Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
597214 | 2mzr RC | 25497 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzr
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 782
_Distance_constraint_stats_list.Viol_count 985
_Distance_constraint_stats_list.Viol_total 575.891
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0292
_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 4 ARG 0.189 0.056 5 0 "[ . 1 . 2]"
1 5 GLU 0.151 0.056 5 0 "[ . 1 . 2]"
1 6 LEU 0.041 0.041 7 0 "[ . 1 . 2]"
1 9 THR 0.539 0.064 3 0 "[ . 1 . 2]"
1 10 TYR 0.011 0.011 11 0 "[ . 1 . 2]"
1 11 GLU 0.031 0.016 4 0 "[ . 1 . 2]"
1 12 GLU 0.063 0.030 4 0 "[ . 1 . 2]"
1 13 LYS 0.046 0.030 4 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 1.574 0.062 5 0 "[ . 1 . 2]"
1 23 PHE 0.090 0.027 3 0 "[ . 1 . 2]"
1 24 VAL 0.757 0.079 6 0 "[ . 1 . 2]"
1 27 LEU 2.629 0.164 16 0 "[ . 1 . 2]"
1 28 THR 0.009 0.009 6 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 THR 0.027 0.017 10 0 "[ . 1 . 2]"
1 33 PRO 0.156 0.055 18 0 "[ . 1 . 2]"
1 34 GLU 0.173 0.031 4 0 "[ . 1 . 2]"
1 35 ASP 0.183 0.031 4 0 "[ . 1 . 2]"
1 36 LEU 1.085 0.156 12 0 "[ . 1 . 2]"
1 37 THR 0.451 0.049 16 0 "[ . 1 . 2]"
1 38 GLU 0.218 0.048 1 0 "[ . 1 . 2]"
1 39 PHE 0.607 0.048 1 0 "[ . 1 . 2]"
1 40 PHE 2.970 0.080 10 0 "[ . 1 . 2]"
1 41 SER 0.965 0.071 17 0 "[ . 1 . 2]"
1 42 GLN 1.338 0.102 15 0 "[ . 1 . 2]"
1 43 ILE 0.766 0.059 14 0 "[ . 1 . 2]"
1 44 GLY 0.009 0.006 6 0 "[ . 1 . 2]"
1 45 LYS 0.186 0.031 13 0 "[ . 1 . 2]"
1 46 VAL 2.314 0.085 12 0 "[ . 1 . 2]"
1 47 VAL 2.452 0.107 10 0 "[ . 1 . 2]"
1 48 ARG 1.022 0.102 7 0 "[ . 1 . 2]"
1 49 ALA 0.975 0.064 7 0 "[ . 1 . 2]"
1 50 ASP 0.051 0.036 18 0 "[ . 1 . 2]"
1 51 ILE 0.922 0.064 11 0 "[ . 1 . 2]"
1 52 ILE 0.048 0.014 18 0 "[ . 1 . 2]"
1 53 THR 0.320 0.064 11 0 "[ . 1 . 2]"
1 57 HIS 0.061 0.028 1 0 "[ . 1 . 2]"
1 61 MET 0.082 0.017 17 0 "[ . 1 . 2]"
1 62 GLY 0.017 0.012 13 0 "[ . 1 . 2]"
1 63 THR 0.787 0.062 5 0 "[ . 1 . 2]"
1 64 VAL 0.442 0.049 14 0 "[ . 1 . 2]"
1 65 GLU 0.223 0.032 15 0 "[ . 1 . 2]"
1 66 PHE 2.548 0.085 12 0 "[ . 1 . 2]"
1 67 THR 1.056 0.107 10 0 "[ . 1 . 2]"
1 68 ASN 1.252 0.097 14 0 "[ . 1 . 2]"
1 69 SER 0.355 0.055 16 0 "[ . 1 . 2]"
1 70 ASP 0.082 0.045 16 0 "[ . 1 . 2]"
1 71 ASP 0.185 0.032 20 0 "[ . 1 . 2]"
1 72 VAL 1.930 0.097 14 0 "[ . 1 . 2]"
1 73 ASP 0.528 0.084 1 0 "[ . 1 . 2]"
1 74 ARG 0.242 0.087 18 0 "[ . 1 . 2]"
1 75 ALA 0.490 0.045 5 0 "[ . 1 . 2]"
1 76 ILE 2.170 0.080 10 0 "[ . 1 . 2]"
1 77 ARG 0.329 0.053 13 0 "[ . 1 . 2]"
1 78 GLN 0.442 0.111 11 0 "[ . 1 . 2]"
1 79 TYR 1.156 0.050 1 0 "[ . 1 . 2]"
1 80 ASP 0.068 0.042 16 0 "[ . 1 . 2]"
1 81 GLY 1.612 0.089 19 0 "[ . 1 . 2]"
1 82 ALA 0.774 0.047 14 0 "[ . 1 . 2]"
1 83 PHE 1.919 0.089 19 0 "[ . 1 . 2]"
1 84 PHE 1.514 0.047 14 0 "[ . 1 . 2]"
1 85 MET 0.062 0.026 11 0 "[ . 1 . 2]"
1 86 ASP 0.043 0.015 16 0 "[ . 1 . 2]"
1 87 ARG 0.182 0.058 1 0 "[ . 1 . 2]"
1 88 LYS 1.909 0.101 1 0 "[ . 1 . 2]"
1 89 ILE 2.983 0.164 16 0 "[ . 1 . 2]"
1 90 PHE 0.465 0.066 19 0 "[ . 1 . 2]"
1 91 VAL 1.610 0.079 6 0 "[ . 1 . 2]"
1 92 ARG 0.051 0.027 3 0 "[ . 1 . 2]"
1 93 GLN 1.056 0.065 17 0 "[ . 1 . 2]"
1 94 ASP 0.080 0.025 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ARG H 1 4 ARG QB . . 3.320 2.802 2.181 3.332 0.012 19 0 "[ . 1 . 2]" 1
2 1 4 ARG H 1 4 ARG QG . . 5.040 3.339 2.318 4.523 . 0 0 "[ . 1 . 2]" 1
3 1 4 ARG HA 1 4 ARG QD . . 4.500 3.691 2.133 4.505 0.005 11 0 "[ . 1 . 2]" 1
4 1 4 ARG QB 1 4 ARG QD . . 3.270 2.361 2.136 2.965 . 0 0 "[ . 1 . 2]" 1
5 1 4 ARG QG 1 5 GLU H . . 4.390 3.726 1.846 4.446 0.056 5 0 "[ . 1 . 2]" 1
6 1 6 LEU H 1 6 LEU HG . . 4.370 3.277 2.029 4.411 0.041 7 0 "[ . 1 . 2]" 1
7 1 6 LEU HA 1 6 LEU QD . . 4.270 2.929 2.157 3.436 . 0 0 "[ . 1 . 2]" 1
8 1 9 THR HA 1 9 THR MG . . 3.160 2.758 2.321 3.224 0.064 3 0 "[ . 1 . 2]" 1
9 1 9 THR HB 1 10 TYR H . . 4.740 3.434 2.127 4.648 . 0 0 "[ . 1 . 2]" 1
10 1 10 TYR HA 1 10 TYR QD . . 4.350 3.047 2.440 3.778 . 0 0 "[ . 1 . 2]" 1
11 1 10 TYR QD 1 11 GLU H . . 4.580 3.621 2.951 4.591 0.011 11 0 "[ . 1 . 2]" 1
12 1 11 GLU H 1 11 GLU QG . . 5.100 3.328 2.099 4.291 . 0 0 "[ . 1 . 2]" 1
13 1 11 GLU HA 1 12 GLU H . . 3.380 2.409 2.169 3.396 0.016 4 0 "[ . 1 . 2]" 1
14 1 12 GLU H 1 12 GLU HG2 . . 5.110 4.008 2.131 5.118 0.008 2 0 "[ . 1 . 2]" 1
15 1 12 GLU H 1 12 GLU HG3 . . 5.110 4.094 2.884 4.886 . 0 0 "[ . 1 . 2]" 1
16 1 12 GLU HA 1 13 LYS H . . 3.290 2.383 2.113 3.320 0.030 4 0 "[ . 1 . 2]" 1
17 1 13 LYS H 1 13 LYS QB . . 3.550 2.713 2.124 3.372 . 0 0 "[ . 1 . 2]" 1
18 1 13 LYS QB 1 13 LYS QE . . 3.900 3.056 2.038 3.906 0.006 4 0 "[ . 1 . 2]" 1
19 1 14 VAL H 1 14 VAL MG1 . . 4.360 3.118 2.323 4.096 . 0 0 "[ . 1 . 2]" 1
20 1 14 VAL H 1 14 VAL QG . . 3.820 2.521 2.005 2.986 . 0 0 "[ . 1 . 2]" 1
21 1 14 VAL H 1 14 VAL MG2 . . 4.360 3.013 2.141 4.147 . 0 0 "[ . 1 . 2]" 1
22 1 14 VAL HA 1 14 VAL MG1 . . 3.400 2.622 2.290 3.283 . 0 0 "[ . 1 . 2]" 1
23 1 14 VAL HA 1 14 VAL MG2 . . 3.400 2.873 2.338 3.284 . 0 0 "[ . 1 . 2]" 1
24 1 14 VAL QG 1 15 ASN H . . 4.880 2.899 2.313 3.410 . 0 0 "[ . 1 . 2]" 1
25 1 15 ASN HA 1 15 ASN QD . . 4.510 3.676 2.694 4.268 . 0 0 "[ . 1 . 2]" 1
26 1 16 ARG HA 1 16 ARG QD . . 4.880 3.366 2.110 4.516 . 0 0 "[ . 1 . 2]" 1
27 1 21 SER HA 1 22 ILE QG . . 4.830 3.794 3.418 4.676 . 0 0 "[ . 1 . 2]" 1
28 1 21 SER HA 1 22 ILE MG . . 5.360 3.308 2.746 3.950 . 0 0 "[ . 1 . 2]" 1
29 1 21 SER HA 1 66 PHE H . . 4.430 3.349 2.860 4.138 . 0 0 "[ . 1 . 2]" 1
30 1 21 SER HB2 1 22 ILE H . . 5.500 3.442 2.256 4.024 . 0 0 "[ . 1 . 2]" 1
31 1 21 SER HB3 1 22 ILE H . . 5.500 3.261 2.188 4.043 . 0 0 "[ . 1 . 2]" 1
32 1 21 SER HG 1 65 GLU QG . . 5.610 3.376 2.482 4.477 . 0 0 "[ . 1 . 2]" 1
33 1 22 ILE H 1 22 ILE MD . . 5.390 4.168 3.869 4.414 . 0 0 "[ . 1 . 2]" 1
34 1 22 ILE H 1 22 ILE HG12 . . 4.350 2.853 2.462 3.719 . 0 0 "[ . 1 . 2]" 1
35 1 22 ILE H 1 22 ILE HG13 . . 4.350 2.938 2.441 3.829 . 0 0 "[ . 1 . 2]" 1
36 1 22 ILE H 1 22 ILE MG . . 4.060 2.998 2.370 3.225 . 0 0 "[ . 1 . 2]" 1
37 1 22 ILE H 1 64 VAL H . . 4.980 2.901 2.768 3.203 . 0 0 "[ . 1 . 2]" 1
38 1 22 ILE H 1 64 VAL QG . . 5.680 4.354 3.805 4.765 . 0 0 "[ . 1 . 2]" 1
39 1 22 ILE H 1 65 GLU HA . . 4.540 3.668 3.430 3.951 . 0 0 "[ . 1 . 2]" 1
40 1 22 ILE HA 1 93 GLN HA . . 4.390 3.413 2.334 4.429 0.039 9 0 "[ . 1 . 2]" 1
41 1 22 ILE HA 1 94 ASP H . . 4.470 3.506 2.426 4.495 0.025 3 0 "[ . 1 . 2]" 1
