 80 ILE H 1.800 . 3.700 2.695 2.695 2.695 . 0 0 "[ ]" 1
147 1 17 PHE HA 1 80 ILE HB 1.800 . 3.030 2.114 2.114 2.114 . 0 0 "[ ]" 1
148 1 17 PHE HA 1 80 ILE MG 1.800 . 4.030 3.366 3.366 3.366 . 0 0 "[ ]" 1
149 1 17 PHE QD 1 80 ILE MD 1.800 . 5.560 3.882 3.882 3.882 . 0 0 "[ ]" 1
150 1 17 PHE QE 1 80 ILE HB 1.800 . 4.160 3.279 3.279 3.279 . 0 0 "[ ]" 1
151 1 17 PHE QE 1 80 ILE MG 1.800 . 4.030 1.859 1.859 1.859 . 0 0 "[ ]" 1
152 1 17 PHE QE 1 80 ILE MD 1.800 . 4.820 2.573 2.573 2.573 . 0 0 "[ ]" 1
153 1 17 PHE HZ 1 80 ILE MD 1.800 . 4.580 3.170 3.170 3.170 . 0 0 "[ ]" 1
154 1 17 PHE HA 1 82 VAL QG 1.800 . 5.010 3.299 3.299 3.299 . 0 0 "[ ]" 1
155 1 17 PHE HB2 1 82 VAL QG 1.800 . 4.720 3.064 3.064 3.064 . 0 0 "[ ]" 1
156 1 17 PHE HB3 1 82 VAL QG 1.800 . 4.360 1.817 1.817 1.817 . 0 0 "[ ]" 1
157 1 17 PHE QD 1 82 VAL QG 1.800 . 4.240 2.020 2.020 2.020 . 0 0 "[ ]" 1
158 1 18 TYR H 1 18 TYR HB2 1.800 . 3.490 2.606 2.606 2.606 . 0 0 "[ ]" 1
159 1 18 TYR H 1 18 TYR HB3 1.800 . 3.720 3.758 3.758 3.758 0.038 1 0 "[ ]" 1
160 1 18 TYR H 1 18 TYR QD 1.800 . 4.350 2.761 2.761 2.761 . 0 0 "[ ]" 1
161 1 18 TYR HA 1 18 TYR HB3 1.800 . 3.070 2.580 2.580 2.580 . 0 0 "[ ]" 1
162 1 18 TYR HA 1 18 TYR QD 1.800 . 3.890 3.032 3.032 3.032 . 0 0 "[ ]" 1
163 1 18 TYR HB2 1 18 TYR QD 1.800 . 3.450 2.627 2.627 2.627 . 0 0 "[ ]" 1
164 1 18 TYR HB3 1 18 TYR QD 1.800 . 3.320 2.303 2.303 2.303 . 0 0 "[ ]" 1
165 1 18 TYR HA 1 19 TYR H 1.800 . 2.840 2.459 2.459 2.459 . 0 0 "[ ]" 1
166 1 18 TYR HA 1 23 ILE MG 1.800 . 4.260 3.231 3.231 3.231 . 0 0 "[ ]" 1
167 1 18 TYR HA 1 23 ILE QG 1.800 . 3.930 1.727 1.727 1.727 0.073 1 0 "[ ]" 1
168 1 18 TYR QD 1 23 ILE MG 1.800 . 4.920 3.395 3.395 3.395 . 0 0 "[ ]" 1
169 1 18 TYR QD 1 23 ILE QG 1.800 . 4.290 2.661 2.661 2.661 . 0 0 "[ ]" 1
170 1 18 TYR QD 1 23 ILE MD 1.800 . 4.640 2.144 2.144 2.144 . 0 0 "[ ]" 1
171 1 18 TYR QE 1 23 ILE MG 1.800 . 4.630 3.119 3.119 3.119 . 0 0 "[ ]" 1
172 1 18 TYR QE 1 23 ILE QG 1.800 . 4.540 3.267 3.267 3.267 . 0 0 "[ ]" 1
173 1 18 TYR QE 1 23 ILE MD 1.800 . 4.000 2.415 2.415 2.415 . 0 0 "[ ]" 1
174 1 18 TYR H 1 53 GLN QE 1.800 . 5.710 5.123 5.123 5.123 . 0 0 "[ ]" 1
175 1 18 TYR QD 1 55 LYS QG 1.800 . 4.410 3.040 3.040 3.040 . 0 0 "[ ]" 1
176 1 18 TYR QD 1 55 LYS QE 1.800 . 5.160 3.045 3.045 3.045 . 0 0 "[ ]" 1
177 1 18 TYR QE 1 55 LYS QG 1.800 . 4.570 3.654 3.654 3.654 . 0 0 "[ ]" 1
178 1 18 TYR QE 1 55 LYS QE 1.800 . 5.110 2.837 2.837 2.837 . 0 0 "[ ]" 1
179 1 18 TYR QD 1 79 LYS HB3 1.800 . 3.830 3.431 3.431 3.431 . 0 0 "[ ]" 1
180 1 18 TYR QE 1 79 LYS HA 1.800 . 4.320 3.633 3.633 3.633 . 0 0 "[ ]" 1
181 1 18 TYR QD 1 80 ILE H 1.800 . 5.350 3.503 3.503 3.503 . 0 0 "[ ]" 1
182 1 18 TYR QE 1 80 ILE H 1.800 . 5.840 3.867 3.867 3.867 . 0 0 "[ ]" 1
183 1 18 TYR H 1 81 SER HA 1.800 . 3.700 2.192 2.192 2.192 . 0 0 "[ ]" 1
184 1 18 TYR H 1 81 SER QB 1.800 . 5.350 4.332 4.332 4.332 . 0 0 "[ ]" 1
185 1 18 TYR HB2 1 81 SER HA 1.800 . 3.130 1.809 1.809 1.809 . 0 0 "[ ]" 1
186 1 18 TYR HB3 1 81 SER HA 1.800 . 3.400 3.405 3.405 3.405 0.005 1 0 "[ ]" 1
187 1 18 TYR QB 1 81 SER HA 1.800 . 3.330 1.802 1.802 1.802 . 0 0 "[ ]" 1
188 1 18 TYR H 1 82 VAL H 1.800 . 4.520 2.497 2.497 2.497 . 0 0 "[ ]" 1
189 1 18 TYR HB2 1 82 VAL H 1.800 . 4.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
190 1 18 TYR H 1 82 VAL QG 1.800 . 5.090 2.136 2.136 2.136 . 0 0 "[ ]" 1
191 1 18 TYR HB3 1 82 VAL H 1.800 . 4.500 3.839 3.839 3.839 . 0 0 "[ ]" 1
192 1 18 TYR HA 1 82 VAL QG 1.800 . 4.930 3.704 3.704 3.704 . 0 0 "[ ]" 1
193 1 19 TYR H 1 19 TYR QD 1.800 . 5.100 4.192 4.192 4.192 . 0 0 "[ ]" 1
194 1 19 TYR HA 1 19 TYR QD 1.800 . 3.260 1.965 1.965 1.965 . 0 0 "[ ]" 1
195 1 19 TYR H 1 20 LYS H 1.800 . 5.030 4.430 4.430 4.430 . 0 0 "[ ]" 1
196 1 19 TYR HA 1 20 LYS H 1.800 . 2.980 2.194 2.194 2.194 . 0 0 "[ ]" 1
197 1 19 TYR QB 1 20 LYS H 1.800 . 4.760 3.910 3.910 3.910 . 0 0 "[ ]" 1
198 1 19 TYR QD 1 20 LYS H 1.800 . 4.950 3.097 3.097 3.097 . 0 0 "[ ]" 1
199 1 19 TYR QB 1 20 LYS QG 1.800 . 4.390 3.451 3.451 3.451 . 0 0 "[ ]" 1
200 1 19 TYR QD 1 20 LYS QD 1.800 . 4.950 3.329 3.329 3.329 . 0 0 "[ ]" 1
201 1 19 TYR H 1 23 ILE MG 1.800 . 5.590 4.407 4.407 4.407 . 0 0 "[ ]" 1
202 1 19 TYR H 1 23 ILE QG 1.800 . 5.240 3.279 3.279 3.279 . 0 0 "[ ]" 1
203 1 19 TYR H 1 24 PHE H 1.800 . 3.980 3.985 3.985 3.985 0.005 1 0 "[ ]" 1
204 1 19 TYR H 1 24 PHE QD 1.800 . 5.820 3.528 3.528 3.528 . 0 0 "[ ]" 1
205 1 19 TYR QB 1 24 PHE QE 1.800 . 4.410 1.858 1.858 1.858 . 0 0 "[ ]" 1
206 1 19 TYR QD 1 45 ILE HA 1.800 . 4.650 2.890 2.890 2.890 . 0 0 "[ ]" 1
207 1 19 TYR QD 1 45 ILE MG 1.800 . 4.460 2.869 2.869 2.869 . 0 0 "[ ]" 1
208 1 19 TYR QD 1 45 ILE MD 1.800 . 4.690 2.876 2.876 2.876 . 0 0 "[ ]" 1
209 1 19 TYR QE 1 45 ILE HA 1.800 . 3.790 3.374 3.374 3.374 . 0 0 "[ ]" 1
210 1 19 TYR QE 1 45 ILE MG 1.800 . 4.320 2.333 2.333 2.333 . 0 0 "[ ]" 1
211 1 19 TYR QE 1 45 ILE MD 1.800 . 4.540 3.164 3.164 3.164 . 0 0 "[ ]" 1
212 1 19 TYR QE 1 50 PHE QB 1.800 . 4.070 3.243 3.243 3.243 . 0 0 "[ ]" 1
213 1 19 TYR H 1 82 VAL H 1.800 . 5.290 3.768 3.768 3.768 . 0 0 "[ ]" 1
214 1 19 TYR HA 1 82 VAL H 1.800 . 3.960 2.896 2.896 2.896 . 0 0 "[ ]" 1
215 1 19 TYR H 1 82 VAL HB 1.800 . 4.740 3.532 3.532 3.532 . 0 0 "[ ]" 1
216 1 19 TYR QD 1 82 VAL H 1.800 . 5.500 4.065 4.065 4.065 . 0 0 "[ ]" 1
217 1 19 TYR HA 1 82 VAL HB 1.800 . 2.820 1.836 1.836 1.836 . 0 0 "[ ]" 1
218 1 19 TYR HA 1 82 VAL QG 1.800 . 4.880 2.794 2.794 2.794 . 0 0 "[ ]" 1
219 1 19 TYR QB 1 82 VAL HB 1.800 . 3.920 2.159 2.159 2.159 . 0 0 "[ ]" 1
220 1 19 TYR QB 1 82 VAL QG 1.800 . 5.070 2.425 2.425 2.425 . 0 0 "[ ]" 1
221 1 19 TYR QD 1 82 VAL HB 1.800 . 3.350 1.796 1.796 1.796 0.004 1 0 "[ ]" 1
222 1 19 TYR QD 1 82 VAL QG 1.800 . 4.570 2.402 2.402 2.402 . 0 0 "[ ]" 1
223 1 19 TYR QE 1 82 VAL HB 1.800 . 4.500 4.072 4.072 4.072 . 0 0 "[ ]" 1
224 1 19 TYR QE 1 82 VAL QG 1.800 . 5.010 3.321 3.321 3.321 . 0 0 "[ ]" 1
225 1 19 TYR QE 1 83 HIS H 1.800 . 4.960 4.277 4.277 4.277 . 0 0 "[ ]" 1
226 1 19 TYR QE 1 83 HIS HA 1.800 . 4.040 3.301 3.301 3.301 . 0 0 "[ ]" 1
227 1 19 TYR QE 1 84 ASP H 1.800 . 4.810 3.140 3.140 3.140 . 0 0 "[ ]" 1
228 1 20 LYS H 1 20 LYS HA 1.800 . 2.910 2.353 2.353 2.353 . 0 0 "[ ]" 1
229 1 20 LYS H 1 20 LYS HB2 1.800 . 4.080 3.724 3.724 3.724 . 0 0 "[ ]" 1
230 1 20 LYS H 1 20 LYS HB3 1.800 . 3.980 3.965 3.965 3.965 . 0 0 "[ ]" 1
231 1 20 LYS H 1 20 LYS QG 1.800 . 3.970 2.505 2.505 2.505 . 0 0 "[ ]" 1
232 1 20 LYS HA 1 20 LYS HB2 1.800 . 3.140 3.015 3.015 3.015 . 0 0 "[ ]" 1
233 1 20 LYS HA 1 20 LYS HB3 1.800 . 2.920 2.357 2.357 2.357 . 0 0 "[ ]" 1
234 1 20 LYS HA 1 20 LYS QG 1.800 . 3.310 2.586 2.586 2.586 . 0 0 "[ ]" 1
235 1 20 LYS QD 1 20 LYS QG 1.800 . 3.910 2.041 2.041 2.041 . 0 0 "[ ]" 1
236 1 20 LYS QD 1 20 LYS QE 1.800 . 3.770 2.074 2.074 2.074 . 0 0 "[ ]" 1
237 1 20 LYS QE 1 20 LYS QG 1.800 . 3.780 2.241 2.241 2.241 . 0 0 "[ ]" 1
238 1 20 LYS H 1 21 ASP H 1.800 . 5.120 4.667 4.667 4.667 . 0 0 "[ ]" 1
239 1 20 LYS HA 1 21 ASP H 1.800 . 3.660 3.166 3.166 3.166 . 0 0 "[ ]" 1
240 1 20 LYS HB2 1 21 ASP H 1.800 . 3.070 1.966 1.966 1.966 . 0 0 "[ ]" 1
241 1 20 LYS HB3 1 21 ASP H 1.800 . 3.120 2.191 2.191 2.191 . 0 0 "[ ]" 1
242 1 20 LYS QG 1 21 ASP H 1.800 . 4.520 3.854 3.854 3.854 . 0 0 "[ ]" 1
243 1 20 LYS QD 1 21 ASP H 1.800 . 4.960 3.950 3.950 3.950 . 0 0 "[ ]" 1
244 1 20 LYS HA 1 22 ASP H 1.800 . 4.410 4.411 4.411 4.411 0.001 1 0 "[ ]" 1
245 1 20 LYS HB2 1 22 ASP H 1.800 . 3.800 2.523 2.523 2.523 . 0 0 "[ ]" 1
246 1 20 LYS HB3 1 22 ASP H 1.800 . 3.960 3.962 3.962 3.962 0.002 1 0 "[ ]" 1
247 1 20 LYS H 1 82 VAL HB 1.800 . 4.570 3.864 3.864 3.864 . 0 0 "[ ]" 1
248 1 21 ASP H 1 21 ASP HB2 1.800 . 3.440 2.157 2.157 2.157 . 0 0 "[ ]" 1
249 1 21 ASP H 1 21 ASP HB3 1.800 . 3.580 3.315 3.315 3.315 . 0 0 "[ ]" 1
250 1 21 ASP HA 1 21 ASP HB2 1.800 . 2.960 2.892 2.892 2.892 . 0 0 "[ ]" 1
251 1 21 ASP HA 1 21 ASP HB3 1.800 . 2.870 2.821 2.821 2.821 . 0 0 "[ ]" 1
252 1 21 ASP H 1 22 ASP H 1.800 . 3.520 2.425 2.425 2.425 . 0 0 "[ ]" 1
253 1 21 ASP HA 1 22 ASP H 1.800 . 3.610 3.347 3.347 3.347 . 0 0 "[ ]" 1
254 1 21 ASP HB2 1 22 ASP H 1.800 . 3.890 3.716 3.716 3.716 . 0 0 "[ ]" 1
255 1 22 ASP H 1 22 ASP QB 1.800 . 3.430 2.198 2.198 2.198 . 0 0 "[ ]" 1
256 1 22 ASP HA 1 23 ILE H 1.800 . 2.860 2.330 2.330 2.330 . 0 0 "[ ]" 1
257 1 22 ASP QB 1 23 ILE H 1.800 . 3.870 2.966 2.966 2.966 . 0 0 "[ ]" 1
258 1 23 ILE H 1 23 ILE HB 1.800 . 3.230 2.638 2.638 2.638 . 0 0 "[ ]" 1
259 1 23 ILE H 1 23 ILE MG 1.800 . 4.470 3.765 3.765 3.765 . 0 0 "[ ]" 1
260 1 23 ILE H 1 23 ILE QG 1.800 . 4.160 3.488 3.488 3.488 . 0 0 "[ ]" 1
261 1 23 ILE H 1 23 ILE MD 1.800 . 4.930 3.461 3.461 3.461 . 0 0 "[ ]" 1
262 1 23 ILE HA 1 23 ILE MG 1.800 . 3.400 2.500 2.500 2.500 . 0 0 "[ ]" 1
263 1 23 ILE HA 1 23 ILE QG 1.800 . 3.710 2.179 2.179 2.179 . 0 0 "[ ]" 1
264 1 23 ILE HA 1 23 ILE MD 1.800 . 4.340 3.645 3.645 3.645 . 0 0 "[ ]" 1
265 1 23 ILE HB 1 23 ILE MD 1.800 . 3.510 2.072 2.072 2.072 . 0 0 "[ ]" 1
266 1 23 ILE H 1 24 PHE H 1.800 . 4.490 4.402 4.402 4.402 . 0 0 "[ ]" 1
267 1 23 ILE HA 1 24 PHE H 1.800 . 2.860 2.271 2.271 2.271 . 0 0 "[ ]" 1
268 1 23 ILE HB 1 24 PHE H 1.800 . 3.970 4.073 4.073 4.073 0.103 1 0 "[ ]" 1
269 1 23 ILE MG 1 24 PHE H 1.800 . 3.870 1.891 1.891 1.891 . 0 0 "[ ]" 1
270 1 23 ILE QG 1 24 PHE H 1.800 . 4.470 3.718 3.718 3.718 . 0 0 "[ ]" 1
271 1 23 ILE MG 1 24 PHE HA 1.800 . 4.140 3.299 3.299 3.299 . 0 0 "[ ]" 1
272 1 24 PHE H 1 24 PHE HB2 1.800 . 4.010 3.811 3.811 3.811 . 0 0 "[ ]" 1
273 1 24 PHE H 1 24 PHE HB3 1.800 . 3.950 3.451 3.451 3.451 . 0 0 "[ ]" 1
274 1 24 PHE H 1 24 PHE QD 1.800 . 4.620 2.480 2.480 2.480 . 0 0 "[ ]" 1
275 1 24 PHE H 1 24 PHE QE 1.800 . 5.400 3.807 3.807 3.807 . 0 0 "[ ]" 1
276 1 24 PHE HA 1 24 PHE HB2 1.800 . 2.920 2.571 2.571 2.571 . 0 0 "[ ]" 1
277 1 24 PHE HA 1 24 PHE HB3 1.800 . 2.940 2.374 2.374 2.374 . 0 0 "[ ]" 1
278 1 24 PHE HA 1 24 PHE QD 1.800 . 4.030 3.611 3.611 3.611 . 0 0 "[ ]" 1
279 1 24 PHE HB3 1 24 PHE QD 1.800 . 3.410 2.531 2.531 2.531 . 0 0 "[ ]" 1
280 1 24 PHE HA 1 25 ALA H 1.800 . 2.900 2.782 2.782 2.782 . 0 0 "[ ]" 1
281 1 24 PHE HB2 1 25 ALA H 1.800 . 3.230 1.875 1.875 1.875 . 0 0 "[ ]" 1
282 1 24 PHE HB3 1 25 ALA H 1.800 . 3.460 3.403 3.403 3.403 . 0 0 "[ ]" 1
283 1 24 PHE QD 1 25 ALA H 1.800 . 4.850 2.975 2.975 2.975 . 0 0 "[ ]" 1
284 1 24 PHE HA 1 25 ALA MB 1.800 . 4.500 3.758 3.758 3.758 . 0 0 "[ ]" 1
285 1 24 PHE QD 1 26 LEU QD 1.800 . 4.700 2.932 2.932 2.932 . 0 0 "[ ]" 1
286 1 24 PHE QE 1 41 ILE HA 1.800 . 4.840 3.472 3.472 3.472 . 0 0 "[ ]" 1
287 1 24 PHE QE 1 41 ILE QG 1.800 . 4.550 1.858 1.858 1.858 . 0 0 "[ ]" 1
288 1 24 PHE QE 1 41 ILE MD 1.800 . 4.290 3.200 3.200 3.200 . 0 0 "[ ]" 1
289 1 24 PHE HZ 1 41 ILE HA 1.800 . 4.410 4.181 4.181 4.181 . 0 0 "[ ]" 1
290 1 24 PHE HZ 1 41 ILE MG 1.800 . 4.270 2.439 2.439 2.439 . 0 0 "[ ]" 1
291 1 24 PHE HZ 1 41 ILE QG 1.800 . 4.430 2.630 2.630 2.630 . 0 0 "[ ]" 1
292 1 24 PHE HZ 1 41 ILE MD 1.800 . 4.590 3.015 3.015 3.015 . 0 0 "[ ]" 1
293 1 24 PHE QD 1 44 ARG QD 1.800 . 5.300 3.200 3.200 3.200 . 0 0 "[ ]" 1
294 1 24 PHE QE 1 45 ILE MD 1.800 . 5.440 4.048 4.048 4.048 . 0 0 "[ ]" 1
295 1 24 PHE HZ 1 45 ILE MD 1.800 . 5.200 3.670 3.670 3.670 . 0 0 "[ ]" 1
296 1 24 PHE QE 1 82 VAL QG 1.800 . 5.170 2.507 2.507 2.507 . 0 0 "[ ]" 1
297 1 24 PHE HZ 1 82 VAL QG 1.800 . 5.210 1.812 1.812 1.812 . 0 0 "[ ]" 1
298 1 25 ALA H 1 25 ALA MB 1.800 . 3.590 2.675 2.675 2.675 . 0 0 "[ ]" 1
299 1 25 ALA HA 1 26 LEU H 1.800 . 2.960 2.249 2.249 2.249 . 0 0 "[ ]" 1
300 1 25 ALA MB 1 26 LEU H 1.800 . 3.860 2.935 2.935 2.935 . 0 0 "[ ]" 1
301 1 26 LEU H 1 26 LEU HB2 1.800 . 3.450 2.661 2.661 2.661 . 0 0 "[ ]" 1
302 1 26 LEU H 1 26 LEU QD 1.800 . 5.060 3.706 3.706 3.706 . 0 0 "[ ]" 1
303 1 26 LEU HA 1 26 LEU HB2 1.800 . 2.950 2.740 2.740 2.740 . 0 0 "[ ]" 1
304 1 26 LEU HA 1 26 LEU HB3 1.800 . 3.060 2.955 2.955 2.955 . 0 0 "[ ]" 1
305 1 26 LEU HA 1 26 LEU QD 1.800 . 3.230 2.400 2.400 2.400 . 0 0 "[ ]" 1
306 1 26 LEU HB2 1 26 LEU QD 1.800 . 3.280 1.958 1.958 1.958 . 0 0 "[ ]" 1
307 1 26 LEU HB3 1 26 LEU QD 1.800 . 3.720 2.092 2.092 2.092 . 0 0 "[ ]" 1
308 1 26 LEU QD 1 26 LEU HG 1.800 . 3.340 1.887 1.887 1.887 . 0 0 "[ ]" 1
309 1 26 LEU HA 1 27 MET H 1.800 . 2.850 2.264 2.264 2.264 . 0 0 "[ ]" 1
310 1 26 LEU HB3 1 27 MET H 1.800 . 3.640 3.539 3.539 3.539 . 0 0 "[ ]" 1
311 1 26 LEU HG 1 27 MET H 1.800 . 4.420 2.449 2.449 2.449 . 0 0 "[ ]" 1
312 1 26 LEU QD 1 27 MET H 1.800 . 5.880 3.356 3.356 3.356 . 0 0 "[ ]" 1
313 1 26 LEU HB3 1 28 LEU H 1.800 . 4.390 4.433 4.433 4.433 0.043 1 0 "[ ]" 1
314 1 26 LEU QD 1 28 LEU QD 1.800 . 5.530 1.785 1.785 1.785 0.015 1 0 "[ ]" 1
315 1 26 LEU QD 1 32 THR MG 1.800 . 3.980 2.463 2.463 2.463 . 0 0 "[ ]" 1
316 1 26 LEU QD 1 37 LEU HA 1.800 . 4.470 2.735 2.735 2.735 . 0 0 "[ ]" 1
317 1 26 LEU QD 1 40 LYS QB 1.800 . 5.060 1.773 1.773 1.773 0.027 1 0 "[ ]" 1
318 1 26 LEU QD 1 40 LYS QE 1.800 . 4.790 3.179 3.179 3.179 . 0 0 "[ ]" 1
319 1 26 LEU QD 1 40 LYS QD 1.800 . 4.920 1.836 1.836 1.836 . 0 0 "[ ]" 1
320 1 27 MET H 1 27 MET HB2 1.800 . 3.250 2.619 2.619 2.619 . 0 0 "[ ]" 1
321 1 27 MET H 1 27 MET QG 1.800 . 3.930 2.657 2.657 2.657 . 0 0 "[ ]" 1
322 1 27 MET HA 1 27 MET HB3 1.800 . 3.050 2.442 2.442 2.442 . 0 0 "[ ]" 1
323 1 27 MET HA 1 27 MET ME 1.800 . 3.760 1.816 1.816 1.816 . 0 0 "[ ]" 1
324 1 27 MET ME 1 27 MET QG 1.800 . 4.020 2.457 2.457 2.457 . 0 0 "[ ]" 1
325 1 27 MET HB3 1 27 MET ME 1.800 . 4.020 1.963 1.963 1.963 . 0 0 "[ ]" 1
326 1 27 MET HB2 1 28 LEU H 1.800 . 4.440 4.380 4.380 4.380 . 0 0 "[ ]" 1
327 1 28 LEU H 1 28 LEU HB3 1.800 . 3.650 3.666 3.666 3.666 0.016 1 0 "[ ]" 1
328 1 28 LEU HA 1 28 LEU HB3 1.800 . 3.070 2.455 2.455 2.455 . 0 0 "[ ]" 1
329 1 28 LEU HA 1 28 LEU QD 1.800 . 4.690 1.778 1.778 1.778 0.022 1 0 "[ ]" 1
330 1 28 LEU HB2 1 28 LEU QD 1.800 . 3.340 2.010 2.010 2.010 . 0 0 "[ ]" 1
331 1 28 LEU HA 1 29 LYS H 1.800 . 2.950 2.183 2.183 2.183 . 0 0 "[ ]" 1
332 1 28 LEU H 1 74 ILE QG 1.800 . 4.850 4.217 4.217 4.217 . 0 0 "[ ]" 1
333 1 28 LEU HB2 1 74 ILE MD 1.800 . 3.680 2.282 2.282 2.282 . 0 0 "[ ]" 1
334 1 28 LEU HB3 1 74 ILE MD 1.800 . 3.710 1.745 1.745 1.745 0.055 1 0 "[ ]" 1
335 1 28 LEU QD 1 74 ILE QG 1.800 . 4.420 2.127 2.127 2.127 . 0 0 "[ ]" 1
336 1 29 LYS H 1 29 LYS QB 1.800 . 3.730 2.136 2.136 2.136 . 0 0 "[ ]" 1
337 1 29 LYS QB 1 29 LYS QG 1.800 . 3.910 2.091 2.091 2.091 . 0 0 "[ ]" 1
338 1 29 LYS HA 1 30 GLY H 1.800 . 3.310 3.314 3.314 3.314 0.004 1 0 "[ ]" 1
339 1 29 LYS QB 1 30 GLY H 1.800 . 4.540 3.366 3.366 3.366 . 0 0 "[ ]" 1
340 1 29 LYS QB 1 31 ASP H 1.800 . 3.890 2.955 2.955 2.955 . 0 0 "[ ]" 1
341 1 29 LYS H 1 32 THR H 1.800 . 5.090 3.519 3.519 3.519 . 0 0 "[ ]" 1
342 1 29 LYS QB 1 32 THR H 1.800 . 4.660 4.158 4.158 4.158 . 0 0 "[ ]" 1
343 1 29 LYS H 1 32 THR MG 1.800 . 5.240 4.300 4.300 4.300 . 0 0 "[ ]" 1
344 1 30 GLY H 1 31 ASP H 1.800 . 4.480 2.394 2.394 2.394 . 0 0 "[ ]" 1
345 1 30 GLY QA 1 31 ASP H 1.800 . 3.710 2.896 2.896 2.896 . 0 0 "[ ]" 1
346 1 30 GLY QA 1 74 ILE MD 1.800 . 4.250 2.700 2.700 2.700 . 0 0 "[ ]" 1
347 1 31 ASP H 1 31 ASP HB2 1.800 . 3.650 3.675 3.675 3.675 0.025 1 0 "[ ]" 1
348 1 31 ASP H 1 31 ASP HB3 1.800 . 3.520 2.941 2.941 2.941 . 0 0 "[ ]" 1
349 1 31 ASP HA 1 31 ASP HB2 1.800 . 2.810 2.504 2.504 2.504 . 0 0 "[ ]" 1
350 1 31 ASP HA 1 31 ASP HB3 1.800 . 2.810 2.435 2.435 2.435 . 0 0 "[ ]" 1
351 1 31 ASP H 1 32 THR H 1.800 . 3.560 2.138 2.138 2.138 . 0 0 "[ ]" 1
352 1 31 ASP HB2 1 32 THR H 1.800 . 4.550 4.022 4.022 4.022 . 0 0 "[ ]" 1
353 1 31 ASP HB3 1 32 THR H 1.800 . 4.510 4.215 4.215 4.215 . 0 0 "[ ]" 1
354 1 32 THR H 1 32 THR HB 1.800 . 3.300 3.109 3.109 3.109 . 0 0 "[ ]" 1
355 1 32 THR H 1 32 THR MG 1.800 . 4.320 3.557 3.557 3.557 . 0 0 "[ ]" 1
356 1 32 THR HA 1 32 THR HB 1.800 . 2.960 2.972 2.972 2.972 0.012 1 0 "[ ]" 1
357 1 32 THR HA 1 32 THR MG 1.800 . 3.130 2.179 2.179 2.179 . 0 0 "[ ]" 1
358 1 32 THR H 1 33 THR H 1.800 . 4.700 4.608 4.608 4.608 . 0 0 "[ ]" 1
359 1 32 THR HA 1 33 THR H 1.800 . 2.850 2.207 2.207 2.207 . 0 0 "[ ]" 1
360 1 32 THR HB 1 33 THR H 1.800 . 3.900 3.834 3.834 3.834 . 0 0 "[ ]" 1
361 1 32 THR HA 1 36 GLU HB2 1.800 . 4.180 3.619 3.619 3.619 . 0 0 "[ ]" 1
362 1 32 THR HA 1 36 GLU HB3 1.800 . 3.710 2.931 2.931 2.931 . 0 0 "[ ]" 1
363 1 32 THR MG 1 36 GLU QG 1.800 . 4.660 3.040 3.040 3.040 . 0 0 "[ ]" 1
364 1 32 THR HB 1 70 VAL QG 1.800 . 3.970 2.949 2.949 2.949 . 0 0 "[ ]" 1
365 1 32 THR HB 1 74 ILE MD 1.800 . 3.220 2.006 2.006 2.006 . 0 0 "[ ]" 1
366 1 32 THR MG 1 74 ILE MD 1.800 . 5.100 3.423 3.423 3.423 . 0 0 "[ ]" 1
367 1 33 THR H 1 33 THR HB 1.800 . 4.160 3.669 3.669 3.669 . 0 0 "[ ]" 1
368 1 33 THR H 1 33 THR MG 1.800 . 3.390 1.925 1.925 1.925 . 0 0 "[ ]" 1
369 1 33 THR HA 1 33 THR HB 1.800 . 2.800 2.260 2.260 2.260 . 0 0 "[ ]" 1
370 1 33 THR HA 1 33 THR MG 1.800 . 3.390 2.855 2.855 2.855 . 0 0 "[ ]" 1
371 1 33 THR H 1 34 TYR H 1.800 . 5.310 4.448 4.448 4.448 . 0 0 "[ ]" 1
372 1 33 THR HA 1 34 TYR H 1.800 . 3.300 2.683 2.683 2.683 . 0 0 "[ ]" 1
373 1 33 THR HB 1 34 TYR H 1.800 . 3.270 2.658 2.658 2.658 . 0 0 "[ ]" 1
374 1 33 THR MG 1 34 TYR H 1.800 . 4.580 3.846 3.846 3.846 . 0 0 "[ ]" 1
375 1 33 THR HA 1 35 LYS H 1.800 . 4.510 4.521 4.521 4.521 0.011 1 0 "[ ]" 1
376 1 33 THR HB 1 35 LYS H 1.800 . 3.650 3.742 3.742 3.742 0.092 1 0 "[ ]" 1
377 1 33 THR MG 1 35 LYS H 1.800 . 4.800 3.893 3.893 3.893 . 0 0 "[ ]" 1
378 1 33 THR H 1 36 GLU H 1.800 . 4.710 3.320 3.320 3.320 . 0 0 "[ ]" 1
379 1 33 THR HA 1 36 GLU H 1.800 . 4.740 4.510 4.510 4.510 . 0 0 "[ ]" 1
380 1 33 THR H 1 36 GLU HB2 1.800 . 3.470 2.051 2.051 2.051 . 0 0 "[ ]" 1
381 1 33 THR H 1 36 GLU HB3 1.800 . 3.300 1.983 1.983 1.983 . 0 0 "[ ]" 1
382 1 33 THR MG 1 36 GLU H 1.800 . 4.370 2.633 2.633 2.633 . 0 0 "[ ]" 1
383 1 33 THR MG 1 36 GLU HA 1.800 . 4.460 3.843 3.843 3.843 . 0 0 "[ ]" 1
384 1 33 THR MG 1 36 GLU HB2 1.800 . 3.690 1.642 1.642 1.642 0.158 1 0 "[ ]" 1
385 1 33 THR MG 1 36 GLU HB3 1.800 . 3.510 3.011 3.011 3.011 . 0 0 "[ ]" 1
386 1 33 THR HA 1 67 ASP HB3 1.800 . 3.640 2.813 2.813 2.813 . 0 0 "[ ]" 1
387 1 33 THR HA 1 70 VAL QG 1.800 . 4.980 3.541 3.541 3.541 . 0 0 "[ ]" 1
388 1 34 TYR H 1 34 TYR HB2 1.800 . 3.370 2.830 2.830 2.830 . 0 0 "[ ]" 1
389 1 34 TYR H 1 34 TYR HB3 1.800 . 3.260 2.389 2.389 2.389 . 0 0 "[ ]" 1
390 1 34 TYR H 1 34 TYR QD 1.800 . 5.510 4.167 4.167 4.167 . 0 0 "[ ]" 1
391 1 34 TYR HA 1 34 TYR QD 1.800 . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1
392 1 34 TYR HB3 1 34 TYR QD 1.800 . 3.350 2.320 2.320 2.320 . 0 0 "[ ]" 1