42 1 22 ILE HB 1 23 PHE H . . 4.240 2.783 2.615 3.041 . 0 0 "[ . 1 . 2]" 1
43 1 22 ILE HB 1 76 ILE MD . . 4.040 2.581 2.147 4.032 . 0 0 "[ . 1 . 2]" 1
44 1 22 ILE MD 1 22 ILE MG . . 3.490 2.229 2.067 2.615 . 0 0 "[ . 1 . 2]" 1
45 1 22 ILE MD 1 24 VAL HB . . 5.780 5.274 4.652 5.791 0.011 1 0 "[ . 1 . 2]" 1
46 1 22 ILE MD 1 24 VAL MG1 . . 4.630 4.253 3.143 4.642 0.012 4 0 "[ . 1 . 2]" 1
47 1 22 ILE MD 1 24 VAL QG . . 3.700 2.651 2.221 3.022 . 0 0 "[ . 1 . 2]" 1
48 1 22 ILE MD 1 24 VAL MG2 . . 4.630 2.777 2.229 3.870 . 0 0 "[ . 1 . 2]" 1
49 1 22 ILE MD 1 40 PHE QD . . 4.550 3.356 3.096 3.714 . 0 0 "[ . 1 . 2]" 1
50 1 22 ILE MD 1 40 PHE QE . . 6.000 2.714 2.552 2.886 . 0 0 "[ . 1 . 2]" 1
51 1 22 ILE MD 1 40 PHE HZ . . 4.720 2.684 2.501 2.822 . 0 0 "[ . 1 . 2]" 1
52 1 22 ILE MD 1 63 THR MG . . 5.230 5.267 5.245 5.292 0.062 5 0 "[ . 1 . 2]" 1
53 1 22 ILE MD 1 64 VAL H . . 5.900 3.965 3.756 4.176 . 0 0 "[ . 1 . 2]" 1
54 1 22 ILE MD 1 64 VAL HB . . 3.740 2.310 2.142 3.747 0.007 20 0 "[ . 1 . 2]" 1
55 1 22 ILE MD 1 64 VAL MG1 . . 4.350 3.220 2.804 4.212 . 0 0 "[ . 1 . 2]" 1
56 1 22 ILE MD 1 64 VAL QG . . 3.730 2.574 2.019 2.759 . 0 0 "[ . 1 . 2]" 1
57 1 22 ILE MD 1 64 VAL MG2 . . 4.350 2.756 2.023 3.040 . 0 0 "[ . 1 . 2]" 1
58 1 22 ILE MD 1 66 PHE QD . . 5.290 4.085 3.418 4.631 . 0 0 "[ . 1 . 2]" 1
59 1 22 ILE MD 1 66 PHE QE . . 3.630 2.652 2.231 3.309 . 0 0 "[ . 1 . 2]" 1
60 1 22 ILE MD 1 66 PHE HZ . . 4.330 3.794 3.462 4.334 0.004 20 0 "[ . 1 . 2]" 1
61 1 22 ILE MD 1 75 ALA MB . . 3.930 3.843 3.531 3.975 0.045 5 0 "[ . 1 . 2]" 1
62 1 22 ILE MD 1 76 ILE QG . . 5.270 2.849 2.538 3.433 . 0 0 "[ . 1 . 2]" 1
63 1 22 ILE MD 1 91 VAL MG1 . . 4.600 3.102 2.059 4.090 . 0 0 "[ . 1 . 2]" 1
64 1 22 ILE MD 1 91 VAL QG . . 3.320 2.214 2.030 2.493 . 0 0 "[ . 1 . 2]" 1
65 1 22 ILE MD 1 91 VAL MG2 . . 4.600 2.657 2.074 3.436 . 0 0 "[ . 1 . 2]" 1
66 1 22 ILE QG 1 22 ILE MG . . 3.070 2.221 2.129 2.469 . 0 0 "[ . 1 . 2]" 1
67 1 22 ILE QG 1 64 VAL QG . . 4.850 2.776 2.079 2.970 . 0 0 "[ . 1 . 2]" 1
68 1 22 ILE MG 1 23 PHE H . . 4.750 3.913 3.736 4.093 . 0 0 "[ . 1 . 2]" 1
69 1 22 ILE MG 1 40 PHE HZ . . 6.000 5.291 4.838 5.693 . 0 0 "[ . 1 . 2]" 1
70 1 22 ILE MG 1 64 VAL QG . . 4.680 4.263 3.354 4.549 . 0 0 "[ . 1 . 2]" 1
71 1 22 ILE MG 1 66 PHE QD . . 4.460 3.649 3.005 3.974 . 0 0 "[ . 1 . 2]" 1
72 1 22 ILE MG 1 66 PHE QE . . 3.750 3.666 3.311 3.790 0.040 12 0 "[ . 1 . 2]" 1
73 1 22 ILE MG 1 66 PHE HZ . . 4.800 4.814 4.790 4.829 0.029 14 0 "[ . 1 . 2]" 1
74 1 22 ILE MG 1 72 VAL HA . . 6.000 4.197 3.361 5.209 . 0 0 "[ . 1 . 2]" 1
75 1 23 PHE H 1 92 ARG H . . 4.830 3.715 3.034 4.857 0.027 3 0 "[ . 1 . 2]" 1
76 1 23 PHE HA 1 63 THR HA . . 4.970 2.444 2.183 2.945 . 0 0 "[ . 1 . 2]" 1
77 1 23 PHE HA 1 63 THR MG . . 4.210 2.521 2.106 3.197 . 0 0 "[ . 1 . 2]" 1
78 1 23 PHE QB 1 63 THR MG . . 5.060 3.360 2.253 4.180 . 0 0 "[ . 1 . 2]" 1
79 1 23 PHE QD 1 61 MET ME . . 5.530 4.268 2.284 5.537 0.007 13 0 "[ . 1 . 2]" 1
80 1 23 PHE QD 1 63 THR MG . . 4.460 2.787 2.116 3.483 . 0 0 "[ . 1 . 2]" 1
81 1 23 PHE QE 1 61 MET ME . . 4.860 3.836 2.479 4.870 0.010 14 0 "[ . 1 . 2]" 1
82 1 23 PHE QE 1 63 THR MG . . 5.710 3.542 2.645 5.212 . 0 0 "[ . 1 . 2]" 1
83 1 24 VAL H 1 24 VAL QG . . 4.260 2.546 2.260 2.943 . 0 0 "[ . 1 . 2]" 1
84 1 24 VAL H 1 62 GLY H . . 4.930 3.266 2.973 3.637 . 0 0 "[ . 1 . 2]" 1
85 1 24 VAL H 1 63 THR HA . . 5.630 3.264 2.940 3.614 . 0 0 "[ . 1 . 2]" 1
86 1 24 VAL HB 1 62 GLY H . . 5.060 3.079 2.127 4.281 . 0 0 "[ . 1 . 2]" 1
87 1 24 VAL QG 1 27 LEU QB . . 4.160 2.719 2.050 4.178 0.018 6 0 "[ . 1 . 2]" 1
88 1 24 VAL QG 1 27 LEU QD . . 4.510 2.056 1.891 2.201 . 0 0 "[ . 1 . 2]" 1
89 1 24 VAL QG 1 27 LEU HG . . 5.920 3.431 2.233 4.710 . 0 0 "[ . 1 . 2]" 1
90 1 24 VAL QG 1 36 LEU QD . . 5.840 2.267 1.954 2.838 . 0 0 "[ . 1 . 2]" 1
91 1 24 VAL QG 1 40 PHE QD . . 4.520 4.275 4.002 4.542 0.022 18 0 "[ . 1 . 2]" 1
92 1 24 VAL QG 1 40 PHE QE . . 4.050 2.604 2.250 2.960 . 0 0 "[ . 1 . 2]" 1
93 1 24 VAL QG 1 51 ILE MD . . 3.910 3.860 3.406 3.966 0.056 2 0 "[ . 1 . 2]" 1
94 1 24 VAL QG 1 63 THR HA . . 5.030 3.199 2.703 3.870 . 0 0 "[ . 1 . 2]" 1
95 1 24 VAL QG 1 64 VAL HB . . 5.920 4.140 3.581 5.407 . 0 0 "[ . 1 . 2]" 1
96 1 24 VAL QG 1 64 VAL QG . . 3.780 2.720 2.213 3.099 . 0 0 "[ . 1 . 2]" 1
97 1 24 VAL QG 1 91 VAL HA . . 3.780 3.204 2.074 3.799 0.019 15 0 "[ . 1 . 2]" 1
98 1 24 VAL QG 1 91 VAL QG . . 3.690 2.201 1.835 2.556 . 0 0 "[ . 1 . 2]" 1
99 1 24 VAL MG1 1 40 PHE QD . . 6.000 5.566 5.026 6.005 0.005 2 0 "[ . 1 . 2]" 1
100 1 24 VAL MG1 1 40 PHE HZ . . 4.440 3.833 2.842 4.396 . 0 0 "[ . 1 . 2]" 1
101 1 24 VAL MG1 1 91 VAL HA . . 4.320 3.517 2.078 4.326 0.006 15 0 "[ . 1 . 2]" 1
102 1 24 VAL MG2 1 40 PHE QD . . 6.000 4.466 4.141 5.063 . 0 0 "[ . 1 . 2]" 1
103 1 24 VAL MG2 1 40 PHE HZ . . 4.440 3.157 2.563 4.442 0.002 6 0 "[ . 1 . 2]" 1
104 1 24 VAL MG2 1 91 VAL HA . . 4.320 3.950 3.492 4.399 0.079 6 0 "[ . 1 . 2]" 1
105 1 27 LEU H 1 27 LEU MD1 . . 5.500 3.529 2.402 4.917 . 0 0 "[ . 1 . 2]" 1
106 1 27 LEU H 1 27 LEU QD . . 4.720 2.699 1.804 3.861 . 0 0 "[ . 1 . 2]" 1
107 1 27 LEU H 1 27 LEU MD2 . . 5.500 3.442 1.808 4.708 . 0 0 "[ . 1 . 2]" 1
108 1 27 LEU H 1 27 LEU HG . . 4.380 3.294 1.985 4.367 . 0 0 "[ . 1 . 2]" 1
109 1 27 LEU HA 1 27 LEU QD . . 3.470 3.414 3.176 3.493 0.023 16 0 "[ . 1 . 2]" 1
110 1 27 LEU HA 1 89 ILE H . . 3.530 3.653 3.592 3.694 0.164 16 0 "[ . 1 . 2]" 1
111 1 27 LEU HA 1 89 ILE MG . . 6.000 2.182 2.014 3.032 . 0 0 "[ . 1 . 2]" 1
112 1 27 LEU QB 1 89 ILE MG . . 3.470 2.141 1.949 2.408 . 0 0 "[ . 1 . 2]" 1
113 1 27 LEU QD 1 51 ILE MG . . 5.340 2.904 1.975 4.086 . 0 0 "[ . 1 . 2]" 1
114 1 27 LEU QD 1 61 MET HA . . 4.370 2.626 2.033 3.854 . 0 0 "[ . 1 . 2]" 1
115 1 27 LEU QD 1 62 GLY H . . 4.360 3.005 2.180 4.365 0.005 15 0 "[ . 1 . 2]" 1
116 1 27 LEU QD 1 84 PHE QD . . 4.380 4.008 3.233 4.394 0.014 16 0 "[ . 1 . 2]" 1
117 1 27 LEU QD 1 89 ILE MG . . 3.980 2.996 2.050 3.345 . 0 0 "[ . 1 . 2]" 1
118 1 27 LEU MD1 1 62 GLY H . . 5.240 4.015 3.156 5.237 . 0 0 "[ . 1 . 2]" 1
119 1 27 LEU MD2 1 62 GLY H . . 5.240 3.384 2.194 5.252 0.012 13 0 "[ . 1 . 2]" 1
120 1 27 LEU HG 1 61 MET HA . . 5.090 4.329 2.557 5.107 0.017 17 0 "[ . 1 . 2]" 1
121 1 28 THR MG 1 85 MET QB . . 3.820 2.374 2.006 3.093 . 0 0 "[ . 1 . 2]" 1
122 1 28 THR MG 1 87 ARG QD . . 5.810 3.984 2.123 5.819 0.009 6 0 "[ . 1 . 2]" 1
123 1 31 SER HA 1 32 THR MG . . 4.850 3.574 3.101 4.710 . 0 0 "[ . 1 . 2]" 1