393 1 34 TYR H 1 35 LYS H 1.800 . 3.820 2.389 2.389 2.389 . 0 0 "[ ]" 1
394 1 34 TYR HA 1 35 LYS H 1.800 . 4.090 3.527 3.527 3.527 . 0 0 "[ ]" 1
395 1 34 TYR HB2 1 35 LYS H 1.800 . 3.960 3.983 3.983 3.983 0.023 1 0 "[ ]" 1
396 1 34 TYR HB3 1 35 LYS H 1.800 . 3.370 2.682 2.682 2.682 . 0 0 "[ ]" 1
397 1 34 TYR QD 1 35 LYS H 1.800 . 4.870 3.488 3.488 3.488 . 0 0 "[ ]" 1
398 1 34 TYR QD 1 35 LYS HA 1.800 . 4.520 3.658 3.658 3.658 . 0 0 "[ ]" 1
399 1 34 TYR QE 1 35 LYS QG 1.800 . 4.820 3.834 3.834 3.834 . 0 0 "[ ]" 1
400 1 34 TYR H 1 36 GLU H 1.800 . 5.240 3.770 3.770 3.770 . 0 0 "[ ]" 1
401 1 34 TYR HA 1 36 GLU H 1.800 . 4.440 4.431 4.431 4.431 . 0 0 "[ ]" 1
402 1 34 TYR HA 1 37 LEU H 1.800 . 3.950 3.547 3.547 3.547 . 0 0 "[ ]" 1
403 1 34 TYR HA 1 37 LEU HB2 1.800 . 3.580 3.158 3.158 3.158 . 0 0 "[ ]" 1
404 1 34 TYR HA 1 37 LEU HB3 1.800 . 3.390 3.078 3.078 3.078 . 0 0 "[ ]" 1
405 1 34 TYR HA 1 37 LEU QB 1.800 . 3.070 2.776 2.776 2.776 . 0 0 "[ ]" 1
406 1 34 TYR HA 1 37 LEU QD 1.800 . 4.780 3.554 3.554 3.554 . 0 0 "[ ]" 1
407 1 34 TYR QD 1 37 LEU HB3 1.800 . 4.660 4.088 4.088 4.088 . 0 0 "[ ]" 1
408 1 34 TYR HA 1 38 ARG H 1.800 . 4.320 4.137 4.137 4.137 . 0 0 "[ ]" 1
409 1 34 TYR QD 1 38 ARG H 1.800 . 5.960 4.934 4.934 4.934 . 0 0 "[ ]" 1
410 1 34 TYR QE 1 38 ARG QD 1.800 . 3.940 2.602 2.602 2.602 . 0 0 "[ ]" 1
411 1 34 TYR QE 1 52 LEU HB2 1.800 . 4.330 3.089 3.089 3.089 . 0 0 "[ ]" 1
412 1 34 TYR QE 1 52 LEU HG 1.800 . 4.710 4.219 4.219 4.219 . 0 0 "[ ]" 1
413 1 34 TYR QE 1 52 LEU QD 1.800 . 4.420 2.847 2.847 2.847 . 0 0 "[ ]" 1
414 1 34 TYR QE 1 64 ILE HB 1.800 . 4.250 3.137 3.137 3.137 . 0 0 "[ ]" 1
415 1 34 TYR QE 1 64 ILE MG 1.800 . 4.310 3.206 3.206 3.206 . 0 0 "[ ]" 1
416 1 34 TYR QD 1 65 LYS HA 1.800 . 4.280 3.355 3.355 3.355 . 0 0 "[ ]" 1
417 1 34 TYR QE 1 65 LYS HA 1.800 . 3.740 2.619 2.619 2.619 . 0 0 "[ ]" 1
418 1 34 TYR QD 1 66 THR H 1.800 . 5.690 3.416 3.416 3.416 . 0 0 "[ ]" 1
419 1 34 TYR H 1 67 ASP HA 1.800 . 3.520 2.130 2.130 2.130 . 0 0 "[ ]" 1
420 1 34 TYR HB2 1 67 ASP HA 1.800 . 3.040 2.715 2.715 2.715 . 0 0 "[ ]" 1
421 1 34 TYR H 1 70 VAL QG 1.800 . 5.310 2.983 2.983 2.983 . 0 0 "[ ]" 1
422 1 34 TYR HA 1 70 VAL QG 1.800 . 3.530 1.746 1.746 1.746 0.054 1 0 "[ ]" 1
423 1 34 TYR HB2 1 70 VAL QG 1.800 . 4.020 1.901 1.901 1.901 . 0 0 "[ ]" 1
424 1 34 TYR HB3 1 70 VAL QG 1.800 . 4.390 3.205 3.205 3.205 . 0 0 "[ ]" 1
425 1 34 TYR QD 1 70 VAL QG 1.800 . 3.690 2.083 2.083 2.083 . 0 0 "[ ]" 1
426 1 35 LYS H 1 35 LYS QB 1.800 . 3.390 2.351 2.351 2.351 . 0 0 "[ ]" 1
427 1 35 LYS H 1 35 LYS QG 1.800 . 3.970 2.587 2.587 2.587 . 0 0 "[ ]" 1
428 1 35 LYS HA 1 35 LYS QG 1.800 . 3.640 2.186 2.186 2.186 . 0 0 "[ ]" 1
429 1 35 LYS QB 1 35 LYS QG 1.800 . 3.030 2.079 2.079 2.079 . 0 0 "[ ]" 1
430 1 35 LYS QE 1 35 LYS QG 1.800 . 3.290 2.136 2.136 2.136 . 0 0 "[ ]" 1
431 1 35 LYS QD 1 35 LYS QE 1.800 . 3.030 2.097 2.097 2.097 . 0 0 "[ ]" 1
432 1 35 LYS H 1 36 GLU H 1.800 . 3.780 2.472 2.472 2.472 . 0 0 "[ ]" 1
433 1 35 LYS HA 1 36 GLU H 1.800 . 3.890 3.551 3.551 3.551 . 0 0 "[ ]" 1
434 1 35 LYS QG 1 36 GLU H 1.800 . 4.740 4.127 4.127 4.127 . 0 0 "[ ]" 1
435 1 35 LYS H 1 37 LEU H 1.800 . 5.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
436 1 35 LYS HA 1 38 ARG HB2 1.800 . 3.260 2.058 2.058 2.058 . 0 0 "[ ]" 1
437 1 35 LYS HA 1 38 ARG HB3 1.800 . 3.240 3.284 3.284 3.284 0.044 1 0 "[ ]" 1
438 1 35 LYS HA 1 38 ARG QD 1.800 . 4.170 2.940 2.940 2.940 . 0 0 "[ ]" 1
439 1 35 LYS H 1 70 VAL QG 1.800 . 5.750 4.253 4.253 4.253 . 0 0 "[ ]" 1
440 1 36 GLU H 1 36 GLU HB2 1.800 . 3.280 2.205 2.205 2.205 . 0 0 "[ ]" 1
441 1 36 GLU H 1 36 GLU HB3 1.800 . 3.080 3.014 3.014 3.014 . 0 0 "[ ]" 1
442 1 36 GLU HA 1 36 GLU HB2 1.800 . 2.980 2.693 2.693 2.693 . 0 0 "[ ]" 1
443 1 36 GLU HA 1 36 GLU HB3 1.800 . 3.110 2.970 2.970 2.970 . 0 0 "[ ]" 1
444 1 36 GLU HA 1 36 GLU QG 1.800 . 3.530 2.237 2.237 2.237 . 0 0 "[ ]" 1
445 1 36 GLU H 1 37 LEU H 1.800 . 3.660 2.651 2.651 2.651 . 0 0 "[ ]" 1
446 1 36 GLU HA 1 37 LEU H 1.800 . 3.960 3.542 3.542 3.542 . 0 0 "[ ]" 1
447 1 36 GLU HB2 1 37 LEU H 1.800 . 3.640 3.371 3.371 3.371 . 0 0 "[ ]" 1
448 1 36 GLU HA 1 38 ARG H 1.800 . 4.330 4.344 4.344 4.344 0.014 1 0 "[ ]" 1
449 1 36 GLU HB2 1 40 LYS QE 1.800 . 3.790 3.437 3.437 3.437 . 0 0 "[ ]" 1
450 1 37 LEU H 1 37 LEU HB2 1.800 . 3.190 2.229 2.229 2.229 . 0 0 "[ ]" 1
451 1 37 LEU H 1 37 LEU HB3 1.800 . 3.200 2.785 2.785 2.785 . 0 0 "[ ]" 1
452 1 37 LEU H 1 37 LEU QD 1.800 . 4.800 3.661 3.661 3.661 . 0 0 "[ ]" 1
453 1 37 LEU HA 1 37 LEU HB2 1.800 . 2.960 2.632 2.632 2.632 . 0 0 "[ ]" 1
454 1 37 LEU HA 1 37 LEU QD 1.800 . 3.450 1.748 1.748 1.748 0.052 1 0 "[ ]" 1
455 1 37 LEU HB2 1 37 LEU QD 1.800 . 4.030 2.545 2.545 2.545 . 0 0 "[ ]" 1
456 1 37 LEU HB3 1 37 LEU QD 1.800 . 3.740 1.902 1.902 1.902 . 0 0 "[ ]" 1
457 1 37 LEU QD 1 37 LEU HG 1.800 . 3.290 1.902 1.902 1.902 . 0 0 "[ ]" 1
458 1 37 LEU H 1 38 ARG H 1.800 . 3.810 2.624 2.624 2.624 . 0 0 "[ ]" 1
459 1 37 LEU HB3 1 38 ARG H 1.800 . 3.390 2.529 2.529 2.529 . 0 0 "[ ]" 1
460 1 37 LEU QD 1 38 ARG H 1.800 . 5.160 3.388 3.388 3.388 . 0 0 "[ ]" 1
461 1 37 LEU H 1 39 SER H 1.800 . 5.080 4.245 4.245 4.245 . 0 0 "[ ]" 1
462 1 37 LEU HA 1 40 LYS H 1.800 . 3.800 3.241 3.241 3.241 . 0 0 "[ ]" 1
463 1 37 LEU QD 1 40 LYS H 1.800 . 5.670 3.340 3.340 3.340 . 0 0 "[ ]" 1
464 1 37 LEU HA 1 40 LYS QB 1.800 . 3.120 2.192 2.192 2.192 . 0 0 "[ ]" 1
465 1 37 LEU QD 1 41 ILE MG 1.800 . 6.030 3.542 3.542 3.542 . 0 0 "[ ]" 1
466 1 37 LEU QD 1 41 ILE MD 1.800 . 4.060 1.530 1.530 1.530 0.270 1 0 "[ ]" 1
467 1 37 LEU QD 1 52 LEU HB2 1.800 . 4.800 3.619 3.619 3.619 . 0 0 "[ ]" 1
468 1 37 LEU QD 1 52 LEU QD 1.800 . 4.270 1.734 1.734 1.734 0.066 1 0 "[ ]" 1
469 1 37 LEU HB3 1 70 VAL QG 1.800 . 4.490 2.946 2.946 2.946 . 0 0 "[ ]" 1
470 1 37 LEU QD 1 80 ILE MD 1.800 . 5.180 2.780 2.780 2.780 . 0 0 "[ ]" 1
471 1 38 ARG H 1 38 ARG HB2 1.800 . 3.220 2.055 2.055 2.055 . 0 0 "[ ]" 1
472 1 38 ARG H 1 38 ARG HB3 1.800 . 3.510 3.279 3.279 3.279 . 0 0 "[ ]" 1
473 1 38 ARG H 1 38 ARG QG 1.800 . 3.760 3.366 3.366 3.366 . 0 0 "[ ]" 1
474 1 38 ARG H 1 38 ARG QD 1.800 . 4.850 4.192 4.192 4.192 . 0 0 "[ ]" 1
475 1 38 ARG HA 1 38 ARG QG 1.800 . 3.500 2.135 2.135 2.135 . 0 0 "[ ]" 1
476 1 38 ARG QD 1 38 ARG QG 1.800 . 3.790 2.061 2.061 2.061 . 0 0 "[ ]" 1
477 1 38 ARG HB2 1 38 ARG QD 1.800 . 3.850 2.413 2.413 2.413 . 0 0 "[ ]" 1
478 1 38 ARG HB3 1 38 ARG QD 1.800 . 3.870 2.298 2.298 2.298 . 0 0 "[ ]" 1
479 1 38 ARG H 1 39 SER H 1.800 . 3.720 2.812 2.812 2.812 . 0 0 "[ ]" 1
480 1 38 ARG HA 1 39 SER H 1.800 . 3.940 3.565 3.565 3.565 . 0 0 "[ ]" 1
481 1 38 ARG HB2 1 39 SER H 1.800 . 3.400 3.168 3.168 3.168 . 0 0 "[ ]" 1
482 1 38 ARG HB3 1 39 SER H 1.800 . 3.540 2.836 2.836 2.836 . 0 0 "[ ]" 1
483 1 38 ARG QG 1 39 SER H 1.800 . 4.830 4.353 4.353 4.353 . 0 0 "[ ]" 1
484 1 38 ARG HA 1 41 ILE H 1.800 . 3.970 3.564 3.564 3.564 . 0 0 "[ ]" 1
485 1 38 ARG H 1 41 ILE MD 1.800 . 5.600 4.674 4.674 4.674 . 0 0 "[ ]" 1
486 1 38 ARG HA 1 41 ILE MD 1.800 . 4.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
487 1 38 ARG HA 1 41 ILE HB 1.800 . 3.190 3.072 3.072 3.072 . 0 0 "[ ]" 1
488 1 38 ARG HA 1 42 ALA H 1.800 . 4.260 3.877 3.877 3.877 . 0 0 "[ ]" 1
489 1 38 ARG HA 1 50 PHE QE 1.800 . 4.350 2.520 2.520 2.520 . 0 0 "[ ]" 1
490 1 38 ARG QG 1 50 PHE QE 1.800 . 4.050 3.017 3.017 3.017 . 0 0 "[ ]" 1
491 1 38 ARG HA 1 50 PHE HZ 1.800 . 3.630 2.911 2.911 2.911 . 0 0 "[ ]" 1
492 1 38 ARG HB3 1 50 PHE HZ 1.800 . 4.250 3.879 3.879 3.879 . 0 0 "[ ]" 1
493 1 38 ARG QG 1 50 PHE HZ 1.800 . 4.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
494 1 38 ARG HA 1 52 LEU QD 1.800 . 4.980 3.001 3.001 3.001 . 0 0 "[ ]" 1
495 1 39 SER H 1 39 SER QB 1.800 . 3.260 2.286 2.286 2.286 . 0 0 "[ ]" 1
496 1 39 SER QB 1 40 LYS H 1.800 . 3.910 3.113 3.113 3.113 . 0 0 "[ ]" 1
497 1 39 SER HA 1 42 ALA H 1.800 . 3.950 3.516 3.516 3.516 . 0 0 "[ ]" 1
498 1 39 SER HA 1 42 ALA MB 1.800 . 2.930 2.462 2.462 2.462 . 0 0 "[ ]" 1
499 1 40 LYS H 1 40 LYS QB 1.800 . 3.470 2.358 2.358 2.358 . 0 0 "[ ]" 1
500 1 40 LYS H 1 40 LYS QG 1.800 . 3.660 2.545 2.545 2.545 . 0 0 "[ ]" 1
501 1 40 LYS HA 1 40 LYS QG 1.800 . 3.370 2.338 2.338 2.338 . 0 0 "[ ]" 1
502 1 40 LYS QE 1 40 LYS QG 1.800 . 4.080 1.902 1.902 1.902 . 0 0 "[ ]" 1
503 1 40 LYS QD 1 40 LYS QE 1.800 . 3.550 2.055 2.055 2.055 . 0 0 "[ ]" 1
504 1 40 LYS HA 1 40 LYS QD 1.800 . 4.370 3.967 3.967 3.967 . 0 0 "[ ]" 1
505 1 40 LYS H 1 41 ILE H 1.800 . 3.490 2.263 2.263 2.263 . 0 0 "[ ]" 1
506 1 40 LYS HA 1 41 ILE H 1.800 . 4.120 3.437 3.437 3.437 . 0 0 "[ ]" 1
507 1 40 LYS QB 1 41 ILE H 1.800 . 3.960 3.018 3.018 3.018 . 0 0 "[ ]" 1
508 1 40 LYS HA 1 43 PRO QD 1.800 . 4.240 3.423 3.423 3.423 . 0 0 "[ ]" 1
509 1 41 ILE H 1 41 ILE HB 1.800 . 3.130 2.348 2.348 2.348 . 0 0 "[ ]" 1
510 1 41 ILE H 1 41 ILE MG 1.800 . 4.510 3.702 3.702 3.702 . 0 0 "[ ]" 1
511 1 41 ILE H 1 41 ILE QG 1.800 . 3.830 2.865 2.865 2.865 . 0 0 "[ ]" 1
512 1 41 ILE H 1 41 ILE MD 1.800 . 4.540 3.729 3.729 3.729 . 0 0 "[ ]" 1
513 1 41 ILE HA 1 41 ILE MG 1.800 . 3.590 2.433 2.433 2.433 . 0 0 "[ ]" 1
514 1 41 ILE HA 1 41 ILE QG 1.800 . 3.540 2.334 2.334 2.334 . 0 0 "[ ]" 1
515 1 41 ILE HB 1 41 ILE MD 1.800 . 3.250 2.125 2.125 2.125 . 0 0 "[ ]" 1
516 1 41 ILE H 1 42 ALA H 1.800 . 3.390 2.135 2.135 2.135 . 0 0 "[ ]" 1
517 1 41 ILE HA 1 42 ALA H 1.800 . 3.960 3.522 3.522 3.522 . 0 0 "[ ]" 1
518 1 41 ILE MG 1 42 ALA H 1.800 . 4.520 3.234 3.234 3.234 . 0 0 "[ ]" 1
519 1 41 ILE QG 1 42 ALA H 1.800 . 4.710 4.201 4.201 4.201 . 0 0 "[ ]" 1
520 1 41 ILE MD 1 42 ALA H 1.800 . 5.310 4.470 4.470 4.470 . 0 0 "[ ]" 1
521 1 41 ILE MG 1 42 ALA HA 1.800 . 4.180 3.290 3.290 3.290 . 0 0 "[ ]" 1
522 1 41 ILE H 1 43 PRO QD 1.800 . 4.940 2.949 2.949 2.949 . 0 0 "[ ]" 1
523 1 41 ILE HA 1 44 ARG H 1.800 . 4.420 3.084 3.084 3.084 . 0 0 "[ ]" 1
524 1 41 ILE HA 1 44 ARG QG 1.800 . 4.050 3.358 3.358 3.358 . 0 0 "[ ]" 1
525 1 41 ILE MG 1 45 ILE H 1.800 . 5.510 3.658 3.658 3.658 . 0 0 "[ ]" 1
526 1 41 ILE MG 1 45 ILE MD 1.800 . 3.940 1.693 1.693 1.693 0.107 1 0 "[ ]" 1
527 1 41 ILE MG 1 45 ILE QG 1.800 . 4.700 1.595 1.595 1.595 0.205 1 0 "[ ]" 1
528 1 41 ILE MD 1 45 ILE MD 1.800 . 5.120 3.541 3.541 3.541 . 0 0 "[ ]" 1
529 1 41 ILE HB 1 50 PHE QD 1.800 . 4.360 3.888 3.888 3.888 . 0 0 "[ ]" 1
530 1 41 ILE MD 1 50 PHE QD 1.800 . 4.540 3.385 3.385 3.385 . 0 0 "[ ]" 1
531 1 41 ILE MG 1 50 PHE QE 1.800 . 4.930 2.428 2.428 2.428 . 0 0 "[ ]" 1
532 1 41 ILE MD 1 50 PHE QE 1.800 . 5.030 2.548 2.548 2.548 . 0 0 "[ ]" 1
533 1 41 ILE HB 1 50 PHE HZ 1.800 . 3.630 3.301 3.301 3.301 . 0 0 "[ ]" 1
534 1 41 ILE MG 1 50 PHE HZ 1.800 . 5.120 3.530 3.530 3.530 . 0 0 "[ ]" 1
535 1 41 ILE MG 1 52 LEU QD 1.800 . 5.060 2.134 2.134 2.134 . 0 0 "[ ]" 1
536 1 41 ILE MD 1 52 LEU QD 1.800 . 4.410 1.459 1.459 1.459 0.341 1 0 "[ ]" 1
537 1 41 ILE MD 1 80 ILE MG 1.800 . 5.060 3.268 3.268 3.268 . 0 0 "[ ]" 1
538 1 41 ILE MG 1 82 VAL QG 1.800 . 4.600 1.888 1.888 1.888 . 0 0 "[ ]" 1
539 1 41 ILE MD 1 82 VAL QG 1.800 . 4.720 2.548 2.548 2.548 . 0 0 "[ ]" 1
540 1 41 ILE QG 1 82 VAL QG 1.800 . 5.010 3.331 3.331 3.331 . 0 0 "[ ]" 1
541 1 42 ALA H 1 42 ALA MB 1.800 . 3.350 2.081 2.081 2.081 . 0 0 "[ ]" 1
542 1 42 ALA MB 1 43 PRO QD 1.800 . 3.550 1.953 1.953 1.953 . 0 0 "[ ]" 1
543 1 42 ALA H 1 43 PRO QD 1.800 . 3.820 2.278 2.278 2.278 . 0 0 "[ ]" 1
544 1 42 ALA H 1 43 PRO QG 1.800 . 5.100 4.228 4.228 4.228 . 0 0 "[ ]" 1
545 1 42 ALA HA 1 45 ILE QG 1.800 . 3.800 2.408 2.408 2.408 . 0 0 "[ ]" 1
546 1 42 ALA HA 1 45 ILE MD 1.800 . 4.380 3.662 3.662 3.662 . 0 0 "[ ]" 1
547 1 42 ALA MB 1 45 ILE QG 1.800 . 5.200 3.911 3.911 3.911 . 0 0 "[ ]" 1
548 1 42 ALA HA 1 47 THR H 1.800 . 3.760 3.814 3.814 3.814 0.054 1 0 "[ ]" 1
549 1 42 ALA MB 1 48 ASP HA 1.800 . 3.850 2.524 2.524 2.524 . 0 0 "[ ]" 1
550 1 42 ALA MB 1 48 ASP QB 1.800 . 4.890 3.638 3.638 3.638 . 0 0 "[ ]" 1
551 1 42 ALA H 1 50 PHE HZ 1.800 . 4.610 2.504 2.504 2.504 . 0 0 "[ ]" 1
552 1 42 ALA HA 1 50 PHE QE 1.800 . 4.130 2.640 2.640 2.640 . 0 0 "[ ]" 1
553 1 42 ALA MB 1 50 PHE QE 1.800 . 4.360 2.177 2.177 2.177 . 0 0 "[ ]" 1
554 1 43 PRO HA 1 43 PRO QD 1.800 . 4.180 3.460 3.460 3.460 . 0 0 "[ ]" 1
555 1 43 PRO QD 1 43 PRO QG 1.800 . 3.660 1.971 1.971 1.971 . 0 0 "[ ]" 1
556 1 43 PRO QD 1 44 ARG H 1.800 . 4.300 2.396 2.396 2.396 . 0 0 "[ ]" 1
557 1 43 PRO HA 1 44 ARG H 1.800 . 4.280 3.505 3.505 3.505 . 0 0 "[ ]" 1
558 1 43 PRO QB 1 44 ARG H 1.800 . 4.530 3.271 3.271 3.271 . 0 0 "[ ]" 1
559 1 43 PRO QG 1 44 ARG H 1.800 . 4.650 2.732 2.732 2.732 . 0 0 "[ ]" 1
560 1 43 PRO HA 1 45 ILE H 1.800 . 4.570 3.663 3.663 3.663 . 0 0 "[ ]" 1
561 1 44 ARG H 1 44 ARG HB2 1.800 . 3.510 2.257 2.257 2.257 . 0 0 "[ ]" 1
562 1 44 ARG H 1 44 ARG HB3 1.800 . 3.710 3.560 3.560 3.560 . 0 0 "[ ]" 1
563 1 44 ARG H 1 44 ARG QG 1.800 . 4.050 2.886 2.886 2.886 . 0 0 "[ ]" 1
564 1 44 ARG HA 1 44 ARG HB3 1.800 . 2.990 2.623 2.623 2.623 . 0 0 "[ ]" 1
565 1 44 ARG HA 1 44 ARG QG 1.800 . 3.330 2.317 2.317 2.317 . 0 0 "[ ]" 1
566 1 44 ARG HA 1 44 ARG QD 1.800 . 3.710 2.478 2.478 2.478 . 0 0 "[ ]" 1
567 1 44 ARG QD 1 44 ARG QG 1.800 . 3.680 2.095 2.095 2.095 . 0 0 "[ ]" 1
568 1 44 ARG HB2 1 44 ARG QD 1.800 . 3.830 3.207 3.207 3.207 . 0 0 "[ ]" 1
569 1 44 ARG H 1 45 ILE H 1.800 . 3.630 2.436 2.436 2.436 . 0 0 "[ ]" 1
570 1 44 ARG HB2 1 45 ILE H 1.800 . 4.360 3.504 3.504 3.504 . 0 0 "[ ]" 1
571 1 44 ARG QG 1 45 ILE H 1.800 . 5.040 4.495 4.495 4.495 . 0 0 "[ ]" 1
572 1 44 ARG H 1 45 ILE QG 1.800 . 4.840 3.671 3.671 3.671 . 0 0 "[ ]" 1
573 1 45 ILE H 1 45 ILE HB 1.800 . 3.930 2.620 2.620 2.620 . 0 0 "[ ]" 1
574 1 45 ILE H 1 45 ILE MG 1.800 . 4.570 3.824 3.824 3.824 . 0 0 "[ ]" 1
575 1 45 ILE H 1 45 ILE QG 1.800 . 4.000 2.580 2.580 2.580 . 0 0 "[ ]" 1
576 1 45 ILE H 1 45 ILE MD 1.800 . 5.020 4.125 4.125 4.125 . 0 0 "[ ]" 1
577 1 45 ILE HA 1 45 ILE HB 1.800 . 3.030 3.024 3.024 3.024 . 0 0 "[ ]" 1
578 1 45 ILE HA 1 45 ILE MG 1.800 . 3.310 2.296 2.296 2.296 . 0 0 "[ ]" 1
579 1 45 ILE HA 1 45 ILE MD 1.800 . 3.720 3.168 3.168 3.168 . 0 0 "[ ]" 1
580 1 45 ILE HB 1 45 ILE MD 1.800 . 3.620 2.759 2.759 2.759 . 0 0 "[ ]" 1
581 1 45 ILE HA 1 45 ILE QG 1.800 . 4.090 2.468 2.468 2.468 . 0 0 "[ ]" 1
582 1 45 ILE H 1 46 ASP H 1.800 . 4.010 2.057 2.057 2.057 . 0 0 "[ ]" 1
583 1 45 ILE HA 1 46 ASP H 1.800 . 3.600 3.497 3.497 3.497 . 0 0 "[ ]" 1
584 1 45 ILE HB 1 46 ASP H 1.800 . 3.730 2.610 2.610 2.610 . 0 0 "[ ]" 1
585 1 45 ILE MG 1 46 ASP H 1.800 . 4.340 3.655 3.655 3.655 . 0 0 "[ ]" 1
586 1 45 ILE QG 1 46 ASP H 1.800 . 5.020 3.804 3.804 3.804 . 0 0 "[ ]" 1
587 1 45 ILE HB 1 47 THR H 1.800 . 3.920 2.062 2.062 2.062 . 0 0 "[ ]" 1
588 1 45 ILE H 1 47 THR MG 1.800 . 5.120 4.287 4.287 4.287 . 0 0 "[ ]" 1
589 1 45 ILE MG 1 47 THR H 1.800 . 3.740 2.958 2.958 2.958 . 0 0 "[ ]" 1
590 1 45 ILE QG 1 47 THR H 1.800 . 4.410 3.958 3.958 3.958 . 0 0 "[ ]" 1
591 1 45 ILE MD 1 47 THR H 1.800 . 5.150 4.312 4.312 4.312 . 0 0 "[ ]" 1
592 1 45 ILE MG 1 47 THR MG 1.800 . 4.490 1.590 1.590 1.590 0.210 1 0 "[ ]" 1
593 1 45 ILE QG 1 47 THR MG 1.800 . 4.650 3.432 3.432 3.432 . 0 0 "[ ]" 1
594 1 45 ILE MD 1 47 THR MG 1.800 . 3.850 2.752 2.752 2.752 . 0 0 "[ ]" 1
595 1 45 ILE MG 1 50 PHE QB 1.800 . 4.220 2.335 2.335 2.335 . 0 0 "[ ]" 1
596 1 45 ILE MG 1 50 PHE QD 1.800 . 4.680 3.403 3.403 3.403 . 0 0 "[ ]" 1
597 1 45 ILE MD 1 50 PHE QD 1.800 . 4.460 2.230 2.230 2.230 . 0 0 "[ ]" 1
598 1 45 ILE MD 1 50 PHE QB 1.800 . 4.320 1.877 1.877 1.877 . 0 0 "[ ]" 1
599 1 45 ILE MD 1 82 VAL QG 1.800 . 4.140 1.566 1.566 1.566 0.234 1 0 "[ ]" 1
600 1 45 ILE MG 1 82 VAL QG 1.800 . 4.670 2.916 2.916 2.916 . 0 0 "[ ]" 1
601 1 46 ASP H 1 46 ASP HA 1.800 . 3.030 2.395 2.395 2.395 . 0 0 "[ ]" 1
602 1 46 ASP HA 1 46 ASP HB2 1.800 . 3.010 3.024 3.024 3.024 0.014 1 0 "[ ]" 1
603 1 46 ASP HA 1 46 ASP HB3 1.800 . 2.900 2.384 2.384 2.384 . 0 0 "[ ]" 1
604 1 46 ASP H 1 47 THR H 1.800 . 3.700 2.204 2.204 2.204 . 0 0 "[ ]" 1
605 1 46 ASP HA 1 47 THR H 1.800 . 3.280 3.209 3.209 3.209 . 0 0 "[ ]" 1
606 1 46 ASP HB2 1 47 THR H 1.800 . 3.820 3.725 3.725 3.725 . 0 0 "[ ]" 1
607 1 46 ASP HB3 1 47 THR H 1.800 . 4.490 4.490 4.490 4.490 0.000 1 0 "[ ]" 1
608 1 46 ASP H 1 47 THR MG 1.800 . 5.190 3.635 3.635 3.635 . 0 0 "[ ]" 1
609 1 46 ASP HB2 1 47 THR MG 1.800 . 4.340 3.668 3.668 3.668 . 0 0 "[ ]" 1
610 1 47 THR H 1 47 THR MG 1.800 . 3.810 1.976 1.976 1.976 . 0 0 "[ ]" 1
611 1 47 THR HA 1 47 THR HB 1.800 . 2.710 2.384 2.384 2.384 . 0 0 "[ ]" 1
612 1 47 THR HA 1 47 THR MG 1.800 . 3.850 3.175 3.175 3.175 . 0 0 "[ ]" 1
613 1 47 THR H 1 48 ASP H 1.800 . 4.850 4.429 4.429 4.429 . 0 0 "[ ]" 1
614 1 47 THR HA 1 48 ASP H 1.800 . 2.970 2.534 2.534 2.534 . 0 0 "[ ]" 1
615 1 47 THR HB 1 48 ASP H 1.800 . 3.580 3.589 3.589 3.589 0.009 1 0 "[ ]" 1
616 1 47 THR MG 1 48 ASP H 1.800 . 4.800 3.559 3.559 3.559 . 0 0 "[ ]" 1
617 1 47 THR HB 1 49 ASN H 1.800 . 4.080 4.099 4.099 4.099 0.019 1 0 "[ ]" 1
618 1 47 THR MG 1 49 ASN H 1.800 . 4.370 3.129 3.129 3.129 . 0 0 "[ ]" 1
619 1 47 THR MG 1 50 PHE H 1.800 . 5.470 4.592 4.592 4.592 . 0 0 "[ ]" 1
620 1 47 THR MG 1 50 PHE QB 1.800 . 4.070 2.574 2.574 2.574 . 0 0 "[ ]" 1
621 1 47 THR MG 1 50 PHE QD 1.800 . 4.070 2.747 2.747 2.747 . 0 0 "[ ]" 1
622 1 47 THR MG 1 84 ASP HA 1.800 . 4.050 3.413 3.413 3.413 . 0 0 "[ ]" 1
623 1 48 ASP H 1 48 ASP QB 1.800 . 3.520 3.072 3.072 3.072 . 0 0 "[ ]" 1
624 1 48 ASP H 1 49 ASN H 1.800 . 3.580 2.042 2.042 2.042 . 0 0 "[ ]" 1
625 1 48 ASP QB 1 49 ASN H 1.800 . 4.650 3.533 3.533 3.533 . 0 0 "[ ]" 1
626 1 48 ASP QB 1 49 ASN QD 1.800 . 5.900 3.950 3.950 3.950 . 0 0 "[ ]" 1
627 1 48 ASP HA 1 50 PHE QE 1.800 . 3.800 2.401 2.401 2.401 . 0 0 "[ ]" 1
628 1 48 ASP QB 1 50 PHE QE 1.800 . 5.230 3.985 3.985 3.985 . 0 0 "[ ]" 1
629 1 49 ASN H 1 49 ASN HB2 1.800 . 3.590 2.486 2.486 2.486 . 0 0 "[ ]" 1
630 1 49 ASN H 1 49 ASN HB3 1.800 . 3.820 3.687 3.687 3.687 . 0 0 "[ ]" 1
631 1 49 ASN HA 1 49 ASN HB2 1.800 . 2.950 3.006 3.006 3.006 0.056 1 0 "[ ]" 1
632 1 49 ASN HA 1 49 ASN HB3 1.800 . 2.900 2.601 2.601 2.601 . 0 0 "[ ]" 1
633 1 49 ASN H 1 49 ASN QD 1.800 . 5.980 4.173 4.173 4.173 . 0 0 "[ ]" 1
634 1 49 ASN HA 1 49 ASN QD 1.800 . 4.990 1.869 1.869 1.869 . 0 0 "[ ]" 1
635 1 49 ASN HA 1 50 PHE H 1.800 . 2.870 2.196 2.196 2.196 . 0 0 "[ ]" 1
636 1 49 ASN QD 1 50 PHE H 1.800 . 5.610 3.536 3.536 3.536 . 0 0 "[ ]" 1
637 1 49 ASN HA 1 50 PHE QD 1.800 . 3.770 3.132 3.132 3.132 . 0 0 "[ ]" 1
638 1 49 ASN HA 1 85 ILE MD 1.800 . 4.130 2.805 2.805 2.805 . 0 0 "[ ]" 1
639 1 49 ASN HB3 1 85 ILE HB 1.800 . 3.730 3.753 3.753 3.753 0.023 1 0 "[ ]" 1