124 1 31 SER QB 1 51 ILE MD . . 5.190 3.363 2.199 5.166 . 0 0 "[ . 1 . 2]" 1
125 1 32 THR H 1 32 THR MG . . 4.260 2.848 2.308 3.880 . 0 0 "[ . 1 . 2]" 1
126 1 32 THR H 1 35 ASP H . . 5.230 3.812 3.141 4.616 . 0 0 "[ . 1 . 2]" 1
127 1 32 THR H 1 35 ASP HB2 . . 4.800 3.146 2.107 4.690 . 0 0 "[ . 1 . 2]" 1
128 1 32 THR H 1 35 ASP QB . . 4.140 2.709 1.864 3.792 . 0 0 "[ . 1 . 2]" 1
129 1 32 THR H 1 35 ASP HB3 . . 4.800 3.525 1.874 4.810 0.010 12 0 "[ . 1 . 2]" 1
130 1 32 THR HA 1 51 ILE MD . . 4.880 3.650 2.520 4.897 0.017 10 0 "[ . 1 . 2]" 1
131 1 32 THR HB 1 34 GLU H . . 5.360 2.858 2.445 3.391 . 0 0 "[ . 1 . 2]" 1
132 1 32 THR MG 1 33 PRO QD . . 4.750 3.116 2.091 3.586 . 0 0 "[ . 1 . 2]" 1
133 1 32 THR MG 1 34 GLU H . . 5.120 4.333 3.920 4.904 . 0 0 "[ . 1 . 2]" 1
134 1 33 PRO HA 1 36 LEU H . . 4.930 3.285 3.001 3.603 . 0 0 "[ . 1 . 2]" 1
135 1 33 PRO HA 1 36 LEU QB . . 4.790 2.544 2.186 3.216 . 0 0 "[ . 1 . 2]" 1
136 1 33 PRO HA 1 36 LEU MD1 . . 5.630 3.396 2.156 4.918 . 0 0 "[ . 1 . 2]" 1
137 1 33 PRO HA 1 36 LEU QD . . 4.200 3.142 2.152 3.754 . 0 0 "[ . 1 . 2]" 1
138 1 33 PRO HA 1 36 LEU MD2 . . 5.630 4.678 3.077 5.331 . 0 0 "[ . 1 . 2]" 1
139 1 33 PRO HA 1 36 LEU HG . . 5.080 3.850 3.092 5.135 0.055 18 0 "[ . 1 . 2]" 1
140 1 33 PRO HA 1 49 ALA MB . . 4.170 2.945 2.577 3.767 . 0 0 "[ . 1 . 2]" 1
141 1 33 PRO HA 1 51 ILE MD . . 5.070 2.975 2.337 3.889 . 0 0 "[ . 1 . 2]" 1
142 1 33 PRO HA 1 51 ILE QG . . 3.930 2.892 2.366 3.863 . 0 0 "[ . 1 . 2]" 1
143 1 33 PRO QB 1 49 ALA MB . . 3.700 2.358 2.078 2.671 . 0 0 "[ . 1 . 2]" 1
144 1 33 PRO QB 1 51 ILE MD . . 4.360 3.633 2.283 4.371 0.011 7 0 "[ . 1 . 2]" 1
145 1 33 PRO QB 1 51 ILE QG . . 3.720 2.688 2.189 3.743 0.023 10 0 "[ . 1 . 2]" 1
146 1 33 PRO HB2 1 49 ALA MB . . 4.330 2.459 2.231 2.822 . 0 0 "[ . 1 . 2]" 1
147 1 33 PRO HB3 1 49 ALA MB . . 4.330 3.053 2.479 3.554 . 0 0 "[ . 1 . 2]" 1
148 1 33 PRO QD 1 34 GLU H . . 4.030 2.913 2.687 3.184 . 0 0 "[ . 1 . 2]" 1
149 1 33 PRO QD 1 51 ILE H . . 5.810 3.517 3.030 4.817 . 0 0 "[ . 1 . 2]" 1
150 1 33 PRO QD 1 51 ILE MD . . 4.750 3.515 2.724 4.131 . 0 0 "[ . 1 . 2]" 1
151 1 33 PRO QD 1 51 ILE QG . . 4.410 2.956 2.278 3.934 . 0 0 "[ . 1 . 2]" 1
152 1 33 PRO HD2 1 51 ILE MD . . 5.450 4.728 3.854 5.475 0.025 9 0 "[ . 1 . 2]" 1
153 1 33 PRO HD3 1 51 ILE MD . . 5.450 3.628 2.785 4.274 . 0 0 "[ . 1 . 2]" 1
154 1 33 PRO QG 1 34 GLU H . . 4.900 2.626 2.376 2.809 . 0 0 "[ . 1 . 2]" 1
155 1 33 PRO QG 1 51 ILE H . . 4.740 3.341 2.535 4.775 0.035 18 0 "[ . 1 . 2]" 1
156 1 33 PRO QG 1 51 ILE MD . . 5.560 4.665 4.050 5.372 . 0 0 "[ . 1 . 2]" 1
157 1 34 GLU H 1 34 GLU HB2 . . 4.050 2.451 2.356 2.505 . 0 0 "[ . 1 . 2]" 1
158 1 34 GLU H 1 34 GLU HB3 . . 4.050 3.132 2.470 3.622 . 0 0 "[ . 1 . 2]" 1
159 1 34 GLU H 1 34 GLU HG2 . . 5.330 3.844 2.364 4.581 . 0 0 "[ . 1 . 2]" 1
160 1 34 GLU H 1 34 GLU QG . . 4.520 3.074 2.239 4.058 . 0 0 "[ . 1 . 2]" 1
161 1 34 GLU H 1 34 GLU HG3 . . 5.330 3.424 2.270 4.531 . 0 0 "[ . 1 . 2]" 1
162 1 34 GLU H 1 35 ASP H . . 4.160 2.679 2.600 2.757 . 0 0 "[ . 1 . 2]" 1
163 1 34 GLU HA 1 34 GLU QG . . 3.680 2.443 2.304 2.965 . 0 0 "[ . 1 . 2]" 1
164 1 34 GLU HA 1 37 THR H . . 4.580 3.131 2.652 3.325 . 0 0 "[ . 1 . 2]" 1
165 1 34 GLU HA 1 37 THR HB . . 3.520 2.415 2.217 2.624 . 0 0 "[ . 1 . 2]" 1
166 1 34 GLU HA 1 37 THR MG . . 4.150 3.813 3.649 3.980 . 0 0 "[ . 1 . 2]" 1
167 1 34 GLU QB 1 35 ASP H . . 4.150 2.729 2.584 3.220 . 0 0 "[ . 1 . 2]" 1
168 1 34 GLU QB 1 35 ASP QB . . 4.560 4.291 3.841 4.591 0.031 4 0 "[ . 1 . 2]" 1
169 1 34 GLU HB2 1 35 ASP H . . 4.790 3.344 2.642 4.014 . 0 0 "[ . 1 . 2]" 1
170 1 34 GLU HB3 1 35 ASP H . . 4.790 3.302 2.633 4.053 . 0 0 "[ . 1 . 2]" 1
171 1 34 GLU QG 1 35 ASP H . . 5.440 4.064 3.707 4.548 . 0 0 "[ . 1 . 2]" 1
172 1 35 ASP H 1 36 LEU H . . 4.210 2.655 2.458 2.776 . 0 0 "[ . 1 . 2]" 1
173 1 35 ASP HA 1 38 GLU H . . 5.030 3.571 3.284 3.936 . 0 0 "[ . 1 . 2]" 1
174 1 35 ASP HA 1 39 PHE H . . 6.000 4.247 4.017 4.630 . 0 0 "[ . 1 . 2]" 1
175 1 35 ASP QB 1 39 PHE H . . 5.810 5.251 4.760 5.784 . 0 0 "[ . 1 . 2]" 1
176 1 35 ASP HB2 1 36 LEU H . . 4.560 3.267 2.429 4.070 . 0 0 "[ . 1 . 2]" 1
177 1 35 ASP HB3 1 36 LEU H . . 4.560 3.223 2.644 3.846 . 0 0 "[ . 1 . 2]" 1
178 1 36 LEU H 1 36 LEU QB . . 3.650 2.319 1.992 2.469 . 0 0 "[ . 1 . 2]" 1
179 1 36 LEU H 1 36 LEU MD1 . . 4.920 3.828 2.920 4.144 . 0 0 "[ . 1 . 2]" 1
180 1 36 LEU H 1 36 LEU QD . . 4.270 3.187 2.371 3.486 . 0 0 "[ . 1 . 2]" 1
181 1 36 LEU H 1 36 LEU MD2 . . 4.920 3.561 2.385 4.279 . 0 0 "[ . 1 . 2]" 1
182 1 36 LEU H 1 36 LEU HG . . 4.130 3.000 2.581 4.286 0.156 12 0 "[ . 1 . 2]" 1
183 1 36 LEU H 1 37 THR H . . 4.330 2.651 2.460 2.802 . 0 0 "[ . 1 . 2]" 1
184 1 36 LEU HA 1 36 LEU QD . . 3.590 2.106 2.008 2.327 . 0 0 "[ . 1 . 2]" 1
185 1 36 LEU HA 1 36 LEU HG . . 4.210 3.094 2.173 3.726 . 0 0 "[ . 1 . 2]" 1
186 1 36 LEU HA 1 39 PHE H . . 4.800 3.412 3.201 3.634 . 0 0 "[ . 1 . 2]" 1
187 1 36 LEU HA 1 39 PHE QD . . 5.400 3.338 3.065 3.736 . 0 0 "[ . 1 . 2]" 1
188 1 36 LEU HA 1 40 PHE QD . . 3.900 3.420 3.113 3.752 . 0 0 "[ . 1 . 2]" 1
189 1 36 LEU HA 1 40 PHE QE . . 4.520 4.433 4.040 4.548 0.028 12 0 "[ . 1 . 2]" 1
190 1 36 LEU HA 1 49 ALA MB . . 5.400 5.098 4.752 5.420 0.020 20 0 "[ . 1 . 2]" 1
191 1 36 LEU HA 1 84 PHE HZ . . 4.760 3.842 2.692 4.787 0.027 16 0 "[ . 1 . 2]" 1
192 1 36 LEU QB 1 37 THR H . . 4.150 2.869 2.677 3.105 . 0 0 "[ . 1 . 2]" 1
193 1 36 LEU QB 1 40 PHE QD . . 4.130 2.573 2.221 4.141 0.011 12 0 "[ . 1 . 2]" 1
194 1 36 LEU QB 1 40 PHE QE . . 4.880 3.467 3.014 4.609 . 0 0 "[ . 1 . 2]" 1
195 1 36 LEU QB 1 49 ALA MB . . 3.900 2.769 2.497 3.081 . 0 0 "[ . 1 . 2]" 1
196 1 36 LEU QB 1 51 ILE MD . . 4.090 3.331 2.422 4.041 . 0 0 "[ . 1 . 2]" 1
197 1 36 LEU QB 1 64 VAL QG . . 3.990 2.504 2.193 3.370 . 0 0 "[ . 1 . 2]" 1
198 1 36 LEU QD 1 39 PHE QD . . 5.360 2.885 2.545 3.511 . 0 0 "[ . 1 . 2]" 1
199 1 36 LEU QD 1 39 PHE QE . . 5.920 3.737 3.460 4.194 . 0 0 "[ . 1 . 2]" 1
200 1 36 LEU QD 1 40 PHE QD . . 4.160 2.806 2.400 3.057 . 0 0 "[ . 1 . 2]" 1
201 1 36 LEU QD 1 40 PHE QE . . 3.520 2.129 1.961 2.199 . 0 0 "[ . 1 . 2]" 1
202 1 36 LEU QD 1 40 PHE HZ . . 3.940 3.907 3.686 3.987 0.047 18 0 "[ . 1 . 2]" 1
203 1 36 LEU QD 1 49 ALA MB . . 3.780 3.329 2.366 3.800 0.020 3 0 "[ . 1 . 2]" 1
204 1 36 LEU QD 1 50 ASP H . . 5.140 4.311 3.501 5.150 0.010 4 0 "[ . 1 . 2]" 1
205 1 36 LEU QD 1 51 ILE MD . . 3.220 2.075 1.897 2.231 . 0 0 "[ . 1 . 2]" 1