640 1 49 ASN HB2 1 85 ILE MD 1.800 . 4.410 3.685 3.685 3.685 . 0 0 "[ ]" 1
641 1 49 ASN HB3 1 85 ILE QG 1.800 . 3.890 2.675 2.675 2.675 . 0 0 "[ ]" 1
642 1 49 ASN HB3 1 85 ILE MD 1.800 . 3.910 2.133 2.133 2.133 . 0 0 "[ ]" 1
643 1 50 PHE H 1 50 PHE QD 1.800 . 4.600 2.559 2.559 2.559 . 0 0 "[ ]" 1
644 1 50 PHE H 1 50 PHE QE 1.800 . 5.990 3.822 3.822 3.822 . 0 0 "[ ]" 1
645 1 50 PHE HA 1 50 PHE QD 1.800 . 4.030 3.544 3.544 3.544 . 0 0 "[ ]" 1
646 1 50 PHE H 1 51 LYS H 1.800 . 5.040 4.417 4.417 4.417 . 0 0 "[ ]" 1
647 1 50 PHE HA 1 51 LYS H 1.800 . 3.100 2.513 2.513 2.513 . 0 0 "[ ]" 1
648 1 50 PHE QB 1 51 LYS H 1.800 . 3.590 2.336 2.336 2.336 . 0 0 "[ ]" 1
649 1 50 PHE QD 1 51 LYS H 1.800 . 5.140 3.817 3.817 3.817 . 0 0 "[ ]" 1
650 1 50 PHE QD 1 52 LEU H 1.800 . 5.600 4.904 4.904 4.904 . 0 0 "[ ]" 1
651 1 50 PHE QD 1 52 LEU HG 1.800 . 4.010 2.930 2.930 2.930 . 0 0 "[ ]" 1
652 1 50 PHE QE 1 52 LEU HG 1.800 . 4.300 3.841 3.841 3.841 . 0 0 "[ ]" 1
653 1 50 PHE QB 1 82 VAL QG 1.800 . 4.140 2.221 2.221 2.221 . 0 0 "[ ]" 1
654 1 50 PHE QD 1 82 VAL QG 1.800 . 4.640 2.344 2.344 2.344 . 0 0 "[ ]" 1
655 1 50 PHE HA 1 84 ASP HA 1.800 . 2.730 2.745 2.745 2.745 0.015 1 0 "[ ]" 1
656 1 50 PHE HA 1 85 ILE H 1.800 . 3.550 2.366 2.366 2.366 . 0 0 "[ ]" 1
657 1 50 PHE H 1 85 ILE QG 1.800 . 4.770 3.009 3.009 3.009 . 0 0 "[ ]" 1
658 1 50 PHE H 1 85 ILE MD 1.800 . 4.580 2.661 2.661 2.661 . 0 0 "[ ]" 1
659 1 50 PHE HA 1 85 ILE QG 1.800 . 3.630 1.843 1.843 1.843 . 0 0 "[ ]" 1
660 1 50 PHE HA 1 85 ILE MG 1.800 . 4.100 3.415 3.415 3.415 . 0 0 "[ ]" 1
661 1 50 PHE HA 1 85 ILE MD 1.800 . 4.250 3.200 3.200 3.200 . 0 0 "[ ]" 1
662 1 51 LYS H 1 51 LYS QG 1.800 . 4.110 1.813 1.813 1.813 . 0 0 "[ ]" 1
663 1 51 LYS HA 1 51 LYS QG 1.800 . 3.930 3.108 3.108 3.108 . 0 0 "[ ]" 1
664 1 51 LYS QB 1 51 LYS QG 1.800 . 3.880 2.095 2.095 2.095 . 0 0 "[ ]" 1
665 1 51 LYS QB 1 51 LYS QD 1.800 . 4.050 2.189 2.189 2.189 . 0 0 "[ ]" 1
666 1 51 LYS QB 1 51 LYS QE 1.800 . 4.670 1.985 1.985 1.985 . 0 0 "[ ]" 1
667 1 51 LYS QE 1 51 LYS QG 1.800 . 4.050 2.308 2.308 2.308 . 0 0 "[ ]" 1
668 1 51 LYS QD 1 51 LYS QG 1.800 . 2.950 2.036 2.036 2.036 . 0 0 "[ ]" 1
669 1 51 LYS QD 1 51 LYS QE 1.800 . 3.020 2.084 2.084 2.084 . 0 0 "[ ]" 1
670 1 51 LYS HA 1 52 LEU H 1.800 . 3.000 2.266 2.266 2.266 . 0 0 "[ ]" 1
671 1 56 LEU QD 1 61 GLY H 1.800 . 4.690 3.477 3.477 3.477 . 0 0 "[ ]" 1
672 1 51 LYS H 1 82 VAL QG 1.800 . 5.720 3.278 3.278 3.278 . 0 0 "[ ]" 1
673 1 51 LYS H 1 83 HIS H 1.800 . 4.200 2.402 2.402 2.402 . 0 0 "[ ]" 1
674 1 51 LYS QG 1 83 HIS H 1.800 . 4.880 2.630 2.630 2.630 . 0 0 "[ ]" 1
675 1 51 LYS QG 1 83 HIS HB2 1.800 . 3.850 1.848 1.848 1.848 . 0 0 "[ ]" 1
676 1 51 LYS QG 1 83 HIS HB3 1.800 . 4.030 3.304 3.304 3.304 . 0 0 "[ ]" 1
677 1 51 LYS QB 1 83 HIS HD2 1.800 . 4.020 3.473 3.473 3.473 . 0 0 "[ ]" 1
678 1 51 LYS QG 1 83 HIS HD2 1.800 . 4.600 3.695 3.695 3.695 . 0 0 "[ ]" 1
679 1 51 LYS QD 1 83 HIS HD2 1.800 . 4.750 3.017 3.017 3.017 . 0 0 "[ ]" 1
680 1 51 LYS H 1 84 ASP HA 1.800 . 4.050 4.117 4.117 4.117 0.067 1 0 "[ ]" 1
681 1 51 LYS H 1 85 ILE H 1.800 . 4.950 4.499 4.499 4.499 . 0 0 "[ ]" 1
682 1 51 LYS HA 1 85 ILE MD 1.800 . 4.350 3.629 3.629 3.629 . 0 0 "[ ]" 1
683 1 51 LYS QB 1 85 ILE MD 1.800 . 5.000 3.551 3.551 3.551 . 0 0 "[ ]" 1
684 1 51 LYS QB 1 85 ILE MG 1.800 . 4.980 3.241 3.241 3.241 . 0 0 "[ ]" 1
685 1 52 LEU H 1 52 LEU HB2 1.800 . 3.370 2.697 2.697 2.697 . 0 0 "[ ]" 1
686 1 52 LEU H 1 52 LEU HB3 1.800 . 3.750 3.792 3.792 3.792 0.042 1 0 "[ ]" 1
687 1 52 LEU H 1 52 LEU HG 1.800 . 3.510 2.546 2.546 2.546 . 0 0 "[ ]" 1
688 1 52 LEU H 1 52 LEU QD 1.800 . 5.100 3.307 3.307 3.307 . 0 0 "[ ]" 1
689 1 52 LEU HA 1 52 LEU HG 1.800 . 3.590 3.018 3.018 3.018 . 0 0 "[ ]" 1
690 1 52 LEU HA 1 52 LEU QD 1.800 . 3.680 2.039 2.039 2.039 . 0 0 "[ ]" 1
691 1 52 LEU HB2 1 52 LEU QD 1.800 . 3.920 2.149 2.149 2.149 . 0 0 "[ ]" 1
692 1 52 LEU HB3 1 52 LEU QD 1.800 . 4.250 2.120 2.120 2.120 . 0 0 "[ ]" 1
693 1 52 LEU QD 1 52 LEU HG 1.800 . 3.940 1.913 1.913 1.913 . 0 0 "[ ]" 1
694 1 52 LEU H 1 53 GLN H 1.800 . 4.570 4.437 4.437 4.437 . 0 0 "[ ]" 1
695 1 52 LEU HA 1 53 GLN H 1.800 . 2.950 2.227 2.227 2.227 . 0 0 "[ ]" 1
696 1 52 LEU HB3 1 53 GLN H 1.800 . 3.760 3.257 3.257 3.257 . 0 0 "[ ]" 1
697 1 52 LEU QD 1 53 GLN H 1.800 . 5.120 3.668 3.668 3.668 . 0 0 "[ ]" 1
698 1 52 LEU HB2 1 64 ILE HB 1.800 . 3.260 2.503 2.503 2.503 . 0 0 "[ ]" 1
699 1 52 LEU HB3 1 64 ILE HB 1.800 . 3.380 3.447 3.447 3.447 0.067 1 0 "[ ]" 1
700 1 52 LEU HB2 1 64 ILE MD 1.800 . 4.140 2.736 2.736 2.736 . 0 0 "[ ]" 1
701 1 52 LEU HB3 1 64 ILE MD 1.800 . 4.010 2.404 2.404 2.404 . 0 0 "[ ]" 1
702 1 52 LEU HA 1 80 ILE MG 1.800 . 3.930 2.905 2.905 2.905 . 0 0 "[ ]" 1
703 1 52 LEU HB3 1 80 ILE MG 1.800 . 3.810 1.994 1.994 1.994 . 0 0 "[ ]" 1
704 1 52 LEU HB2 1 80 ILE MG 1.800 . 4.270 3.346 3.346 3.346 . 0 0 "[ ]" 1
705 1 52 LEU H 1 82 VAL QG 1.800 . 6.040 4.497 4.497 4.497 . 0 0 "[ ]" 1
706 1 52 LEU QD 1 82 VAL H 1.800 . 5.990 4.172 4.172 4.172 . 0 0 "[ ]" 1
707 1 52 LEU HA 1 82 VAL HA 1.800 . 3.110 2.711 2.711 2.711 . 0 0 "[ ]" 1
708 1 52 LEU QD 1 82 VAL HA 1.800 . 3.990 2.269 2.269 2.269 . 0 0 "[ ]" 1
709 1 52 LEU HA 1 82 VAL QG 1.800 . 4.380 3.110 3.110 3.110 . 0 0 "[ ]" 1
710 1 52 LEU QD 1 82 VAL QG 1.800 . 4.920 1.633 1.633 1.633 0.167 1 0 "[ ]" 1
711 1 52 LEU HA 1 83 HIS H 1.800 . 3.940 4.009 4.009 4.009 0.069 1 0 "[ ]" 1
712 1 52 LEU QD 1 83 HIS H 1.800 . 5.410 3.735 3.735 3.735 . 0 0 "[ ]" 1
713 1 52 LEU HA 1 83 HIS HD2 1.800 . 4.280 4.319 4.319 4.319 0.039 1 0 "[ ]" 1
714 1 53 GLN H 1 53 GLN HB2 1.800 . 3.670 2.951 2.951 2.951 . 0 0 "[ ]" 1
715 1 53 GLN H 1 53 GLN QG 1.800 . 4.090 2.734 2.734 2.734 . 0 0 "[ ]" 1
716 1 53 GLN HA 1 53 GLN HB3 1.800 . 2.990 2.347 2.347 2.347 . 0 0 "[ ]" 1
717 1 53 GLN HA 1 53 GLN QG 1.800 . 3.800 2.589 2.589 2.589 . 0 0 "[ ]" 1
718 1 53 GLN HB2 1 53 GLN QE 1.800 . 4.910 2.162 2.162 2.162 . 0 0 "[ ]" 1
719 1 53 GLN H 1 54 THR H 1.800 . 5.010 4.476 4.476 4.476 . 0 0 "[ ]" 1
720 1 53 GLN HA 1 54 THR H 1.800 . 2.910 2.532 2.532 2.532 . 0 0 "[ ]" 1
721 1 53 GLN HB2 1 54 THR H 1.800 . 3.700 3.134 3.134 3.134 . 0 0 "[ ]" 1
722 1 53 GLN HB3 1 54 THR H 1.800 . 3.410 2.477 2.477 2.477 . 0 0 "[ ]" 1
723 1 53 GLN QG 1 54 THR H 1.800 . 4.620 4.139 4.139 4.139 . 0 0 "[ ]" 1
724 1 53 GLN HB3 1 61 GLY H 1.800 . 4.380 2.480 2.480 2.480 . 0 0 "[ ]" 1
725 1 53 GLN QE 1 61 GLY H 1.800 . 5.710 4.327 4.327 4.327 . 0 0 "[ ]" 1
726 1 53 GLN HA 1 63 GLU H 1.800 . 4.520 4.376 4.376 4.376 . 0 0 "[ ]" 1
727 1 53 GLN HA 1 63 GLU HA 1.800 . 2.720 1.867 1.867 1.867 . 0 0 "[ ]" 1
728 1 53 GLN HB3 1 63 GLU HA 1.800 . 2.870 2.573 2.573 2.573 . 0 0 "[ ]" 1
729 1 53 GLN QG 1 63 GLU HA 1.800 . 3.720 2.500 2.500 2.500 . 0 0 "[ ]" 1
730 1 53 GLN HA 1 64 ILE H 1.800 . 3.590 1.937 1.937 1.937 . 0 0 "[ ]" 1
731 1 53 GLN H 1 64 ILE MD 1.800 . 4.980 2.824 2.824 2.824 . 0 0 "[ ]" 1
732 1 53 GLN HA 1 64 ILE QG 1.800 . 3.730 3.302 3.302 3.302 . 0 0 "[ ]" 1
733 1 53 GLN HA 1 64 ILE MD 1.800 . 4.090 1.919 1.919 1.919 . 0 0 "[ ]" 1
734 1 53 GLN H 1 80 ILE MG 1.800 . 4.070 2.498 2.498 2.498 . 0 0 "[ ]" 1
735 1 53 GLN H 1 81 SER H 1.800 . 4.140 2.293 2.293 2.293 . 0 0 "[ ]" 1
736 1 53 GLN H 1 81 SER QB 1.800 . 5.020 3.126 3.126 3.126 . 0 0 "[ ]" 1
737 1 53 GLN HB2 1 81 SER H 1.800 . 4.540 3.546 3.546 3.546 . 0 0 "[ ]" 1
738 1 53 GLN QG 1 81 SER H 1.800 . 5.120 4.595 4.595 4.595 . 0 0 "[ ]" 1
739 1 53 GLN H 1 82 VAL HA 1.800 . 4.100 4.100 4.100 4.100 0.000 1 0 "[ ]" 1
740 1 53 GLN H 1 83 HIS H 1.800 . 5.480 5.396 5.396 5.396 . 0 0 "[ ]" 1
741 1 53 GLN QG 1 83 HIS HD2 1.800 . 3.900 3.492 3.492 3.492 . 0 0 "[ ]" 1
742 1 54 THR H 1 54 THR HB 1.800 . 3.510 3.472 3.472 3.472 . 0 0 "[ ]" 1
743 1 54 THR H 1 54 THR MG 1.800 . 4.010 3.162 3.162 3.162 . 0 0 "[ ]" 1
744 1 54 THR HA 1 54 THR HB 1.800 . 2.720 2.724 2.724 2.724 0.004 1 0 "[ ]" 1
745 1 54 THR HA 1 54 THR MG 1.800 . 3.310 2.037 2.037 2.037 . 0 0 "[ ]" 1
746 1 54 THR HA 1 55 LYS H 1.800 . 2.890 2.342 2.342 2.342 . 0 0 "[ ]" 1
747 1 54 THR HB 1 56 LEU HG 1.800 . 3.670 3.292 3.292 3.292 . 0 0 "[ ]" 1
748 1 54 THR H 1 62 GLU H 1.800 . 3.890 3.519 3.519 3.519 . 0 0 "[ ]" 1
749 1 54 THR MG 1 62 GLU H 1.800 . 4.750 3.866 3.866 3.866 . 0 0 "[ ]" 1
750 1 54 THR H 1 63 GLU HA 1.800 . 3.830 3.564 3.564 3.564 . 0 0 "[ ]" 1
751 1 54 THR H 1 64 ILE QG 1.800 . 4.200 3.765 3.765 3.765 . 0 0 "[ ]" 1
752 1 54 THR H 1 64 ILE MD 1.800 . 4.420 3.087 3.087 3.087 . 0 0 "[ ]" 1
753 1 54 THR HA 1 64 ILE MD 1.800 . 3.970 2.692 2.692 2.692 . 0 0 "[ ]" 1
754 1 54 THR MG 1 73 ILE HB 1.800 . 4.810 4.030 4.030 4.030 . 0 0 "[ ]" 1
755 1 54 THR MG 1 73 ILE QG 1.800 . 4.410 1.819 1.819 1.819 . 0 0 "[ ]" 1
756 1 54 THR MG 1 73 ILE MD 1.800 . 3.370 1.841 1.841 1.841 . 0 0 "[ ]" 1
757 1 54 THR HA 1 78 LEU QD 1.800 . 4.780 3.585 3.585 3.585 . 0 0 "[ ]" 1
758 1 54 THR HB 1 78 LEU HG 1.800 . 3.710 3.736 3.736 3.736 0.026 1 0 "[ ]" 1
759 1 54 THR HB 1 78 LEU QD 1.800 . 3.880 2.382 2.382 2.382 . 0 0 "[ ]" 1
760 1 54 THR MG 1 78 LEU QD 1.800 . 3.920 2.429 2.429 2.429 . 0 0 "[ ]" 1
761 1 54 THR HA 1 80 ILE HA 1.800 . 3.030 2.917 2.917 2.917 . 0 0 "[ ]" 1
762 1 54 THR HA 1 80 ILE MD 1.800 . 3.940 3.139 3.139 3.139 . 0 0 "[ ]" 1
763 1 54 THR MG 1 80 ILE MD 1.800 . 4.550 3.158 3.158 3.158 . 0 0 "[ ]" 1
764 1 54 THR HA 1 81 SER H 1.800 . 4.080 4.132 4.132 4.132 0.052 1 0 "[ ]" 1
765 1 55 LYS H 1 55 LYS HB2 1.800 . 3.450 2.213 2.213 2.213 . 0 0 "[ ]" 1
766 1 55 LYS H 1 55 LYS HB3 1.800 . 3.370 3.057 3.057 3.057 . 0 0 "[ ]" 1
767 1 55 LYS HA 1 55 LYS HB2 1.800 . 3.010 2.642 2.642 2.642 . 0 0 "[ ]" 1
768 1 55 LYS HA 1 55 LYS QG 1.800 . 3.320 2.111 2.111 2.111 . 0 0 "[ ]" 1
769 1 55 LYS HB3 1 55 LYS QD 1.800 . 3.360 2.048 2.048 2.048 . 0 0 "[ ]" 1
770 1 55 LYS QE 1 55 LYS QG 1.800 . 3.660 1.952 1.952 1.952 . 0 0 "[ ]" 1
771 1 55 LYS HA 1 55 LYS QD 1.800 . 4.240 3.014 3.014 3.014 . 0 0 "[ ]" 1
772 1 55 LYS QD 1 55 LYS QE 1.800 . 3.720 2.063 2.063 2.063 . 0 0 "[ ]" 1
773 1 55 LYS HB2 1 55 LYS QD 1.800 . 3.770 3.253 3.253 3.253 . 0 0 "[ ]" 1
774 1 55 LYS HA 1 56 LEU H 1.800 . 2.830 2.213 2.213 2.213 . 0 0 "[ ]" 1
775 1 55 LYS QG 1 56 LEU H 1.800 . 4.330 3.533 3.533 3.533 . 0 0 "[ ]" 1
776 1 56 LEU QB 1 58 ASP H 1.800 . 3.710 3.051 3.051 3.051 . 0 0 "[ ]" 1
777 1 55 LYS H 1 79 LYS H 1.800 . 4.990 5.048 5.048 5.048 0.058 1 0 "[ ]" 1
778 1 55 LYS H 1 80 ILE HA 1.800 . 3.640 2.070 2.070 2.070 . 0 0 "[ ]" 1
779 1 55 LYS H 1 80 ILE QG 1.800 . 4.630 4.143 4.143 4.143 . 0 0 "[ ]" 1
780 1 55 LYS H 1 80 ILE MD 1.800 . 5.170 4.023 4.023 4.023 . 0 0 "[ ]" 1
781 1 55 LYS H 1 81 SER H 1.800 . 4.770 2.703 2.703 2.703 . 0 0 "[ ]" 1
782 1 55 LYS HB2 1 81 SER H 1.800 . 4.210 3.168 3.168 3.168 . 0 0 "[ ]" 1
783 1 55 LYS QG 1 81 SER H 1.800 . 4.790 4.293 4.293 4.293 . 0 0 "[ ]" 1
784 1 55 LYS HB2 1 81 SER QB 1.800 . 4.060 3.568 3.568 3.568 . 0 0 "[ ]" 1
785 1 55 LYS QG 1 81 SER QB 1.800 . 4.400 3.288 3.288 3.288 . 0 0 "[ ]" 1
786 1 56 LEU H 1 56 LEU QB 1.800 . 3.510 2.313 2.313 2.313 . 0 0 "[ ]" 1
787 1 56 LEU H 1 56 LEU QD 1.800 . 4.790 3.225 3.225 3.225 . 0 0 "[ ]" 1
788 1 56 LEU HA 1 56 LEU QD 1.800 . 3.490 2.406 2.406 2.406 . 0 0 "[ ]" 1
789 1 56 LEU HA 1 56 LEU HG 1.800 . 3.660 2.525 2.525 2.525 . 0 0 "[ ]" 1
790 1 56 LEU QD 1 56 LEU HG 1.800 . 3.540 1.901 1.901 1.901 . 0 0 "[ ]" 1
791 1 56 LEU QB 1 56 LEU QD 1.800 . 3.610 1.812 1.812 1.812 . 0 0 "[ ]" 1
792 1 56 LEU QB 1 57 PHE QD 1.800 . 5.740 2.360 2.360 2.360 . 0 0 "[ ]" 1
793 1 56 LEU QD 1 58 ASP H 1.800 . 5.830 4.227 4.227 4.227 . 0 0 "[ ]" 1
794 1 56 LEU QB 1 59 GLY H 1.800 . 4.650 3.492 3.492 3.492 . 0 0 "[ ]" 1
795 1 56 LEU QD 1 59 GLY H 1.800 . 6.050 4.400 4.400 4.400 . 0 0 "[ ]" 1
796 1 56 LEU QB 1 60 SER H 1.800 . 4.370 3.900 3.900 3.900 . 0 0 "[ ]" 1
797 1 56 LEU QD 1 60 SER H 1.800 . 5.270 3.907 3.907 3.907 . 0 0 "[ ]" 1
798 1 56 LEU H 1 61 GLY QA 1.800 . 4.670 3.978 3.978 3.978 . 0 0 "[ ]" 1
799 1 56 LEU HG 1 61 GLY H 1.800 . 4.040 4.043 4.043 4.043 0.003 1 0 "[ ]" 1
800 1 56 LEU HG 1 61 GLY QA 1.800 . 3.920 2.564 2.564 2.564 . 0 0 "[ ]" 1
801 1 56 LEU QD 1 61 GLY QA 1.800 . 4.250 1.763 1.763 1.763 0.037 1 0 "[ ]" 1
802 1 56 LEU HG 1 62 GLU H 1.800 . 4.680 4.449 4.449 4.449 . 0 0 "[ ]" 1
803 1 56 LEU QD 1 62 GLU H 1.800 . 5.430 3.148 3.148 3.148 . 0 0 "[ ]" 1
804 1 57 PHE HA 1 57 PHE QD 1.800 . 4.390 3.674 3.674 3.674 . 0 0 "[ ]" 1
805 1 57 PHE HA 1 58 ASP H 1.800 . 3.600 3.548 3.548 3.548 . 0 0 "[ ]" 1
806 1 57 PHE QB 1 58 ASP H 1.800 . 3.990 3.421 3.421 3.421 . 0 0 "[ ]" 1
807 1 57 PHE QD 1 58 ASP HB3 1.800 . 4.550 3.390 3.390 3.390 . 0 0 "[ ]" 1
808 1 58 ASP H 1 58 ASP HB2 1.800 . 3.810 3.635 3.635 3.635 . 0 0 "[ ]" 1
809 1 58 ASP H 1 58 ASP HB3 1.800 . 3.410 2.537 2.537 2.537 . 0 0 "[ ]" 1
810 1 58 ASP HA 1 58 ASP HB2 1.800 . 2.690 2.411 2.411 2.411 . 0 0 "[ ]" 1
811 1 58 ASP HA 1 58 ASP HB3 1.800 . 2.720 2.531 2.531 2.531 . 0 0 "[ ]" 1
812 1 58 ASP H 1 59 GLY H 1.800 . 3.840 2.546 2.546 2.546 . 0 0 "[ ]" 1
813 1 58 ASP HA 1 59 GLY H 1.800 . 3.600 3.567 3.567 3.567 . 0 0 "[ ]" 1
814 1 58 ASP HB2 1 59 GLY H 1.800 . 4.340 3.758 3.758 3.758 . 0 0 "[ ]" 1
815 1 58 ASP HB3 1 59 GLY H 1.800 . 4.450 3.786 3.786 3.786 . 0 0 "[ ]" 1
816 1 59 GLY H 1 60 SER H 1.800 . 4.040 2.314 2.314 2.314 . 0 0 "[ ]" 1
817 1 59 GLY QA 1 60 SER H 1.800 . 3.550 2.599 2.599 2.599 . 0 0 "[ ]" 1
818 1 60 SER HA 1 60 SER HB2 1.800 . 2.620 2.623 2.623 2.623 0.003 1 0 "[ ]" 1
819 1 60 SER HA 1 60 SER HB3 1.800 . 2.760 2.342 2.342 2.342 . 0 0 "[ ]" 1
820 1 60 SER HA 1 61 GLY H 1.800 . 2.920 2.567 2.567 2.567 . 0 0 "[ ]" 1
821 1 60 SER HB2 1 61 GLY H 1.800 . 3.320 2.222 2.222 2.222 . 0 0 "[ ]" 1
822 1 60 SER HB3 1 61 GLY H 1.800 . 3.620 3.468 3.468 3.468 . 0 0 "[ ]" 1
823 1 60 SER HB3 1 83 HIS HD2 1.800 . 4.330 4.350 4.350 4.350 0.020 1 0 "[ ]" 1
824 1 61 GLY QA 1 62 GLU H 1.800 . 3.200 2.213 2.213 2.213 . 0 0 "[ ]" 1
825 1 62 GLU H 1 62 GLU QB 1.800 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
826 1 62 GLU H 1 62 GLU QG 1.800 . 3.950 2.563 2.563 2.563 . 0 0 "[ ]" 1
827 1 62 GLU HA 1 62 GLU QG 1.800 . 3.240 2.241 2.241 2.241 . 0 0 "[ ]" 1
828 1 62 GLU QB 1 62 GLU QG 1.800 . 3.020 2.105 2.105 2.105 . 0 0 "[ ]" 1
829 1 62 GLU H 1 63 GLU H 1.800 . 4.770 4.521 4.521 4.521 . 0 0 "[ ]" 1
830 1 62 GLU HA 1 63 GLU H 1.800 . 2.810 2.190 2.190 2.190 . 0 0 "[ ]" 1
831 1 62 GLU QG 1 69 GLN QE 1.800 . 5.550 3.687 3.687 3.687 . 0 0 "[ ]" 1
832 1 63 GLU H 1 63 GLU HB2 1.800 . 3.330 2.762 2.762 2.762 . 0 0 "[ ]" 1
833 1 63 GLU H 1 63 GLU HB3 1.800 . 3.130 2.390 2.390 2.390 . 0 0 "[ ]" 1
834 1 63 GLU H 1 63 GLU QG 1.800 . 4.720 3.940 3.940 3.940 . 0 0 "[ ]" 1
835 1 63 GLU HA 1 63 GLU HB2 1.800 . 3.110 2.408 2.408 2.408 . 0 0 "[ ]" 1
836 1 63 GLU HA 1 63 GLU QG 1.800 . 3.620 2.415 2.415 2.415 . 0 0 "[ ]" 1
837 1 63 GLU HA 1 64 ILE H 1.800 . 3.030 2.298 2.298 2.298 . 0 0 "[ ]" 1
838 1 63 GLU QG 1 64 ILE H 1.800 . 4.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
839 1 63 GLU QG 1 65 LYS QB 1.800 . 4.360 3.416 3.416 3.416 . 0 0 "[ ]" 1
840 1 63 GLU QG 1 65 LYS QG 1.800 . 4.640 1.872 1.872 1.872 . 0 0 "[ ]" 1
841 1 63 GLU QG 1 65 LYS QE 1.800 . 4.310 2.935 2.935 2.935 . 0 0 "[ ]" 1
842 1 64 ILE H 1 64 ILE HB 1.800 . 3.300 2.825 2.825 2.825 . 0 0 "[ ]" 1
843 1 64 ILE H 1 64 ILE QG 1.800 . 3.940 2.044 2.044 2.044 . 0 0 "[ ]" 1
844 1 64 ILE HA 1 64 ILE MG 1.800 . 3.320 2.321 2.321 2.321 . 0 0 "[ ]" 1
845 1 64 ILE HA 1 64 ILE QG 1.800 . 3.680 2.449 2.449 2.449 . 0 0 "[ ]" 1
846 1 64 ILE H 1 65 LYS H 1.800 . 5.090 4.561 4.561 4.561 . 0 0 "[ ]" 1
847 1 64 ILE HA 1 65 LYS H 1.800 . 2.980 2.201 2.201 2.201 . 0 0 "[ ]" 1
848 1 64 ILE MG 1 65 LYS H 1.800 . 4.270 2.712 2.712 2.712 . 0 0 "[ ]" 1
849 1 64 ILE MG 1 65 LYS HA 1.800 . 4.370 3.650 3.650 3.650 . 0 0 "[ ]" 1
850 1 64 ILE HA 1 66 THR H 1.800 . 3.560 3.575 3.575 3.575 0.015 1 0 "[ ]" 1
851 1 64 ILE MG 1 66 THR H 1.800 . 4.290 2.628 2.628 2.628 . 0 0 "[ ]" 1
852 1 64 ILE HA 1 69 GLN HB2 1.800 . 3.650 2.301 2.301 2.301 . 0 0 "[ ]" 1
853 1 64 ILE MG 1 69 GLN HA 1.800 . 4.360 3.674 3.674 3.674 . 0 0 "[ ]" 1
854 1 64 ILE MG 1 69 GLN HB2 1.800 . 3.490 1.756 1.756 1.756 0.044 1 0 "[ ]" 1
855 1 64 ILE HA 1 69 GLN QE 1.800 . 4.410 2.165 2.165 2.165 . 0 0 "[ ]" 1
856 1 64 ILE MG 1 70 VAL HA 1.800 . 3.850 2.444 2.444 2.444 . 0 0 "[ ]" 1
857 1 64 ILE MG 1 70 VAL QG 1.800 . 4.130 1.720 1.720 1.720 0.080 1 0 "[ ]" 1
858 1 64 ILE H 1 73 ILE MD 1.800 . 4.600 3.846 3.846 3.846 . 0 0 "[ ]" 1
859 1 64 ILE MD 1 80 ILE MG 1.800 . 3.940 2.006 2.006 2.006 . 0 0 "[ ]" 1
860 1 64 ILE QG 1 80 ILE MD 1.800 . 4.600 2.555 2.555 2.555 . 0 0 "[ ]" 1
861 1 64 ILE MD 1 81 SER H 1.800 . 4.860 3.558 3.558 3.558 . 0 0 "[ ]" 1
862 1 65 LYS H 1 65 LYS QB 1.800 . 3.890 2.667 2.667 2.667 . 0 0 "[ ]" 1
863 1 65 LYS H 1 65 LYS QG 1.800 . 4.270 3.720 3.720 3.720 . 0 0 "[ ]" 1
864 1 65 LYS HA 1 65 LYS QG 1.800 . 3.160 1.974 1.974 1.974 . 0 0 "[ ]" 1
865 1 65 LYS QB 1 65 LYS QG 1.800 . 3.510 2.061 2.061 2.061 . 0 0 "[ ]" 1
866 1 65 LYS QD 1 65 LYS QG 1.800 . 3.510 2.098 2.098 2.098 . 0 0 "[ ]" 1
867 1 65 LYS QE 1 65 LYS QG 1.800 . 4.430 2.137 2.137 2.137 . 0 0 "[ ]" 1
868 1 65 LYS HA 1 65 LYS QD 1.800 . 3.990 3.205 3.205 3.205 . 0 0 "[ ]" 1
869 1 65 LYS QD 1 65 LYS QE 1.800 . 2.810 2.104 2.104 2.104 . 0 0 "[ ]" 1
870 1 65 LYS H 1 66 THR H 1.800 . 3.240 1.865 1.865 1.865 . 0 0 "[ ]" 1
871 1 65 LYS QB 1 66 THR H 1.800 . 4.150 3.596 3.596 3.596 . 0 0 "[ ]" 1
872 1 65 LYS H 1 66 THR MG 1.800 . 4.610 3.857 3.857 3.857 . 0 0 "[ ]" 1
873 1 65 LYS QB 1 66 THR MG 1.800 . 4.000 2.898 2.898 2.898 . 0 0 "[ ]" 1
874 1 65 LYS H 1 69 GLN QG 1.800 . 4.500 1.874 1.874 1.874 . 0 0 "[ ]" 1
875 1 65 LYS H 1 69 GLN QE 1.800 . 5.310 2.126 2.126 2.126 . 0 0 "[ ]" 1
876 1 66 THR H 1 66 THR HB 1.800 . 4.360 3.872 3.872 3.872 . 0 0 "[ ]" 1
877 1 66 THR HA 1 66 THR HB 1.800 . 2.810 2.578 2.578 2.578 . 0 0 "[ ]" 1
878 1 66 THR HA 1 66 THR MG 1.800 . 3.210 2.202 2.202 2.202 . 0 0 "[ ]" 1
879 1 66 THR H 1 67 ASP H 1.800 . 5.430 4.367 4.367 4.367 . 0 0 "[ ]" 1
880 1 66 THR HA 1 67 ASP H 1.800 . 2.740 2.278 2.278 2.278 . 0 0 "[ ]" 1
881 1 66 THR HB 1 67 ASP H 1.800 . 3.290 2.846 2.846 2.846 . 0 0 "[ ]" 1
882 1 66 THR MG 1 67 ASP H 1.800 . 4.250 3.575 3.575 3.575 . 0 0 "[ ]" 1
883 1 66 THR HB 1 68 SER H 1.800 . 3.990 2.446 2.446 2.446 . 0 0 "[ ]" 1
884 1 66 THR HB 1 68 SER QB 1.800 . 4.160 3.274 3.274 3.274 . 0 0 "[ ]" 1
885 1 66 THR HB 1 69 GLN H 1.800 . 4.430 3.455 3.455 3.455 . 0 0 "[ ]" 1
886 1 66 THR H 1 69 GLN HB3 1.800 . 4.130 3.931 3.931 3.931 . 0 0 "[ ]" 1