206 1 36 LEU QD 1 51 ILE MG . . 5.560 4.091 3.435 4.584 . 0 0 "[ . 1 . 2]" 1
207 1 36 LEU QD 1 63 THR H . . 4.910 4.090 3.054 4.936 0.026 10 0 "[ . 1 . 2]" 1
208 1 36 LEU QD 1 64 VAL QG . . 5.110 2.327 2.035 3.087 . 0 0 "[ . 1 . 2]" 1
209 1 36 LEU MD1 1 40 PHE QD . . 5.240 3.552 2.409 4.548 . 0 0 "[ . 1 . 2]" 1
210 1 36 LEU MD1 1 40 PHE QE . . 4.310 2.828 1.964 4.125 . 0 0 "[ . 1 . 2]" 1
211 1 36 LEU MD1 1 51 ILE MD . . 3.800 2.280 1.902 3.467 . 0 0 "[ . 1 . 2]" 1
212 1 36 LEU MD2 1 40 PHE QD . . 5.240 3.164 2.687 4.674 . 0 0 "[ . 1 . 2]" 1
213 1 36 LEU MD2 1 40 PHE QE . . 4.310 2.500 2.094 4.343 0.033 4 0 "[ . 1 . 2]" 1
214 1 36 LEU MD2 1 51 ILE MD . . 3.800 3.329 2.176 3.818 0.018 3 0 "[ . 1 . 2]" 1
215 1 36 LEU HG 1 40 PHE QD . . 5.020 4.747 2.286 5.054 0.034 16 0 "[ . 1 . 2]" 1
216 1 36 LEU HG 1 51 ILE MD . . 4.870 3.023 2.038 4.836 . 0 0 "[ . 1 . 2]" 1
217 1 37 THR H 1 37 THR HB . . 3.720 2.555 2.431 2.700 . 0 0 "[ . 1 . 2]" 1
218 1 37 THR H 1 37 THR MG . . 4.530 3.814 3.788 3.831 . 0 0 "[ . 1 . 2]" 1
219 1 37 THR H 1 38 GLU H . . 4.360 2.770 2.636 2.936 . 0 0 "[ . 1 . 2]" 1
220 1 37 THR H 1 49 ALA MB . . 4.650 3.528 3.210 4.192 . 0 0 "[ . 1 . 2]" 1
221 1 37 THR HA 1 37 THR MG . . 3.620 2.383 2.304 2.489 . 0 0 "[ . 1 . 2]" 1
222 1 37 THR HA 1 40 PHE H . . 5.450 3.779 3.552 4.073 . 0 0 "[ . 1 . 2]" 1
223 1 37 THR HA 1 40 PHE HB2 . . 5.800 3.398 3.184 3.674 . 0 0 "[ . 1 . 2]" 1
224 1 37 THR HA 1 40 PHE QB . . 4.950 3.335 3.131 3.599 . 0 0 "[ . 1 . 2]" 1
225 1 37 THR HA 1 40 PHE HB3 . . 5.800 4.845 4.624 5.152 . 0 0 "[ . 1 . 2]" 1
226 1 37 THR HA 1 46 VAL HB . . 5.100 3.549 2.865 4.291 . 0 0 "[ . 1 . 2]" 1
227 1 37 THR HA 1 46 VAL MG1 . . 3.930 2.715 2.227 3.262 . 0 0 "[ . 1 . 2]" 1
228 1 37 THR HA 1 46 VAL QG . . 3.440 2.291 2.001 2.502 . 0 0 "[ . 1 . 2]" 1
229 1 37 THR HA 1 46 VAL MG2 . . 3.930 2.642 2.157 3.757 . 0 0 "[ . 1 . 2]" 1
230 1 37 THR HA 1 49 ALA MB . . 5.020 3.463 3.026 4.196 . 0 0 "[ . 1 . 2]" 1
231 1 37 THR HA 1 64 VAL MG1 . . 5.290 3.742 3.148 4.125 . 0 0 "[ . 1 . 2]" 1
232 1 37 THR HA 1 64 VAL MG2 . . 5.290 4.598 4.315 4.895 . 0 0 "[ . 1 . 2]" 1
233 1 37 THR HB 1 38 GLU H . . 3.770 2.567 2.438 2.710 . 0 0 "[ . 1 . 2]" 1
234 1 37 THR MG 1 38 GLU H . . 4.980 3.380 3.131 3.514 . 0 0 "[ . 1 . 2]" 1
235 1 37 THR MG 1 40 PHE H . . 6.000 5.193 5.078 5.379 . 0 0 "[ . 1 . 2]" 1
236 1 37 THR MG 1 40 PHE QD . . 5.900 5.912 5.863 5.937 0.037 1 0 "[ . 1 . 2]" 1
237 1 37 THR MG 1 46 VAL H . . 5.530 4.110 3.766 4.610 . 0 0 "[ . 1 . 2]" 1
238 1 37 THR MG 1 46 VAL HB . . 3.860 2.514 2.167 3.909 0.049 16 0 "[ . 1 . 2]" 1
239 1 37 THR MG 1 46 VAL MG1 . . 3.970 2.409 1.944 2.896 . 0 0 "[ . 1 . 2]" 1
240 1 37 THR MG 1 46 VAL QG . . 3.340 2.321 1.939 2.664 . 0 0 "[ . 1 . 2]" 1
241 1 37 THR MG 1 46 VAL MG2 . . 3.970 3.248 2.841 4.001 0.031 14 0 "[ . 1 . 2]" 1
242 1 37 THR MG 1 49 ALA MB . . 6.000 3.750 3.461 4.347 . 0 0 "[ . 1 . 2]" 1
243 1 38 GLU H 1 38 GLU QB . . 3.470 2.297 2.170 2.576 . 0 0 "[ . 1 . 2]" 1
244 1 38 GLU H 1 38 GLU QG . . 4.550 3.455 2.153 4.050 . 0 0 "[ . 1 . 2]" 1
245 1 38 GLU H 1 39 PHE H . . 4.300 2.751 2.639 2.854 . 0 0 "[ . 1 . 2]" 1
246 1 38 GLU HA 1 38 GLU QG . . 3.550 2.437 2.319 3.383 . 0 0 "[ . 1 . 2]" 1
247 1 38 GLU QB 1 39 PHE H . . 4.100 2.830 2.527 3.761 . 0 0 "[ . 1 . 2]" 1
248 1 38 GLU QG 1 39 PHE H . . 4.140 3.898 2.740 4.188 0.048 1 0 "[ . 1 . 2]" 1
249 1 39 PHE H 1 39 PHE HB2 . . 4.000 2.521 2.374 2.801 . 0 0 "[ . 1 . 2]" 1
250 1 39 PHE H 1 39 PHE HB3 . . 4.000 2.310 2.230 2.434 . 0 0 "[ . 1 . 2]" 1
251 1 39 PHE H 1 39 PHE QD . . 5.410 4.141 4.109 4.184 . 0 0 "[ . 1 . 2]" 1
252 1 39 PHE H 1 40 PHE H . . 4.390 2.861 2.503 3.042 . 0 0 "[ . 1 . 2]" 1
253 1 39 PHE HA 1 39 PHE QD . . 4.080 2.710 2.390 2.892 . 0 0 "[ . 1 . 2]" 1
254 1 39 PHE HA 1 42 GLN QE . . 4.550 3.279 2.451 4.561 0.011 15 0 "[ . 1 . 2]" 1
255 1 39 PHE HA 1 84 PHE QE . . 6.000 4.692 4.260 5.097 . 0 0 "[ . 1 . 2]" 1
256 1 39 PHE QB 1 40 PHE H . . 4.040 2.301 2.131 2.393 . 0 0 "[ . 1 . 2]" 1
257 1 39 PHE QB 1 40 PHE QD . . 5.060 3.691 3.389 3.900 . 0 0 "[ . 1 . 2]" 1
258 1 39 PHE QB 1 84 PHE QE . . 4.840 2.921 2.491 3.566 . 0 0 "[ . 1 . 2]" 1
259 1 39 PHE QB 1 84 PHE HZ . . 4.540 2.737 2.230 3.548 . 0 0 "[ . 1 . 2]" 1
260 1 39 PHE HB2 1 40 PHE H . . 4.770 3.779 3.623 3.844 . 0 0 "[ . 1 . 2]" 1
261 1 39 PHE HB3 1 40 PHE H . . 4.770 2.321 2.146 2.418 . 0 0 "[ . 1 . 2]" 1
262 1 39 PHE QD 1 40 PHE H . . 5.240 3.029 2.834 3.407 . 0 0 "[ . 1 . 2]" 1
263 1 39 PHE QD 1 40 PHE HA . . 5.600 3.818 3.525 4.296 . 0 0 "[ . 1 . 2]" 1
264 1 39 PHE QD 1 40 PHE QB . . 5.810 3.929 3.717 4.286 . 0 0 "[ . 1 . 2]" 1
265 1 39 PHE QD 1 40 PHE QD . . 4.800 2.983 2.802 3.196 . 0 0 "[ . 1 . 2]" 1
266 1 39 PHE QD 1 40 PHE QE . . 4.550 3.378 3.113 3.658 . 0 0 "[ . 1 . 2]" 1
267 1 39 PHE QD 1 40 PHE HZ . . 4.510 4.365 3.967 4.525 0.015 10 0 "[ . 1 . 2]" 1
268 1 39 PHE QD 1 42 GLN HE21 . . 6.000 5.173 3.733 6.004 0.004 2 0 "[ . 1 . 2]" 1
269 1 39 PHE QD 1 42 GLN QE . . 5.290 4.372 3.071 5.105 . 0 0 "[ . 1 . 2]" 1
270 1 39 PHE QD 1 42 GLN HE22 . . 6.000 4.734 3.267 5.570 . 0 0 "[ . 1 . 2]" 1
271 1 39 PHE QD 1 84 PHE QD . . 5.150 4.179 3.959 4.495 . 0 0 "[ . 1 . 2]" 1
272 1 39 PHE QD 1 84 PHE QE . . 4.670 2.687 2.317 3.057 . 0 0 "[ . 1 . 2]" 1
273 1 39 PHE QE 1 40 PHE QD . . 6.000 4.272 4.117 4.660 . 0 0 "[ . 1 . 2]" 1
274 1 39 PHE QE 1 40 PHE QE . . 4.550 3.540 3.421 3.710 . 0 0 "[ . 1 . 2]" 1
275 1 39 PHE QE 1 79 TYR HB2 . . 5.070 3.704 3.603 3.890 . 0 0 "[ . 1 . 2]" 1
276 1 39 PHE QE 1 79 TYR QB . . 4.430 2.422 2.310 2.625 . 0 0 "[ . 1 . 2]" 1
277 1 39 PHE QE 1 79 TYR HB3 . . 5.070 2.456 2.336 2.672 . 0 0 "[ . 1 . 2]" 1
278 1 39 PHE QE 1 79 TYR QD . . 6.000 3.128 2.907 3.236 . 0 0 "[ . 1 . 2]" 1
279 1 39 PHE QE 1 82 ALA MB . . 4.980 3.002 2.722 3.399 . 0 0 "[ . 1 . 2]" 1
280 1 39 PHE QE 1 84 PHE HA . . 5.830 5.839 5.796 5.857 0.027 10 0 "[ . 1 . 2]" 1
281 1 39 PHE QE 1 84 PHE QE . . 4.760 3.242 2.657 3.587 . 0 0 "[ . 1 . 2]" 1
282 1 39 PHE QE 1 89 ILE MD . . 4.230 2.361 2.227 3.018 . 0 0 "[ . 1 . 2]" 1
283 1 39 PHE HZ 1 79 TYR QB . . 5.300 2.454 2.357 2.740 . 0 0 "[ . 1 . 2]" 1
284 1 39 PHE HZ 1 79 TYR QD . . 4.680 2.791 2.631 3.064 . 0 0 "[ . 1 . 2]" 1
285 1 39 PHE HZ 1 79 TYR QE . . 6.000 4.392 4.137 4.596 . 0 0 "[ . 1 . 2]" 1
286 1 39 PHE HZ 1 82 ALA MB . . 4.260 2.298 2.111 2.636 . 0 0 "[ . 1 . 2]" 1
287 1 39 PHE HZ 1 84 PHE QB . . 4.840 4.743 4.502 4.862 0.022 4 0 "[ . 1 . 2]" 1
288 1 39 PHE HZ 1 89 ILE MD . . 4.900 2.580 2.426 2.840 . 0 0 "[ . 1 . 2]" 1
289 1 40 PHE H 1 40 PHE QB . . 3.660 2.235 2.191 2.263 . 0 0 "[ . 1 . 2]" 1
290 1 40 PHE H 1 40 PHE QD . . 4.120 3.023 2.884 3.121 . 0 0 "[ . 1 . 2]" 1
291 1 40 PHE H 1 40 PHE QE . . 5.760 4.927 4.822 5.027 . 0 0 "[ . 1 . 2]" 1
292 1 40 PHE H 1 41 SER H . . 4.200 2.753 2.695 2.814 . 0 0 "[ . 1 . 2]" 1
293 1 40 PHE H 1 64 VAL QG . . 5.210 4.281 4.030 4.445 . 0 0 "[ . 1 . 2]" 1
294 1 40 PHE HA 1 40 PHE QD . . 3.650 2.483 2.363 2.663 . 0 0 "[ . 1 . 2]" 1
295 1 40 PHE HA 1 41 SER H . . 3.490 3.538 3.495 3.561 0.071 17 0 "[ . 1 . 2]" 1
296 1 40 PHE HA 1 43 ILE HB . . 5.050 4.637 3.947 4.959 . 0 0 "[ . 1 . 2]" 1
297 1 40 PHE HA 1 43 ILE MD . . 5.480 4.736 4.565 4.932 . 0 0 "[ . 1 . 2]" 1
298 1 40 PHE HA 1 64 VAL QG . . 4.900 4.859 4.689 4.928 0.028 17 0 "[ . 1 . 2]" 1
299 1 40 PHE HA 1 66 PHE HZ . . 4.880 3.659 3.346 3.896 . 0 0 "[ . 1 . 2]" 1
300 1 40 PHE HA 1 79 TYR QE . . 5.120 2.666 2.362 3.064 . 0 0 "[ . 1 . 2]" 1
301 1 40 PHE QB 1 46 VAL QG . . 4.260 2.165 1.944 2.460 . 0 0 "[ . 1 . 2]" 1
302 1 40 PHE QB 1 64 VAL QG . . 3.800 2.572 2.332 2.690 . 0 0 "[ . 1 . 2]" 1
303 1 40 PHE QB 1 66 PHE QD . . 5.810 4.458 4.182 4.692 . 0 0 "[ . 1 . 2]" 1
304 1 40 PHE QB 1 66 PHE QE . . 4.190 2.833 2.458 3.171 . 0 0 "[ . 1 . 2]" 1
305 1 40 PHE QB 1 66 PHE HZ . . 3.990 2.298 2.176 2.454 . 0 0 "[ . 1 . 2]" 1
306 1 40 PHE HB2 1 64 VAL MG1 . . 5.530 2.852 2.477 3.020 . 0 0 "[ . 1 . 2]" 1
307 1 40 PHE HB2 1 64 VAL MG2 . . 5.530 3.748 3.148 4.103 . 0 0 "[ . 1 . 2]" 1
308 1 40 PHE HB2 1 66 PHE QE . . 4.910 4.019 3.680 4.503 . 0 0 "[ . 1 . 2]" 1
309 1 40 PHE HB2 1 66 PHE HZ . . 4.790 3.995 3.856 4.107 . 0 0 "[ . 1 . 2]" 1
310 1 40 PHE HB3 1 64 VAL MG1 . . 5.530 3.164 2.865 3.829 . 0 0 "[ . 1 . 2]" 1
311 1 40 PHE HB3 1 64 VAL MG2 . . 5.530 4.416 3.443 4.795 . 0 0 "[ . 1 . 2]" 1
312 1 40 PHE HB3 1 66 PHE QE . . 4.910 2.897 2.496 3.241 . 0 0 "[ . 1 . 2]" 1
313 1 40 PHE HB3 1 66 PHE HZ . . 4.790 2.312 2.187 2.473 . 0 0 "[ . 1 . 2]" 1
314 1 40 PHE QD 1 43 ILE HB . . 5.850 4.880 3.965 5.160 . 0 0 "[ . 1 . 2]" 1
315 1 40 PHE QD 1 43 ILE MD . . 4.980 4.909 4.718 4.989 0.009 17 0 "[ . 1 . 2]" 1
316 1 40 PHE QD 1 43 ILE HG12 . . 5.200 4.435 3.978 4.734 . 0 0 "[ . 1 . 2]" 1
317 1 40 PHE QD 1 43 ILE QG . . 4.420 3.597 3.177 3.757 . 0 0 "[ . 1 . 2]" 1
318 1 40 PHE QD 1 43 ILE HG13 . . 5.200 3.805 3.340 3.976 . 0 0 "[ . 1 . 2]" 1
319 1 40 PHE QD 1 43 ILE MG . . 5.400 5.115 4.557 5.343 . 0 0 "[ . 1 . 2]" 1
320 1 40 PHE QD 1 64 VAL MG1 . . 4.580 3.005 2.556 3.272 . 0 0 "[ . 1 . 2]" 1
321 1 40 PHE QD 1 64 VAL QG . . 3.740 2.322 2.153 2.479 . 0 0 "[ . 1 . 2]" 1
322 1 40 PHE QD 1 64 VAL MG2 . . 4.580 2.425 2.297 2.585 . 0 0 "[ . 1 . 2]" 1
323 1 40 PHE QD 1 66 PHE HZ . . 3.740 2.239 2.154 2.319 . 0 0 "[ . 1 . 2]" 1
324 1 40 PHE QD 1 72 VAL HA . . 5.920 5.701 5.201 5.945 0.025 6 0 "[ . 1 . 2]" 1
325 1 40 PHE QD 1 75 ALA HA . . 4.870 4.563 4.351 4.810 . 0 0 "[ . 1 . 2]" 1
326 1 40 PHE QD 1 75 ALA MB . . 4.170 2.322 2.184 2.585 . 0 0 "[ . 1 . 2]" 1
327 1 40 PHE QD 1 79 TYR QE . . 5.500 2.640 2.459 2.851 . 0 0 "[ . 1 . 2]" 1
328 1 40 PHE QE 1 64 VAL MG1 . . 4.520 4.233 3.771 4.523 0.003 20 0 "[ . 1 . 2]" 1
329 1 40 PHE QE 1 64 VAL MG2 . . 4.520 2.804 2.384 3.155 . 0 0 "[ . 1 . 2]" 1
330 1 40 PHE QE 1 75 ALA MB . . 6.000 3.031 2.449 3.201 . 0 0 "[ . 1 . 2]" 1
331 1 40 PHE QE 1 76 ILE MD . . 6.000 3.691 2.410 4.190 . 0 0 "[ . 1 . 2]" 1
332 1 40 PHE QE 1 79 TYR HB2 . . 4.680 3.270 2.802 3.742 . 0 0 "[ . 1 . 2]" 1
333 1 40 PHE QE 1 79 TYR QB . . 3.900 3.128 2.729 3.562 . 0 0 "[ . 1 . 2]" 1
334 1 40 PHE QE 1 79 TYR HB3 . . 4.680 3.990 3.757 4.468 . 0 0 "[ . 1 . 2]" 1
335 1 40 PHE QE 1 79 TYR QD . . 6.000 2.290 2.181 2.433 . 0 0 "[ . 1 . 2]" 1
336 1 40 PHE QE 1 91 VAL MG1 . . 4.340 3.674 3.361 4.281 . 0 0 "[ . 1 . 2]" 1
337 1 40 PHE QE 1 91 VAL QG . . 3.740 3.198 2.891 3.603 . 0 0 "[ . 1 . 2]" 1
338 1 40 PHE QE 1 91 VAL MG2 . . 4.340 3.567 3.086 4.332 . 0 0 "[ . 1 . 2]" 1
339 1 40 PHE HZ 1 64 VAL QG . . 5.920 4.194 3.924 4.480 . 0 0 "[ . 1 . 2]" 1
340 1 40 PHE HZ 1 76 ILE QG . . 3.480 3.521 3.487 3.560 0.080 10 0 "[ . 1 . 2]" 1
341 1 40 PHE HZ 1 79 TYR HB2 . . 5.690 4.246 3.971 4.679 . 0 0 "[ . 1 . 2]" 1
342 1 40 PHE HZ 1 79 TYR HB3 . . 5.690 4.287 3.979 4.661 . 0 0 "[ . 1 . 2]" 1
343 1 40 PHE HZ 1 91 VAL QG . . 3.940 2.532 2.119 3.243 . 0 0 "[ . 1 . 2]" 1
344 1 41 SER H 1 41 SER QB . . 3.450 2.306 2.217 2.555 . 0 0 "[ . 1 . 2]" 1
345 1 41 SER H 1 42 GLN H . . 4.260 2.844 2.779 2.961 . 0 0 "[ . 1 . 2]" 1
346 1 41 SER H 1 46 VAL QG . . 4.220 2.968 2.669 3.931 . 0 0 "[ . 1 . 2]" 1
347 1 41 SER HA 1 43 ILE H . . 5.230 3.373 3.227 3.767 . 0 0 "[ . 1 . 2]" 1
348 1 41 SER HA 1 44 GLY H . . 4.260 3.256 2.687 3.935 . 0 0 "[ . 1 . 2]" 1
349 1 41 SER HA 1 46 VAL HB . . 5.780 3.862 2.163 4.767 . 0 0 "[ . 1 . 2]" 1
350 1 41 SER HA 1 46 VAL QG . . 3.680 2.772 2.349 3.684 0.004 2 0 "[ . 1 . 2]" 1
351 1 41 SER HA 1 66 PHE QE . . 5.800 4.500 3.670 5.614 . 0 0 "[ . 1 . 2]" 1
352 1 41 SER QB 1 42 GLN H . . 3.830 3.436 3.102 3.789 . 0 0 "[ . 1 . 2]" 1
353 1 42 GLN H 1 42 GLN QB . . 3.660 2.230 1.995 2.456 . 0 0 "[ . 1 . 2]" 1
354 1 42 GLN H 1 42 GLN HG2 . . 4.360 3.944 3.297 4.412 0.052 6 0 "[ . 1 . 2]" 1
355 1 42 GLN H 1 42 GLN QG . . 3.710 2.898 2.082 3.812 0.102 15 0 "[ . 1 . 2]" 1
356 1 42 GLN H 1 42 GLN HG3 . . 4.360 3.038 2.105 4.268 . 0 0 "[ . 1 . 2]" 1
357 1 42 GLN H 1 43 ILE H . . 4.060 2.693 2.594 2.792 . 0 0 "[ . 1 . 2]" 1
358 1 42 GLN HA 1 42 GLN QE . . 4.490 4.495 4.193 4.566 0.076 5 0 "[ . 1 . 2]" 1
359 1 42 GLN HA 1 42 GLN QG . . 3.680 2.332 2.232 2.487 . 0 0 "[ . 1 . 2]" 1
360 1 42 GLN HG2 1 43 ILE H . . 5.420 5.059 4.031 5.479 0.059 14 0 "[ . 1 . 2]" 1
361 1 42 GLN HG3 1 43 ILE H . . 5.420 4.873 4.504 5.206 . 0 0 "[ . 1 . 2]" 1
362 1 43 ILE H 1 43 ILE HB . . 3.860 2.411 2.326 2.528 . 0 0 "[ . 1 . 2]" 1
363 1 43 ILE H 1 43 ILE MD . . 4.810 3.526 3.361 3.745 . 0 0 "[ . 1 . 2]" 1
364 1 43 ILE H 1 43 ILE HG12 . . 4.860 2.248 2.129 2.595 . 0 0 "[ . 1 . 2]" 1
365 1 43 ILE H 1 43 ILE QG . . 4.050 2.224 2.110 2.557 . 0 0 "[ . 1 . 2]" 1
366 1 43 ILE H 1 43 ILE HG13 . . 4.860 3.560 3.452 3.857 . 0 0 "[ . 1 . 2]" 1
367 1 43 ILE H 1 43 ILE MG . . 4.680 3.774 3.730 3.832 . 0 0 "[ . 1 . 2]" 1
368 1 43 ILE H 1 44 GLY H . . 3.770 2.537 2.294 2.761 . 0 0 "[ . 1 . 2]" 1