887 1 66 THR H 1 69 GLN QG 1.800 . 3.830 2.056 2.056 2.056 . 0 0 "[ ]" 1
888 1 66 THR MG 1 69 GLN QG 1.800 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
889 1 66 THR H 1 70 VAL QG 1.800 . 4.290 3.185 3.185 3.185 . 0 0 "[ ]" 1
890 1 67 ASP H 1 67 ASP HB2 1.800 . 3.330 2.833 2.833 2.833 . 0 0 "[ ]" 1
891 1 67 ASP H 1 67 ASP HB3 1.800 . 3.620 3.589 3.589 3.589 . 0 0 "[ ]" 1
892 1 67 ASP HA 1 67 ASP HB3 1.800 . 2.940 2.379 2.379 2.379 . 0 0 "[ ]" 1
893 1 67 ASP H 1 68 SER H 1.800 . 4.710 2.832 2.832 2.832 . 0 0 "[ ]" 1
894 1 67 ASP HB2 1 68 SER H 1.800 . 4.100 3.040 3.040 3.040 . 0 0 "[ ]" 1
895 1 67 ASP HB3 1 68 SER H 1.800 . 4.470 4.156 4.156 4.156 . 0 0 "[ ]" 1
896 1 67 ASP H 1 68 SER QB 1.800 . 5.150 4.589 4.589 4.589 . 0 0 "[ ]" 1
897 1 67 ASP HA 1 70 VAL H 1.800 . 3.760 3.635 3.635 3.635 . 0 0 "[ ]" 1
898 1 67 ASP HA 1 70 VAL HB 1.800 . 3.120 3.127 3.127 3.127 0.007 1 0 "[ ]" 1
899 1 67 ASP HA 1 70 VAL QG 1.800 . 4.230 2.571 2.571 2.571 . 0 0 "[ ]" 1
900 1 68 SER H 1 69 GLN H 1.800 . 4.680 2.497 2.497 2.497 . 0 0 "[ ]" 1
901 1 68 SER HA 1 71 SER QB 1.800 . 2.960 2.688 2.688 2.688 . 0 0 "[ ]" 1
902 1 69 GLN H 1 69 GLN HB3 1.800 . 3.590 3.618 3.618 3.618 0.028 1 0 "[ ]" 1
903 1 69 GLN H 1 69 GLN QG 1.800 . 3.340 1.822 1.822 1.822 . 0 0 "[ ]" 1
904 1 69 GLN HA 1 69 GLN HB2 1.800 . 2.980 3.010 3.010 3.010 0.030 1 0 "[ ]" 1
905 1 69 GLN HA 1 69 GLN HB3 1.800 . 3.040 2.359 2.359 2.359 . 0 0 "[ ]" 1
906 1 69 GLN HA 1 69 GLN QG 1.800 . 3.590 2.674 2.674 2.674 . 0 0 "[ ]" 1
907 1 69 GLN HB3 1 69 GLN QE 1.800 . 4.850 2.708 2.708 2.708 . 0 0 "[ ]" 1
908 1 69 GLN HA 1 70 VAL H 1.800 . 3.810 3.533 3.533 3.533 . 0 0 "[ ]" 1
909 1 69 GLN H 1 70 VAL QG 1.800 . 5.070 3.743 3.743 3.743 . 0 0 "[ ]" 1
910 1 69 GLN HB3 1 70 VAL H 1.800 . 3.950 3.903 3.903 3.903 . 0 0 "[ ]" 1
911 1 69 GLN HA 1 72 ASN H 1.800 . 3.570 3.571 3.571 3.571 0.001 1 0 "[ ]" 1
912 1 69 GLN HA 1 72 ASN QB 1.800 . 3.390 2.332 2.332 2.332 . 0 0 "[ ]" 1
913 1 69 GLN HA 1 73 ILE H 1.800 . 4.360 4.152 4.152 4.152 . 0 0 "[ ]" 1
914 1 69 GLN HB2 1 73 ILE MD 1.800 . 4.210 3.578 3.578 3.578 . 0 0 "[ ]" 1
915 1 70 VAL H 1 70 VAL HB 1.800 . 2.940 2.728 2.728 2.728 . 0 0 "[ ]" 1
916 1 70 VAL H 1 70 VAL QG 1.800 . 3.860 1.833 1.833 1.833 . 0 0 "[ ]" 1
917 1 70 VAL HA 1 70 VAL QG 1.800 . 3.620 2.023 2.023 2.023 . 0 0 "[ ]" 1
918 1 70 VAL HB 1 70 VAL QG 1.800 . 3.400 1.882 1.882 1.882 . 0 0 "[ ]" 1
919 1 70 VAL H 1 71 SER H 1.800 . 3.610 2.652 2.652 2.652 . 0 0 "[ ]" 1
920 1 70 VAL HA 1 71 SER H 1.800 . 3.820 3.581 3.581 3.581 . 0 0 "[ ]" 1
921 1 70 VAL HB 1 71 SER H 1.800 . 3.090 2.325 2.325 2.325 . 0 0 "[ ]" 1
922 1 70 VAL QG 1 71 SER H 1.800 . 4.630 3.173 3.173 3.173 . 0 0 "[ ]" 1
923 1 70 VAL HA 1 72 ASN H 1.800 . 4.680 3.737 3.737 3.737 . 0 0 "[ ]" 1
924 1 70 VAL HB 1 72 ASN H 1.800 . 4.350 4.426 4.426 4.426 0.076 1 0 "[ ]" 1
925 1 70 VAL HA 1 73 ILE H 1.800 . 3.940 3.170 3.170 3.170 . 0 0 "[ ]" 1
926 1 70 VAL HA 1 73 ILE HB 1.800 . 2.430 2.462 2.462 2.462 0.032 1 0 "[ ]" 1
927 1 70 VAL HA 1 73 ILE QG 1.800 . 4.760 4.279 4.279 4.279 . 0 0 "[ ]" 1
928 1 70 VAL HA 1 73 ILE MD 1.800 . 3.520 2.485 2.485 2.485 . 0 0 "[ ]" 1
929 1 70 VAL HA 1 74 ILE H 1.800 . 4.450 4.283 4.283 4.283 . 0 0 "[ ]" 1
930 1 70 VAL QG 1 74 ILE QG 1.800 . 4.810 2.713 2.713 2.713 . 0 0 "[ ]" 1
931 1 71 SER H 1 71 SER HA 1.800 . 3.100 2.856 2.856 2.856 . 0 0 "[ ]" 1
932 1 71 SER H 1 71 SER QB 1.800 . 3.140 2.657 2.657 2.657 . 0 0 "[ ]" 1
933 1 71 SER H 1 72 ASN H 1.800 . 3.240 2.572 2.572 2.572 . 0 0 "[ ]" 1
934 1 71 SER QB 1 72 ASN H 1.800 . 3.560 3.072 3.072 3.072 . 0 0 "[ ]" 1
935 1 71 SER H 1 72 ASN QB 1.800 . 4.720 4.291 4.291 4.291 . 0 0 "[ ]" 1
936 1 71 SER HA 1 73 ILE H 1.800 . 4.590 4.475 4.475 4.475 . 0 0 "[ ]" 1
937 1 71 SER HA 1 74 ILE H 1.800 . 4.120 3.254 3.254 3.254 . 0 0 "[ ]" 1
938 1 71 SER H 1 74 ILE HB 1.800 . 4.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
939 1 71 SER HA 1 74 ILE HB 1.800 . 3.150 1.833 1.833 1.833 . 0 0 "[ ]" 1
940 1 71 SER HA 1 74 ILE MD 1.800 . 3.620 1.974 1.974 1.974 . 0 0 "[ ]" 1
941 1 71 SER QB 1 74 ILE HB 1.800 . 4.250 3.444 3.444 3.444 . 0 0 "[ ]" 1
942 1 71 SER QB 1 74 ILE MG 1.800 . 4.880 3.680 3.680 3.680 . 0 0 "[ ]" 1
943 1 71 SER QB 1 74 ILE MD 1.800 . 4.480 3.338 3.338 3.338 . 0 0 "[ ]" 1
944 1 71 SER HA 1 75 GLN H 1.800 . 4.230 4.052 4.052 4.052 . 0 0 "[ ]" 1
945 1 72 ASN H 1 72 ASN QB 1.800 . 3.330 2.170 2.170 2.170 . 0 0 "[ ]" 1
946 1 72 ASN H 1 73 ILE H 1.800 . 3.360 2.319 2.319 2.319 . 0 0 "[ ]" 1
947 1 72 ASN HA 1 73 ILE H 1.800 . 3.920 3.534 3.534 3.534 . 0 0 "[ ]" 1
948 1 72 ASN H 1 73 ILE HB 1.800 . 4.270 4.124 4.124 4.124 . 0 0 "[ ]" 1
949 1 72 ASN QB 1 73 ILE H 1.800 . 3.860 2.598 2.598 2.598 . 0 0 "[ ]" 1
950 1 72 ASN H 1 74 ILE HB 1.800 . 4.230 3.963 3.963 3.963 . 0 0 "[ ]" 1
951 1 72 ASN H 1 74 ILE QG 1.800 . 4.940 4.481 4.481 4.481 . 0 0 "[ ]" 1
952 1 72 ASN HA 1 75 GLN H 1.800 . 3.700 3.026 3.026 3.026 . 0 0 "[ ]" 1
953 1 72 ASN HA 1 75 GLN QB 1.800 . 3.020 2.750 2.750 2.750 . 0 0 "[ ]" 1
954 1 72 ASN HA 1 76 ALA H 1.800 . 3.980 4.056 4.056 4.056 0.076 1 0 "[ ]" 1
955 1 72 ASN QD 1 76 ALA MB 1.800 . 6.280 3.234 3.234 3.234 . 0 0 "[ ]" 1
956 1 72 ASN QD 1 78 LEU QD 1.800 . 6.200 3.509 3.509 3.509 . 0 0 "[ ]" 1
957 1 73 ILE H 1 73 ILE HB 1.800 . 3.070 2.167 2.167 2.167 . 0 0 "[ ]" 1
958 1 73 ILE H 1 73 ILE QG 1.800 . 3.570 3.237 3.237 3.237 . 0 0 "[ ]" 1
959 1 73 ILE HA 1 73 ILE QG 1.800 . 3.470 2.022 2.022 2.022 . 0 0 "[ ]" 1
960 1 73 ILE HA 1 73 ILE MD 1.800 . 3.790 3.219 3.219 3.219 . 0 0 "[ ]" 1
961 1 73 ILE HB 1 73 ILE MD 1.800 . 3.310 1.994 1.994 1.994 . 0 0 "[ ]" 1
962 1 73 ILE H 1 74 ILE H 1.800 . 3.670 2.374 2.374 2.374 . 0 0 "[ ]" 1
963 1 73 ILE HB 1 74 ILE H 1.800 . 3.370 3.214 3.214 3.214 . 0 0 "[ ]" 1
964 1 73 ILE QG 1 74 ILE H 1.800 . 5.010 4.537 4.537 4.537 . 0 0 "[ ]" 1
965 1 73 ILE HA 1 76 ALA H 1.800 . 3.580 3.475 3.475 3.475 . 0 0 "[ ]" 1
966 1 73 ILE HA 1 76 ALA MB 1.800 . 3.600 3.010 3.010 3.010 . 0 0 "[ ]" 1
967 1 73 ILE HB 1 78 LEU H 1.800 . 4.510 4.519 4.519 4.519 0.009 1 0 "[ ]" 1
968 1 73 ILE HA 1 78 LEU QB 1.800 . 3.280 2.314 2.314 2.314 . 0 0 "[ ]" 1
969 1 73 ILE HB 1 78 LEU QB 1.800 . 4.340 3.843 3.843 3.843 . 0 0 "[ ]" 1
970 1 73 ILE HA 1 78 LEU QD 1.800 . 3.790 2.826 2.826 2.826 . 0 0 "[ ]" 1
971 1 73 ILE HB 1 80 ILE MD 1.800 . 4.230 2.993 2.993 2.993 . 0 0 "[ ]" 1
972 1 73 ILE MG 1 80 ILE MD 1.800 . 3.440 1.795 1.795 1.795 0.005 1 0 "[ ]" 1
973 1 73 ILE QG 1 80 ILE MD 1.800 . 3.720 2.364 2.364 2.364 . 0 0 "[ ]" 1
974 1 74 ILE H 1 74 ILE HB 1.800 . 2.800 2.162 2.162 2.162 . 0 0 "[ ]" 1
975 1 74 ILE H 1 74 ILE QG 1.800 . 3.530 2.787 2.787 2.787 . 0 0 "[ ]" 1
976 1 74 ILE HA 1 74 ILE QG 1.800 . 3.270 2.171 2.171 2.171 . 0 0 "[ ]" 1
977 1 74 ILE HB 1 74 ILE MD 1.800 . 3.150 2.475 2.475 2.475 . 0 0 "[ ]" 1
978 1 74 ILE H 1 75 GLN H 1.800 . 3.820 2.364 2.364 2.364 . 0 0 "[ ]" 1
979 1 74 ILE HA 1 75 GLN H 1.800 . 3.750 3.551 3.551 3.551 . 0 0 "[ ]" 1
980 1 74 ILE HB 1 75 GLN H 1.800 . 3.140 2.607 2.607 2.607 . 0 0 "[ ]" 1
981 1 74 ILE MG 1 75 GLN H 1.800 . 4.050 2.892 2.892 2.892 . 0 0 "[ ]" 1
982 1 74 ILE MG 1 75 GLN HA 1.800 . 4.050 3.013 3.013 3.013 . 0 0 "[ ]" 1
983 1 74 ILE MG 1 75 GLN QB 1.800 . 4.870 3.631 3.631 3.631 . 0 0 "[ ]" 1
984 1 74 ILE MG 1 75 GLN QG 1.800 . 4.930 3.107 3.107 3.107 . 0 0 "[ ]" 1
985 1 74 ILE MG 1 75 GLN QE 1.800 . 6.180 4.121 4.121 4.121 . 0 0 "[ ]" 1
986 1 75 GLN H 1 75 GLN QB 1.800 . 3.130 2.072 2.072 2.072 . 0 0 "[ ]" 1
987 1 75 GLN H 1 75 GLN QG 1.800 . 3.950 3.462 3.462 3.462 . 0 0 "[ ]" 1
988 1 75 GLN HA 1 75 GLN QG 1.800 . 3.580 2.139 2.139 2.139 . 0 0 "[ ]" 1
989 1 75 GLN QB 1 75 GLN QG 1.800 . 3.050 2.105 2.105 2.105 . 0 0 "[ ]" 1
990 1 75 GLN H 1 76 ALA H 1.800 . 3.300 2.360 2.360 2.360 . 0 0 "[ ]" 1
991 1 75 GLN HA 1 76 ALA H 1.800 . 3.740 3.410 3.410 3.410 . 0 0 "[ ]" 1
992 1 75 GLN QB 1 76 ALA H 1.800 . 3.460 3.069 3.069 3.069 . 0 0 "[ ]" 1
993 1 75 GLN H 1 76 ALA MB 1.800 . 4.830 4.064 4.064 4.064 . 0 0 "[ ]" 1
994 1 75 GLN QG 1 76 ALA H 1.800 . 5.010 4.526 4.526 4.526 . 0 0 "[ ]" 1
995 1 75 GLN QB 1 76 ALA MB 1.800 . 4.670 3.487 3.487 3.487 . 0 0 "[ ]" 1
996 1 75 GLN HA 1 77 LYS H 1.800 . 4.170 4.100 4.100 4.100 . 0 0 "[ ]" 1
997 1 76 ALA H 1 76 ALA MB 1.800 . 3.390 2.414 2.414 2.414 . 0 0 "[ ]" 1
998 1 76 ALA HA 1 77 LYS H 1.800 . 3.670 3.308 3.308 3.308 . 0 0 "[ ]" 1
999 1 76 ALA HA 1 78 LEU QD 1.800 . 4.950 3.661 3.661 3.661 . 0 0 "[ ]" 1
1000 1 76 ALA MB 1 78 LEU QD 1.800 . 3.810 1.752 1.752 1.752 0.048 1 0 "[ ]" 1
1001 1 77 LYS H 1 77 LYS HA 1.800 . 2.780 2.356 2.356 2.356 . 0 0 "[ ]" 1
1002 1 77 LYS HA 1 77 LYS QG 1.800 . 3.240 2.213 2.213 2.213 . 0 0 "[ ]" 1
1003 1 77 LYS HA 1 77 LYS QD 1.800 . 4.220 3.562 3.562 3.562 . 0 0 "[ ]" 1
1004 1 77 LYS QB 1 77 LYS QG 1.800 . 3.360 2.079 2.079 2.079 . 0 0 "[ ]" 1
1005 1 77 LYS QB 1 77 LYS QD 1.800 . 4.160 2.445 2.445 2.445 . 0 0 "[ ]" 1
1006 1 77 LYS QD 1 77 LYS QG 1.800 . 3.510 1.990 1.990 1.990 . 0 0 "[ ]" 1
1007 1 77 LYS QD 1 77 LYS QE 1.800 . 3.760 2.067 2.067 2.067 . 0 0 "[ ]" 1
1008 1 77 LYS QB 1 77 LYS QE 1.800 . 4.090 1.829 1.829 1.829 . 0 0 "[ ]" 1
1009 1 77 LYS QE 1 77 LYS QG 1.800 . 3.300 2.468 2.468 2.468 . 0 0 "[ ]" 1
1010 1 77 LYS H 1 78 LEU H 1.800 . 3.650 3.379 3.379 3.379 . 0 0 "[ ]" 1