369 1 43 ILE HA 1 43 ILE MD . . 3.200 2.259 2.173 2.337 . 0 0 "[ . 1 . 2]" 1
370 1 43 ILE HA 1 43 ILE QG . . 3.650 2.978 2.899 3.078 . 0 0 "[ . 1 . 2]" 1
371 1 43 ILE HA 1 43 ILE MG . . 3.260 2.462 2.370 2.560 . 0 0 "[ . 1 . 2]" 1
372 1 43 ILE HB 1 44 GLY H . . 3.930 2.914 2.279 3.332 . 0 0 "[ . 1 . 2]" 1
373 1 43 ILE HB 1 66 PHE QD . . 5.040 4.424 3.975 4.834 . 0 0 "[ . 1 . 2]" 1
374 1 43 ILE HB 1 66 PHE QE . . 4.300 2.528 2.335 2.906 . 0 0 "[ . 1 . 2]" 1
375 1 43 ILE HB 1 66 PHE HZ . . 4.780 4.053 3.477 4.507 . 0 0 "[ . 1 . 2]" 1
376 1 43 ILE HB 1 79 TYR QE . . 5.810 4.257 4.056 4.529 . 0 0 "[ . 1 . 2]" 1
377 1 43 ILE MD 1 66 PHE QE . . 4.750 4.771 4.746 4.805 0.055 12 0 "[ . 1 . 2]" 1
378 1 43 ILE MD 1 66 PHE HZ . . 6.000 5.356 5.125 5.588 . 0 0 "[ . 1 . 2]" 1
379 1 43 ILE MD 1 74 ARG HA . . 5.560 5.192 4.762 5.567 0.007 20 0 "[ . 1 . 2]" 1
380 1 43 ILE MD 1 75 ALA H . . 4.640 3.984 3.668 4.432 . 0 0 "[ . 1 . 2]" 1
381 1 43 ILE MD 1 75 ALA MB . . 3.420 3.164 3.031 3.314 . 0 0 "[ . 1 . 2]" 1
382 1 43 ILE MD 1 78 GLN QG . . 5.540 3.638 2.451 4.400 . 0 0 "[ . 1 . 2]" 1
383 1 43 ILE MD 1 79 TYR QD . . 4.420 4.258 4.007 4.413 . 0 0 "[ . 1 . 2]" 1
384 1 43 ILE MD 1 79 TYR QE . . 4.190 2.885 2.765 3.010 . 0 0 "[ . 1 . 2]" 1
385 1 43 ILE QG 1 79 TYR QD . . 4.300 4.004 3.734 4.276 . 0 0 "[ . 1 . 2]" 1
386 1 43 ILE QG 1 79 TYR QE . . 4.040 2.202 2.114 2.377 . 0 0 "[ . 1 . 2]" 1
387 1 43 ILE HG12 1 79 TYR QE . . 4.700 2.633 2.406 2.940 . 0 0 "[ . 1 . 2]" 1
388 1 43 ILE HG13 1 79 TYR QE . . 4.700 2.366 2.278 2.510 . 0 0 "[ . 1 . 2]" 1
389 1 43 ILE MG 1 44 GLY H . . 4.570 3.668 3.145 4.033 . 0 0 "[ . 1 . 2]" 1
390 1 43 ILE MG 1 44 GLY QA . . 4.750 3.486 3.253 3.945 . 0 0 "[ . 1 . 2]" 1
391 1 43 ILE MG 1 66 PHE QD . . 5.280 4.034 3.676 4.378 . 0 0 "[ . 1 . 2]" 1
392 1 43 ILE MG 1 66 PHE QE . . 4.350 2.971 2.573 3.169 . 0 0 "[ . 1 . 2]" 1
393 1 43 ILE MG 1 66 PHE HZ . . 4.580 4.456 4.092 4.594 0.014 14 0 "[ . 1 . 2]" 1
394 1 43 ILE MG 1 71 ASP QB . . 4.100 2.701 2.107 4.080 . 0 0 "[ . 1 . 2]" 1
395 1 43 ILE MG 1 74 ARG HA . . 5.370 5.124 4.565 5.405 0.035 12 0 "[ . 1 . 2]" 1
396 1 43 ILE MG 1 75 ALA H . . 4.470 3.045 2.722 3.166 . 0 0 "[ . 1 . 2]" 1
397 1 43 ILE MG 1 75 ALA MB . . 3.390 2.270 2.107 2.573 . 0 0 "[ . 1 . 2]" 1
398 1 43 ILE MG 1 79 TYR QE . . 4.350 4.346 4.289 4.367 0.017 8 0 "[ . 1 . 2]" 1
399 1 44 GLY H 1 45 LYS H . . 5.590 3.374 1.954 4.404 . 0 0 "[ . 1 . 2]" 1
400 1 44 GLY H 1 66 PHE QE . . 4.910 4.444 3.283 4.916 0.006 6 0 "[ . 1 . 2]" 1
401 1 45 LYS H 1 45 LYS QB . . 3.230 2.762 2.264 3.069 . 0 0 "[ . 1 . 2]" 1
402 1 45 LYS H 1 45 LYS HG2 . . 5.520 4.547 3.404 4.928 . 0 0 "[ . 1 . 2]" 1
403 1 45 LYS H 1 45 LYS QG . . 4.710 3.971 2.190 4.384 . 0 0 "[ . 1 . 2]" 1
404 1 45 LYS H 1 45 LYS HG3 . . 5.520 4.488 2.217 5.177 . 0 0 "[ . 1 . 2]" 1
405 1 45 LYS H 1 46 VAL H . . 5.630 4.007 3.408 4.363 . 0 0 "[ . 1 . 2]" 1
406 1 45 LYS HA 1 45 LYS HD2 . . 5.110 4.454 3.585 4.790 . 0 0 "[ . 1 . 2]" 1
407 1 45 LYS HA 1 45 LYS QD . . 4.320 3.797 2.486 4.255 . 0 0 "[ . 1 . 2]" 1
408 1 45 LYS HA 1 45 LYS HD3 . . 5.110 4.206 2.535 4.845 . 0 0 "[ . 1 . 2]" 1
409 1 45 LYS HA 1 45 LYS QE . . 5.530 4.404 3.793 4.986 . 0 0 "[ . 1 . 2]" 1
410 1 45 LYS HA 1 45 LYS HG2 . . 4.110 2.880 2.290 3.276 . 0 0 "[ . 1 . 2]" 1
411 1 45 LYS HA 1 45 LYS QG . . 3.610 2.341 2.254 2.460 . 0 0 "[ . 1 . 2]" 1
412 1 45 LYS HA 1 45 LYS HG3 . . 4.110 2.756 2.303 3.654 . 0 0 "[ . 1 . 2]" 1
413 1 45 LYS HA 1 46 VAL H . . 3.220 2.167 2.092 2.234 . 0 0 "[ . 1 . 2]" 1
414 1 45 LYS HA 1 46 VAL QG . . 4.570 4.198 3.969 4.371 . 0 0 "[ . 1 . 2]" 1
415 1 45 LYS HA 1 67 THR MG . . 4.790 4.634 4.299 4.816 0.026 3 0 "[ . 1 . 2]" 1
416 1 45 LYS QB 1 45 LYS QD . . 2.820 2.318 2.093 2.467 . 0 0 "[ . 1 . 2]" 1
417 1 45 LYS QB 1 67 THR MG . . 3.590 2.515 2.101 3.206 . 0 0 "[ . 1 . 2]" 1
418 1 45 LYS QE 1 47 VAL QG . . 5.090 3.570 2.172 4.927 . 0 0 "[ . 1 . 2]" 1
419 1 45 LYS QG 1 46 VAL H . . 4.110 3.390 2.574 4.141 0.031 13 0 "[ . 1 . 2]" 1
420 1 46 VAL H 1 46 VAL HB . . 3.590 2.398 2.318 2.663 . 0 0 "[ . 1 . 2]" 1
421 1 46 VAL H 1 46 VAL MG1 . . 4.750 3.637 2.754 3.826 . 0 0 "[ . 1 . 2]" 1
422 1 46 VAL H 1 46 VAL QG . . 3.790 2.632 2.361 2.773 . 0 0 "[ . 1 . 2]" 1
423 1 46 VAL H 1 46 VAL MG2 . . 4.750 2.840 2.385 3.871 . 0 0 "[ . 1 . 2]" 1
424 1 46 VAL H 1 47 VAL H . . 5.190 4.552 4.513 4.600 . 0 0 "[ . 1 . 2]" 1
425 1 46 VAL HA 1 46 VAL MG1 . . 3.690 2.671 2.525 3.207 . 0 0 "[ . 1 . 2]" 1
426 1 46 VAL HA 1 46 VAL QG . . 3.110 2.135 2.080 2.161 . 0 0 "[ . 1 . 2]" 1
427 1 46 VAL HA 1 46 VAL MG2 . . 3.690 2.265 2.107 2.344 . 0 0 "[ . 1 . 2]" 1
428 1 46 VAL HA 1 66 PHE HA . . 3.870 2.464 2.049 2.937 . 0 0 "[ . 1 . 2]" 1
429 1 46 VAL HA 1 66 PHE QD . . 4.390 3.836 3.578 4.158 . 0 0 "[ . 1 . 2]" 1
430 1 46 VAL HA 1 66 PHE QE . . 4.570 4.618 4.575 4.655 0.085 12 0 "[ . 1 . 2]" 1
431 1 46 VAL HB 1 64 VAL QG . . 5.420 3.970 3.879 4.142 . 0 0 "[ . 1 . 2]" 1
432 1 46 VAL QG 1 47 VAL H . . 4.310 2.618 2.409 2.722 . 0 0 "[ . 1 . 2]" 1
433 1 46 VAL QG 1 48 ARG H . . 3.810 2.332 2.032 2.917 . 0 0 "[ . 1 . 2]" 1
434 1 46 VAL QG 1 48 ARG HA . . 4.630 3.371 2.847 4.153 . 0 0 "[ . 1 . 2]" 1
435 1 46 VAL QG 1 49 ALA HA . . 4.610 3.829 3.583 4.491 . 0 0 "[ . 1 . 2]" 1
436 1 46 VAL QG 1 49 ALA MB . . 3.630 2.501 2.186 3.080 . 0 0 "[ . 1 . 2]" 1
437 1 46 VAL QG 1 64 VAL HA . . 5.010 3.728 3.459 4.036 . 0 0 "[ . 1 . 2]" 1
438 1 46 VAL QG 1 64 VAL QG . . 3.070 1.844 1.783 1.970 . 0 0 "[ . 1 . 2]" 1
439 1 46 VAL QG 1 65 GLU H . . 4.520 2.934 2.739 3.366 . 0 0 "[ . 1 . 2]" 1
440 1 46 VAL QG 1 66 PHE HA . . 4.630 3.497 2.734 3.938 . 0 0 "[ . 1 . 2]" 1
441 1 46 VAL QG 1 66 PHE QD . . 4.220 3.270 2.861 3.760 . 0 0 "[ . 1 . 2]" 1
442 1 46 VAL QG 1 66 PHE QE . . 3.560 2.999 2.636 3.308 . 0 0 "[ . 1 . 2]" 1
443 1 46 VAL QG 1 66 PHE HZ . . 4.810 3.632 3.387 3.940 . 0 0 "[ . 1 . 2]" 1
444 1 46 VAL MG1 1 49 ALA H . . 5.500 3.564 3.121 5.058 . 0 0 "[ . 1 . 2]" 1
445 1 46 VAL MG1 1 49 ALA MB . . 4.200 2.567 2.213 3.352 . 0 0 "[ . 1 . 2]" 1
446 1 46 VAL MG1 1 64 VAL MG1 . . 4.410 2.240 2.035 3.070 . 0 0 "[ . 1 . 2]" 1
447 1 46 VAL MG1 1 64 VAL MG2 . . 4.410 3.930 3.697 4.434 0.024 14 0 "[ . 1 . 2]" 1
448 1 46 VAL MG1 1 66 PHE HA . . 5.270 4.302 3.778 5.207 . 0 0 "[ . 1 . 2]" 1
449 1 46 VAL MG1 1 66 PHE QD . . 5.580 4.535 4.081 5.318 . 0 0 "[ . 1 . 2]" 1
450 1 46 VAL MG1 1 66 PHE QE . . 4.850 4.716 4.391 4.890 0.040 14 0 "[ . 1 . 2]" 1
451 1 46 VAL MG2 1 49 ALA H . . 5.500 5.546 5.522 5.564 0.064 7 0 "[ . 1 . 2]" 1
452 1 46 VAL MG2 1 49 ALA MB . . 4.200 3.635 3.385 3.984 . 0 0 "[ . 1 . 2]" 1
453 1 46 VAL MG2 1 64 VAL MG1 . . 4.410 2.031 1.841 2.226 . 0 0 "[ . 1 . 2]" 1
454 1 46 VAL MG2 1 64 VAL MG2 . . 4.410 3.747 3.497 4.051 . 0 0 "[ . 1 . 2]" 1
455 1 46 VAL MG2 1 66 PHE HA . . 5.270 3.766 2.755 4.300 . 0 0 "[ . 1 . 2]" 1
456 1 46 VAL MG2 1 66 PHE QD . . 5.580 3.371 2.876 3.907 . 0 0 "[ . 1 . 2]" 1
457 1 46 VAL MG2 1 66 PHE QE . . 4.850 3.036 2.647 3.366 . 0 0 "[ . 1 . 2]" 1
458 1 47 VAL H 1 47 VAL HB . . 4.080 3.267 2.409 3.797 . 0 0 "[ . 1 . 2]" 1
459 1 47 VAL H 1 47 VAL MG1 . . 3.820 3.231 2.328 3.851 0.031 2 0 "[ . 1 . 2]" 1
460 1 47 VAL H 1 47 VAL MG2 . . 3.820 2.492 2.088 3.881 0.061 3 0 "[ . 1 . 2]" 1
461 1 47 VAL H 1 48 ARG H . . 3.750 2.183 2.065 2.292 . 0 0 "[ . 1 . 2]" 1
462 1 47 VAL H 1 48 ARG QB . . 4.690 4.515 4.153 4.723 0.033 2 0 "[ . 1 . 2]" 1
463 1 47 VAL H 1 66 PHE HA . . 4.860 2.760 2.298 3.082 . 0 0 "[ . 1 . 2]" 1
464 1 47 VAL HA 1 47 VAL MG1 . . 3.260 2.422 2.134 3.282 0.022 3 0 "[ . 1 . 2]" 1
465 1 47 VAL HA 1 47 VAL MG2 . . 3.260 2.859 2.170 3.260 . 0 0 "[ . 1 . 2]" 1
466 1 47 VAL HA 1 67 THR MG . . 5.380 4.017 3.333 4.655 . 0 0 "[ . 1 . 2]" 1
467 1 47 VAL HB 1 48 ARG H . . 3.870 3.599 2.737 3.972 0.102 7 0 "[ . 1 . 2]" 1
468 1 47 VAL QG 1 48 ARG H . . 4.270 2.879 2.557 3.523 . 0 0 "[ . 1 . 2]" 1
469 1 47 VAL QG 1 48 ARG QB . . 5.730 3.243 2.303 4.085 . 0 0 "[ . 1 . 2]" 1
470 1 47 VAL QG 1 48 ARG QD . . 4.780 4.433 4.091 4.822 0.042 15 0 "[ . 1 . 2]" 1
471 1 47 VAL QG 1 48 ARG QG . . 4.300 3.958 2.887 4.371 0.071 13 0 "[ . 1 . 2]" 1
472 1 47 VAL QG 1 65 GLU H . . 5.840 4.283 4.086 4.770 . 0 0 "[ . 1 . 2]" 1
473 1 47 VAL QG 1 65 GLU QB . . 3.530 2.552 2.081 3.492 . 0 0 "[ . 1 . 2]" 1
474 1 47 VAL QG 1 65 GLU QG . . 4.210 3.704 2.112 4.238 0.028 10 0 "[ . 1 . 2]" 1
475 1 47 VAL QG 1 66 PHE H . . 5.730 3.597 3.239 4.014 . 0 0 "[ . 1 . 2]" 1
476 1 47 VAL QG 1 66 PHE HA . . 4.380 2.836 2.213 3.545 . 0 0 "[ . 1 . 2]" 1
477 1 47 VAL QG 1 67 THR HA . . 3.630 3.000 2.364 3.534 . 0 0 "[ . 1 . 2]" 1
478 1 47 VAL QG 1 67 THR HB . . 4.210 3.956 3.478 4.225 0.015 17 0 "[ . 1 . 2]" 1
479 1 47 VAL MG1 1 65 GLU HB2 . . 5.840 4.800 2.377 5.857 0.017 11 0 "[ . 1 . 2]" 1
480 1 47 VAL MG1 1 65 GLU HB3 . . 5.840 4.552 2.308 5.804 . 0 0 "[ . 1 . 2]" 1
481 1 47 VAL MG1 1 67 THR H . . 5.540 4.264 3.627 5.069 . 0 0 "[ . 1 . 2]" 1
482 1 47 VAL MG1 1 67 THR HB . . 4.790 4.572 4.075 4.897 0.107 10 0 "[ . 1 . 2]" 1
483 1 47 VAL MG1 1 67 THR MG . . 3.350 2.408 1.893 3.242 . 0 0 "[ . 1 . 2]" 1
484 1 47 VAL MG2 1 65 GLU HB2 . . 5.840 3.648 2.516 5.187 . 0 0 "[ . 1 . 2]" 1
485 1 47 VAL MG2 1 65 GLU HB3 . . 5.840 3.439 2.470 5.298 . 0 0 "[ . 1 . 2]" 1
486 1 47 VAL MG2 1 67 THR H . . 5.540 3.539 2.505 5.317 . 0 0 "[ . 1 . 2]" 1
487 1 47 VAL MG2 1 67 THR HB . . 4.790 4.484 3.559 4.873 0.083 13 0 "[ . 1 . 2]" 1
488 1 47 VAL MG2 1 67 THR MG . . 3.350 2.493 1.858 3.219 . 0 0 "[ . 1 . 2]" 1
489 1 48 ARG H 1 48 ARG QD . . 5.810 4.946 4.280 5.419 . 0 0 "[ . 1 . 2]" 1
490 1 48 ARG H 1 48 ARG HG2 . . 5.490 4.609 3.616 5.141 . 0 0 "[ . 1 . 2]" 1
491 1 48 ARG H 1 48 ARG HG3 . . 5.490 4.338 3.566 4.916 . 0 0 "[ . 1 . 2]" 1
492 1 48 ARG H 1 65 GLU H . . 4.700 3.062 2.801 3.389 . 0 0 "[ . 1 . 2]" 1
493 1 48 ARG HA 1 48 ARG QD . . 4.980 3.755 2.193 4.262 . 0 0 "[ . 1 . 2]" 1
494 1 48 ARG HA 1 49 ALA H . . 3.340 2.232 2.166 2.318 . 0 0 "[ . 1 . 2]" 1
495 1 48 ARG QG 1 49 ALA H . . 5.520 3.440 2.562 4.653 . 0 0 "[ . 1 . 2]" 1
496 1 49 ALA H 1 50 ASP H . . 5.790 4.460 4.298 4.599 . 0 0 "[ . 1 . 2]" 1
497 1 49 ALA HA 1 50 ASP H . . 3.520 2.280 2.191 2.529 . 0 0 "[ . 1 . 2]" 1
498 1 49 ALA HA 1 64 VAL HA . . 3.550 2.182 2.053 2.520 . 0 0 "[ . 1 . 2]" 1
499 1 49 ALA HA 1 64 VAL MG1 . . 4.880 3.069 2.314 3.623 . 0 0 "[ . 1 . 2]" 1
500 1 49 ALA HA 1 64 VAL QG . . 4.220 2.642 2.303 3.178 . 0 0 "[ . 1 . 2]" 1
501 1 49 ALA HA 1 64 VAL MG2 . . 4.880 2.969 2.580 4.169 . 0 0 "[ . 1 . 2]" 1
502 1 49 ALA HA 1 65 GLU H . . 4.800 3.498 2.923 3.776 . 0 0 "[ . 1 . 2]" 1
503 1 49 ALA MB 1 50 ASP H . . 4.110 2.722 2.398 2.923 . 0 0 "[ . 1 . 2]" 1
504 1 49 ALA MB 1 64 VAL HA . . 6.000 3.232 2.807 3.573 . 0 0 "[ . 1 . 2]" 1
505 1 49 ALA MB 1 64 VAL MG1 . . 4.280 2.304 1.990 2.506 . 0 0 "[ . 1 . 2]" 1
506 1 49 ALA MB 1 64 VAL QG . . 3.340 2.042 1.955 2.148 . 0 0 "[ . 1 . 2]" 1
507 1 49 ALA MB 1 64 VAL MG2 . . 4.280 2.360 2.148 3.895 . 0 0 "[ . 1 . 2]" 1
508 1 49 ALA MB 1 65 GLU H . . 4.590 4.098 3.793 4.345 . 0 0 "[ . 1 . 2]" 1
509 1 50 ASP H 1 51 ILE H . . 5.780 4.180 2.432 4.400 . 0 0 "[ . 1 . 2]" 1
510 1 50 ASP H 1 51 ILE MD . . 5.370 4.561 2.801 5.375 0.005 2 0 "[ . 1 . 2]" 1
511 1 50 ASP H 1 63 THR H . . 6.000 3.071 2.843 3.287 . 0 0 "[ . 1 . 2]" 1
512 1 50 ASP H 1 64 VAL HA . . 4.760 3.659 3.487 4.455 . 0 0 "[ . 1 . 2]" 1
513 1 50 ASP HA 1 51 ILE H . . 3.500 2.272 2.088 3.536 0.036 18 0 "[ . 1 . 2]" 1
514 1 50 ASP QB 1 51 ILE H . . 4.250 3.412 2.245 3.814 . 0 0 "[ . 1 . 2]" 1
515 1 50 ASP QB 1 63 THR H . . 5.140 3.663 3.131 4.361 . 0 0 "[ . 1 . 2]" 1
516 1 50 ASP HB2 1 63 THR H . . 5.880 4.845 3.226 5.795 . 0 0 "[ . 1 . 2]" 1
517 1 50 ASP HB3 1 63 THR H . . 5.880 3.974 3.175 4.930 . 0 0 "[ . 1 . 2]" 1
518 1 51 ILE H 1 51 ILE HB . . 3.940 2.971 2.542 3.835 . 0 0 "[ . 1 . 2]" 1
519 1 51 ILE H 1 51 ILE MD . . 4.890 4.279 2.882 4.747 . 0 0 "[ . 1 . 2]" 1
520 1 51 ILE H 1 51 ILE HG12 . . 4.830 3.751 2.605 4.512 . 0 0 "[ . 1 . 2]" 1
521 1 51 ILE H 1 51 ILE QG . . 4.170 3.146 2.576 3.938 . 0 0 "[ . 1 . 2]" 1
522 1 51 ILE H 1 51 ILE HG13 . . 4.830 3.671 3.019 4.524 . 0 0 "[ . 1 . 2]" 1
523 1 51 ILE H 1 51 ILE MG . . 4.620 3.979 3.798 4.093 . 0 0 "[ . 1 . 2]" 1
524 1 51 ILE HA 1 51 ILE MD . . 3.910 3.346 2.218 3.926 0.016 5 0 "[ . 1 . 2]" 1
525 1 51 ILE HA 1 62 GLY QA . . 4.410 2.335 2.011 2.701 . 0 0 "[ . 1 . 2]" 1
526 1 51 ILE HA 1 63 THR H . . 5.420 3.735 3.356 4.243 . 0 0 "[ . 1 . 2]" 1
527 1 51 ILE MD 1 51 ILE MG . . 3.760 2.146 2.032 3.294 . 0 0 "[ . 1 . 2]" 1
528 1 51 ILE MD 1 62 GLY QA . . 5.170 2.891 1.953 4.052 . 0 0 "[ . 1 . 2]" 1
529 1 51 ILE MD 1 63 THR H . . 5.880 4.029 2.239 4.987 . 0 0 "[ . 1 . 2]" 1
530 1 51 ILE MG 1 52 ILE HA . . 5.920 3.737 2.842 4.473 . 0 0 "[ . 1 . 2]" 1
531 1 51 ILE MG 1 53 THR MG . . 4.330 3.535 2.054 4.394 0.064 11 0 "[ . 1 . 2]" 1