1011 1 77 LYS HA 1 78 LEU H 1.800 . 3.050 2.340 2.340 2.340 . 0 0 "[ ]" 1
1012 1 77 LYS QB 1 78 LEU H 1.800 . 4.650 4.027 4.027 4.027 . 0 0 "[ ]" 1
1013 1 77 LYS H 1 78 LEU QD 1.800 . 4.600 3.443 3.443 3.443 . 0 0 "[ ]" 1
1014 1 77 LYS QG 1 78 LEU H 1.800 . 4.020 3.619 3.619 3.619 . 0 0 "[ ]" 1
1015 1 78 LEU H 1 78 LEU QB 1.800 . 3.260 2.261 2.261 2.261 . 0 0 "[ ]" 1
1016 1 78 LEU H 1 78 LEU QD 1.800 . 4.160 2.621 2.621 2.621 . 0 0 "[ ]" 1
1017 1 78 LEU HA 1 78 LEU QD 1.800 . 3.290 1.751 1.751 1.751 0.049 1 0 "[ ]" 1
1018 1 78 LEU QB 1 78 LEU QD 1.800 . 3.560 1.982 1.982 1.982 . 0 0 "[ ]" 1
1019 1 78 LEU HA 1 78 LEU HG 1.800 . 3.530 3.559 3.559 3.559 0.029 1 0 "[ ]" 1
1020 1 78 LEU QD 1 78 LEU HG 1.800 . 3.270 1.912 1.912 1.912 . 0 0 "[ ]" 1
1021 1 78 LEU HA 1 79 LYS H 1.800 . 2.990 2.251 2.251 2.251 . 0 0 "[ ]" 1
1022 1 78 LEU QB 1 79 LYS H 1.800 . 3.510 3.158 3.158 3.158 . 0 0 "[ ]" 1
1023 1 78 LEU QD 1 79 LYS H 1.800 . 4.410 2.816 2.816 2.816 . 0 0 "[ ]" 1
1024 1 79 LYS HA 1 79 LYS QG 1.800 . 3.310 2.290 2.290 2.290 . 0 0 "[ ]" 1
1025 1 79 LYS HB3 1 80 ILE H 1.800 . 3.570 3.353 3.353 3.353 . 0 0 "[ ]" 1
1026 1 80 ILE H 1 80 ILE HA 1.800 . 2.960 2.969 2.969 2.969 0.009 1 0 "[ ]" 1
1027 1 80 ILE H 1 80 ILE HB 1.800 . 3.230 2.549 2.549 2.549 . 0 0 "[ ]" 1
1028 1 80 ILE H 1 80 ILE MG 1.800 . 4.580 3.818 3.818 3.818 . 0 0 "[ ]" 1
1029 1 80 ILE H 1 80 ILE QG 1.800 . 4.100 2.482 2.482 2.482 . 0 0 "[ ]" 1
1030 1 80 ILE H 1 80 ILE MD 1.800 . 4.900 4.049 4.049 4.049 . 0 0 "[ ]" 1
1031 1 80 ILE HA 1 80 ILE MG 1.800 . 3.590 2.267 2.267 2.267 . 0 0 "[ ]" 1
1032 1 80 ILE HA 1 80 ILE QG 1.800 . 3.540 2.502 2.502 2.502 . 0 0 "[ ]" 1
1033 1 80 ILE HA 1 80 ILE MD 1.800 . 3.710 2.699 2.699 2.699 . 0 0 "[ ]" 1
1034 1 80 ILE HB 1 80 ILE MD 1.800 . 3.810 3.032 3.032 3.032 . 0 0 "[ ]" 1
1035 1 80 ILE HA 1 81 SER H 1.800 . 2.970 2.270 2.270 2.270 . 0 0 "[ ]" 1
1036 1 80 ILE HB 1 81 SER H 1.800 . 4.240 3.895 3.895 3.895 . 0 0 "[ ]" 1
1037 1 80 ILE MG 1 81 SER H 1.800 . 3.900 2.227 2.227 2.227 . 0 0 "[ ]" 1
1038 1 80 ILE MD 1 81 SER H 1.800 . 5.070 3.826 3.826 3.826 . 0 0 "[ ]" 1
1039 1 81 SER H 1 82 VAL H 1.800 . 5.140 4.429 4.429 4.429 . 0 0 "[ ]" 1
1040 1 81 SER HA 1 82 VAL H 1.800 . 3.020 2.211 2.211 2.211 . 0 0 "[ ]" 1
1041 1 81 SER QB 1 82 VAL H 1.800 . 4.430 3.202 3.202 3.202 . 0 0 "[ ]" 1
1042 1 81 SER HA 1 82 VAL QG 1.800 . 4.470 3.178 3.178 3.178 . 0 0 "[ ]" 1
1043 1 82 VAL H 1 82 VAL HB 1.800 . 3.510 2.916 2.916 2.916 . 0 0 "[ ]" 1
1044 1 82 VAL H 1 82 VAL QG 1.800 . 4.330 2.221 2.221 2.221 . 0 0 "[ ]" 1
1045 1 82 VAL HA 1 82 VAL QG 1.800 . 3.670 1.953 1.953 1.953 . 0 0 "[ ]" 1
1046 1 82 VAL HB 1 82 VAL QG 1.800 . 3.630 1.893 1.893 1.893 . 0 0 "[ ]" 1
1047 1 82 VAL HA 1 83 HIS H 1.800 . 3.000 2.169 2.169 2.169 . 0 0 "[ ]" 1
1048 1 82 VAL HB 1 83 HIS H 1.800 . 4.500 3.926 3.926 3.926 . 0 0 "[ ]" 1
1049 1 82 VAL QG 1 83 HIS H 1.800 . 4.610 2.803 2.803 2.803 . 0 0 "[ ]" 1
1050 1 82 VAL HA 1 83 HIS HD2 1.800 . 3.890 3.725 3.725 3.725 . 0 0 "[ ]" 1
1051 1 83 HIS H 1 83 HIS HB2 1.800 . 3.430 2.620 2.620 2.620 . 0 0 "[ ]" 1
1052 1 83 HIS H 1 83 HIS HB3 1.800 . 3.820 3.776 3.776 3.776 . 0 0 "[ ]" 1
1053 1 83 HIS HA 1 83 HIS HB2 1.800 . 3.060 3.037 3.037 3.037 . 0 0 "[ ]" 1
1054 1 83 HIS HA 1 83 HIS HB3 1.800 . 2.930 2.470 2.470 2.470 . 0 0 "[ ]" 1
1055 1 83 HIS HA 1 83 HIS HD2 1.800 . 4.280 4.230 4.230 4.230 . 0 0 "[ ]" 1
1056 1 83 HIS HB2 1 83 HIS HD2 1.800 . 3.450 2.840 2.840 2.840 . 0 0 "[ ]" 1
1057 1 83 HIS HB3 1 83 HIS HD2 1.800 . 3.810 3.912 3.912 3.912 0.102 1 0 "[ ]" 1
1058 1 83 HIS HA 1 84 ASP H 1.800 . 2.840 2.398 2.398 2.398 . 0 0 "[ ]" 1
1059 1 83 HIS HB3 1 84 ASP H 1.800 . 3.640 2.638 2.638 2.638 . 0 0 "[ ]" 1
1060 1 83 HIS HB2 1 85 ILE MG 1.800 . 3.810 3.216 3.216 3.216 . 0 0 "[ ]" 1
1061 1 84 ASP H 1 84 ASP HB2 1.800 . 3.170 3.128 3.128 3.128 . 0 0 "[ ]" 1
1062 1 84 ASP H 1 84 ASP HB3 1.800 . 3.480 3.568 3.568 3.568 0.088 1 0 "[ ]" 1
1063 1 84 ASP HA 1 84 ASP HB3 1.800 . 2.920 2.259 2.259 2.259 . 0 0 "[ ]" 1
1064 1 84 ASP H 1 85 ILE H 1.800 . 4.840 4.524 4.524 4.524 . 0 0 "[ ]" 1
1065 1 84 ASP HA 1 85 ILE H 1.800 . 3.030 2.198 2.198 2.198 . 0 0 "[ ]" 1
1066 1 84 ASP HB2 1 85 ILE H 1.800 . 4.050 3.671 3.671 3.671 . 0 0 "[ ]" 1
1067 1 84 ASP HB3 1 85 ILE H 1.800 . 3.570 3.548 3.548 3.548 . 0 0 "[ ]" 1
1068 1 85 ILE H 1 85 ILE HB 1.800 . 3.740 3.759 3.759 3.759 0.019 1 0 "[ ]" 1
1069 1 85 ILE H 1 85 ILE QG 1.800 . 3.890 1.838 1.838 1.838 . 0 0 "[ ]" 1
1070 1 85 ILE HA 1 85 ILE HB 1.800 . 2.910 2.594 2.594 2.594 . 0 0 "[ ]" 1
1071 1 85 ILE HA 1 85 ILE MG 1.800 . 3.270 2.169 2.169 2.169 . 0 0 "[ ]" 1
1072 1 85 ILE HA 1 85 ILE QG 1.800 . 3.810 3.266 3.266 3.266 . 0 0 "[ ]" 1
1073 1 85 ILE HB 1 85 ILE MD 1.800 . 3.370 1.928 1.928 1.928 . 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 42
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 0.265
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0148
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0295
_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 13 THR 0.035 0.035 1 0 "[ ]"
1 15 ILE 0.032 0.032 1 0 "[ ]"
1 16 LYS 0.005 0.005 1 0 "[ ]"
1 17 PHE 0.000 0.000 . 0 "[ ]"
1 18 TYR 0.000 0.000 . 0 "[ ]"
1 20 LYS 0.055 0.055 1 0 "[ ]"
1 24 PHE 0.000 0.000 . 0 "[ ]"
1 26 LEU 0.032 0.032 1 0 "[ ]"
1 28 LEU 0.035 0.035 1 0 "[ ]"
1 37 LEU 0.022 0.022 1 0 "[ ]"
1 41 ILE 0.022 0.022 1 0 "[ ]"
1 49 ASN 0.000 0.000 . 0 "[ ]"
1 51 LYS 0.000 0.000 . 0 "[ ]"
1 53 GLN 0.056 0.056 1 0 "[ ]"
1 55 LYS 0.000 0.000 . 0 "[ ]"
1 66 THR 0.032 0.032 1 0 "[ ]"
1 68 SER 0.024 0.024 1 0 "[ ]"
1 69 GLN 0.032 0.032 1 0 "[ ]"
1 70 VAL 0.000 0.000 . 0 "[ ]"
1 71 SER 0.004 0.004 1 0 "[ ]"
1 72 ASN 0.024 0.024 1 0 "[ ]"
1 74 ILE 0.000 0.000 . 0 "[ ]"
1 75 GLN 0.004 0.004 1 0 "[ ]"
1 76 ALA 0.000 0.000 . 0 "[ ]"
1 79 LYS 0.000 0.000 . 0 "[ ]"
1 80 ILE 0.005 0.005 1 0 "[ ]"
1 81 SER 0.056 0.056 1 0 "[ ]"
1 82 VAL 0.055 0.055 1 0 "[ ]"
1 83 HIS 0.000 0.000 . 0 "[ ]"
1 85 ILE 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 TYR H 1 80 ILE O 1.800 . 2.100 2.075 2.075 2.075 . 0 0 "[ ]" 2
2 1 18 TYR N 1 80 ILE O 2.800 2.300 3.300 2.531 2.531 2.531 . 0 0 "[ ]" 2
3 1 20 LYS H 1 82 VAL O 1.800 . 2.300 2.355 2.355 2.355 0.055 1 0 "[ ]" 2
4 1 20 LYS N 1 82 VAL O 2.800 2.300 3.300 3.244 3.244 3.244 . 0 0 "[ ]" 2
5 1 13 THR O 1 28 LEU H 1.800 . 2.300 2.335 2.335 2.335 0.035 1 0 "[ ]" 2
6 1 13 THR O 1 28 LEU N 2.800 2.300 3.300 3.243 3.243 3.243 . 0 0 "[ ]" 2
7 1 37 LEU O 1 41 ILE H 1.800 . 2.100 2.122 2.122 2.122 0.022 1 0 "[ ]" 2
8 1 37 LEU O 1 41 ILE N 2.800 2.300 3.300 2.832 2.832 2.832 . 0 0 "[ ]" 2
9 1 51 LYS H 1 83 HIS O 1.800 . 2.100 2.098 2.098 2.098 . 0 0 "[ ]" 2
10 1 51 LYS N 1 83 HIS O 2.800 2.300 3.300 2.999 2.999 2.999 . 0 0 "[ ]" 2
11 1 53 GLN H 1 81 SER O 1.800 . 2.100 2.156 2.156 2.156 0.056 1 0 "[ ]" 2
12 1 53 GLN N 1 81 SER O 2.800 2.300 3.300 3.024 3.024 3.024 . 0 0 "[ ]" 2
13 1 66 THR O 1 69 GLN H 1.800 . 2.100 2.132 2.132 2.132 0.032 1 0 "[ ]" 2
14 1 66 THR O 1 69 GLN N 2.800 2.300 3.300 2.716 2.716 2.716 . 0 0 "[ ]" 2
15 1 70 VAL O 1 74 ILE H 1.800 . 2.100 2.082 2.082 2.082 . 0 0 "[ ]" 2
16 1 70 VAL O 1 74 ILE N 2.800 2.300 3.300 2.714 2.714 2.714 . 0 0 "[ ]" 2
17 1 71 SER O 1 75 GLN H 1.800 . 2.100 2.104 2.104 2.104 0.004 1 0 "[ ]" 2
18 1 71 SER O 1 75 GLN N 2.800 2.300 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 2
19 1 72 ASN O 1 76 ALA H 1.800 . 2.100 2.050 2.050 2.050 . 0 0 "[ ]" 2
20 1 72 ASN O 1 76 ALA N 2.800 2.300 3.300 2.837 2.837 2.837 . 0 0 "[ ]" 2
21 1 16 LYS O 1 80 ILE H 1.800 . 2.100 2.105 2.105 2.105 0.005 1 0 "[ ]" 2
22 1 16 LYS O 1 80 ILE N 2.800 2.300 3.300 2.879 2.879 2.879 . 0 0 "[ ]" 2
23 1 18 TYR O 1 82 VAL H 1.800 . 2.100 2.098 2.098 2.098 . 0 0 "[ ]" 2
24 1 18 TYR O 1 82 VAL N 2.800 2.300 3.300 3.012 3.012 3.012 . 0 0 "[ ]" 2
25 1 13 THR H 1 28 LEU O 1.800 . 2.100 2.089 2.089 2.089 . 0 0 "[ ]" 2
26 1 13 THR N 1 28 LEU O 2.800 2.300 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 2
27 1 15 ILE H 1 26 LEU O 1.800 . 2.100 2.132 2.132 2.132 0.032 1 0 "[ ]" 2
28 1 15 ILE N 1 26 LEU O 2.800 2.300 3.300 3.092 3.092 3.092 . 0 0 "[ ]" 2
29 1 15 ILE O 1 26 LEU H 1.800 . 2.100 2.096 2.096 2.096 . 0 0 "[ ]" 2
30 1 15 ILE O 1 26 LEU N 2.800 2.300 3.300 2.996 2.996 2.996 . 0 0 "[ ]" 2
31 1 17 PHE H 1 24 PHE O 1.800 . 2.100 2.099 2.099 2.099 . 0 0 "[ ]" 2
32 1 17 PHE N 1 24 PHE O 2.800 2.300 3.300 2.855 2.855 2.855 . 0 0 "[ ]" 2
33 1 49 ASN O 1 85 ILE H 1.800 . 2.100 2.078 2.078 2.078 . 0 0 "[ ]" 2
34 1 49 ASN O 1 85 ILE N 2.800 2.300 3.300 3.032 3.032 3.032 . 0 0 "[ ]" 2
35 1 51 LYS O 1 83 HIS H 1.800 . 2.100 2.099 2.099 2.099 . 0 0 "[ ]" 2
36 1 51 LYS O 1 83 HIS N 2.800 2.300 3.300 3.019 3.019 3.019 . 0 0 "[ ]" 2
37 1 53 GLN O 1 81 SER H 1.800 . 2.100 2.066 2.066 2.066 . 0 0 "[ ]" 2
38 1 53 GLN O 1 81 SER N 2.800 2.300 3.300 2.979 2.979 2.979 . 0 0 "[ ]" 2
39 1 55 LYS H 1 79 LYS O 1.800 . 2.100 2.040 2.040 2.040 . 0 0 "[ ]" 2
40 1 55 LYS N 1 79 LYS O 2.800 2.300 3.300 2.409 2.409 2.409 . 0 0 "[ ]" 2
41 1 68 SER O 1 72 ASN H 1.800 . 2.100 2.124 2.124 2.124 0.024 1 0 "[ ]" 2
42 1 68 SER O 1 72 ASN N 2.800 2.300 3.300 2.774 2.774 2.774 . 0 0 "[ ]" 2
stop_
save_
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