532 1 52 ILE H 1 52 ILE QG . . 4.820 3.167 2.050 4.103 . 0 0 "[ . 1 . 2]" 1
533 1 52 ILE HA 1 52 ILE MD . . 4.310 3.386 2.161 4.215 . 0 0 "[ . 1 . 2]" 1
534 1 52 ILE HA 1 53 THR MG . . 3.970 3.645 2.869 3.984 0.014 18 0 "[ . 1 . 2]" 1
535 1 57 HIS HA 1 57 HIS HD2 . . 4.470 3.528 2.261 4.498 0.028 1 0 "[ . 1 . 2]" 1
536 1 61 MET H 1 61 MET QG . . 4.400 2.650 2.034 3.198 . 0 0 "[ . 1 . 2]" 1
537 1 61 MET QG 1 62 GLY H . . 5.720 3.935 3.459 4.312 . 0 0 "[ . 1 . 2]" 1
538 1 63 THR H 1 63 THR MG . . 4.710 3.660 3.174 4.039 . 0 0 "[ . 1 . 2]" 1
539 1 63 THR HA 1 64 VAL QG . . 5.300 3.418 3.259 3.671 . 0 0 "[ . 1 . 2]" 1
540 1 64 VAL H 1 64 VAL HB . . 4.140 3.014 2.844 3.783 . 0 0 "[ . 1 . 2]" 1
541 1 64 VAL H 1 65 GLU H . . 5.220 4.337 3.863 4.444 . 0 0 "[ . 1 . 2]" 1
542 1 64 VAL HB 1 66 PHE QD . . 3.980 3.912 3.201 4.029 0.049 14 0 "[ . 1 . 2]" 1
543 1 64 VAL HB 1 66 PHE QE . . 4.170 3.048 2.693 3.343 . 0 0 "[ . 1 . 2]" 1
544 1 64 VAL QG 1 65 GLU H . . 4.070 2.421 2.199 3.210 . 0 0 "[ . 1 . 2]" 1
545 1 64 VAL QG 1 66 PHE QD . . 4.960 2.886 2.505 3.841 . 0 0 "[ . 1 . 2]" 1
546 1 64 VAL QG 1 66 PHE QE . . 3.980 2.560 2.297 2.906 . 0 0 "[ . 1 . 2]" 1
547 1 64 VAL QG 1 66 PHE HZ . . 4.740 4.000 3.476 4.366 . 0 0 "[ . 1 . 2]" 1
548 1 64 VAL MG1 1 65 GLU H . . 5.200 2.442 2.210 3.314 . 0 0 "[ . 1 . 2]" 1
549 1 64 VAL MG1 1 66 PHE QE . . 4.560 2.631 2.310 3.780 . 0 0 "[ . 1 . 2]" 1
550 1 64 VAL MG2 1 65 GLU H . . 5.200 4.081 3.936 4.300 . 0 0 "[ . 1 . 2]" 1
551 1 64 VAL MG2 1 66 PHE QE . . 4.560 4.011 3.020 4.340 . 0 0 "[ . 1 . 2]" 1
552 1 65 GLU H 1 65 GLU HG2 . . 5.710 3.989 2.303 4.528 . 0 0 "[ . 1 . 2]" 1
553 1 65 GLU H 1 65 GLU QG . . 5.010 3.175 2.283 4.086 . 0 0 "[ . 1 . 2]" 1
554 1 65 GLU H 1 65 GLU HG3 . . 5.710 3.459 2.732 4.692 . 0 0 "[ . 1 . 2]" 1
555 1 65 GLU QG 1 66 PHE H . . 4.660 3.750 2.591 4.692 0.032 15 0 "[ . 1 . 2]" 1
556 1 65 GLU HG2 1 66 PHE H . . 5.340 3.984 2.781 5.174 . 0 0 "[ . 1 . 2]" 1
557 1 65 GLU HG3 1 66 PHE H . . 5.340 4.607 2.966 5.372 0.032 15 0 "[ . 1 . 2]" 1
558 1 66 PHE H 1 66 PHE QD . . 4.450 2.794 2.452 3.158 . 0 0 "[ . 1 . 2]" 1
559 1 66 PHE HA 1 66 PHE QD . . 3.880 3.116 2.947 3.308 . 0 0 "[ . 1 . 2]" 1
560 1 66 PHE HA 1 66 PHE QE . . 5.290 4.747 4.577 4.964 . 0 0 "[ . 1 . 2]" 1
561 1 66 PHE HA 1 67 THR MG . . 5.070 3.702 3.363 3.875 . 0 0 "[ . 1 . 2]" 1
562 1 66 PHE HA 1 68 ASN H . . 5.730 4.067 3.749 4.627 . 0 0 "[ . 1 . 2]" 1
563 1 66 PHE QB 1 67 THR H . . 3.970 2.516 2.307 2.843 . 0 0 "[ . 1 . 2]" 1
564 1 66 PHE QB 1 68 ASN H . . 4.040 2.293 1.933 2.845 . 0 0 "[ . 1 . 2]" 1
565 1 66 PHE HB2 1 67 THR H . . 4.710 3.851 3.634 4.118 . 0 0 "[ . 1 . 2]" 1
566 1 66 PHE HB2 1 68 ASN H . . 4.620 3.357 2.771 4.210 . 0 0 "[ . 1 . 2]" 1
567 1 66 PHE HB3 1 67 THR H . . 4.710 2.551 2.330 2.898 . 0 0 "[ . 1 . 2]" 1
568 1 66 PHE HB3 1 68 ASN H . . 4.620 2.343 1.970 2.905 . 0 0 "[ . 1 . 2]" 1
569 1 66 PHE QD 1 67 THR H . . 5.010 3.792 3.421 4.103 . 0 0 "[ . 1 . 2]" 1
570 1 66 PHE QD 1 71 ASP HB2 . . 5.280 4.188 2.424 5.312 0.032 20 0 "[ . 1 . 2]" 1
571 1 66 PHE QD 1 71 ASP HB3 . . 5.280 4.101 2.446 5.305 0.025 5 0 "[ . 1 . 2]" 1
572 1 66 PHE QD 1 72 VAL HA . . 4.220 3.612 2.741 4.247 0.027 3 0 "[ . 1 . 2]" 1
573 1 66 PHE QD 1 72 VAL QG . . 3.640 2.716 2.356 3.151 . 0 0 "[ . 1 . 2]" 1
574 1 66 PHE QD 1 75 ALA MB . . 4.930 4.263 3.903 4.521 . 0 0 "[ . 1 . 2]" 1
575 1 66 PHE QE 1 72 VAL HA . . 6.000 3.522 2.893 4.207 . 0 0 "[ . 1 . 2]" 1
576 1 66 PHE QE 1 75 ALA MB . . 3.610 2.714 2.345 3.128 . 0 0 "[ . 1 . 2]" 1
577 1 66 PHE HZ 1 75 ALA MB . . 3.760 2.600 2.347 2.962 . 0 0 "[ . 1 . 2]" 1
578 1 67 THR H 1 67 THR MG . . 4.240 2.349 2.179 2.479 . 0 0 "[ . 1 . 2]" 1
579 1 67 THR H 1 68 ASN H . . 4.290 2.604 2.299 2.775 . 0 0 "[ . 1 . 2]" 1
580 1 67 THR HA 1 67 THR MG . . 3.480 2.412 2.292 2.750 . 0 0 "[ . 1 . 2]" 1
581 1 68 ASN H 1 68 ASN HD21 . . 6.000 4.658 3.094 5.327 . 0 0 "[ . 1 . 2]" 1
582 1 68 ASN H 1 68 ASN QD . . 5.280 4.354 2.987 4.891 . 0 0 "[ . 1 . 2]" 1
583 1 68 ASN H 1 68 ASN HD22 . . 6.000 5.329 3.942 6.075 0.075 14 0 "[ . 1 . 2]" 1
584 1 68 ASN H 1 71 ASP QB . . 5.360 4.529 2.502 5.385 0.025 2 0 "[ . 1 . 2]" 1
585 1 68 ASN HA 1 72 VAL QG . . 4.260 4.185 2.854 4.357 0.097 14 0 "[ . 1 . 2]" 1
586 1 68 ASN QB 1 69 SER H . . 4.060 2.969 1.889 4.014 . 0 0 "[ . 1 . 2]" 1
587 1 68 ASN HB2 1 69 SER H . . 4.800 3.896 2.680 4.544 . 0 0 "[ . 1 . 2]" 1
588 1 68 ASN HB3 1 69 SER H . . 4.800 3.154 1.931 4.473 . 0 0 "[ . 1 . 2]" 1
589 1 69 SER H 1 70 ASP H . . 4.240 2.859 2.238 4.285 0.045 16 0 "[ . 1 . 2]" 1
590 1 69 SER H 1 71 ASP H . . 5.650 3.855 2.787 4.551 . 0 0 "[ . 1 . 2]" 1
591 1 69 SER H 1 72 VAL H . . 6.000 4.554 3.634 5.138 . 0 0 "[ . 1 . 2]" 1
592 1 69 SER HA 1 72 VAL H . . 4.650 4.042 3.439 4.705 0.055 16 0 "[ . 1 . 2]" 1
593 1 69 SER HA 1 72 VAL HB . . 4.720 4.249 3.081 4.764 0.044 15 0 "[ . 1 . 2]" 1
594 1 69 SER HA 1 72 VAL QG . . 3.940 2.449 1.950 3.987 0.047 16 0 "[ . 1 . 2]" 1
595 1 70 ASP H 1 70 ASP QB . . 3.580 2.391 2.160 2.741 . 0 0 "[ . 1 . 2]" 1
596 1 70 ASP H 1 71 ASP H . . 3.840 2.634 2.039 3.289 . 0 0 "[ . 1 . 2]" 1
597 1 70 ASP H 1 72 VAL H . . 5.400 3.981 2.949 4.494 . 0 0 "[ . 1 . 2]" 1
598 1 70 ASP HA 1 73 ASP H . . 5.040 3.651 2.856 4.345 . 0 0 "[ . 1 . 2]" 1
599 1 70 ASP QB 1 71 ASP H . . 3.760 2.902 2.452 3.712 . 0 0 "[ . 1 . 2]" 1
600 1 71 ASP H 1 72 VAL H . . 4.160 2.651 2.405 2.773 . 0 0 "[ . 1 . 2]" 1
601 1 72 VAL H 1 72 VAL HB . . 3.820 2.838 2.342 3.716 . 0 0 "[ . 1 . 2]" 1
602 1 72 VAL H 1 72 VAL MG1 . . 4.570 2.842 1.914 3.870 . 0 0 "[ . 1 . 2]" 1
603 1 72 VAL H 1 72 VAL QG . . 3.670 2.073 1.811 2.375 . 0 0 "[ . 1 . 2]" 1
604 1 72 VAL H 1 72 VAL MG2 . . 4.570 2.773 1.847 3.847 . 0 0 "[ . 1 . 2]" 1
605 1 72 VAL H 1 73 ASP H . . 4.260 2.667 2.473 2.932 . 0 0 "[ . 1 . 2]" 1
606 1 72 VAL HA 1 75 ALA H . . 4.960 3.521 3.166 4.195 . 0 0 "[ . 1 . 2]" 1
607 1 72 VAL HA 1 75 ALA MB . . 4.050 2.800 2.418 3.379 . 0 0 "[ . 1 . 2]" 1
608 1 72 VAL HB 1 73 ASP H . . 4.000 3.596 2.725 4.084 0.084 1 0 "[ . 1 . 2]" 1
609 1 72 VAL QG 1 73 ASP H . . 4.310 2.792 2.155 3.605 . 0 0 "[ . 1 . 2]" 1
610 1 72 VAL QG 1 73 ASP HA . . 4.280 3.689 2.997 4.138 . 0 0 "[ . 1 . 2]" 1
611 1 72 VAL QG 1 75 ALA H . . 5.060 4.490 4.145 4.974 . 0 0 "[ . 1 . 2]" 1
612 1 72 VAL MG1 1 73 ASP H . . 5.320 3.342 2.170 4.286 . 0 0 "[ . 1 . 2]" 1
613 1 72 VAL MG2 1 73 ASP H . . 5.320 3.518 2.393 4.058 . 0 0 "[ . 1 . 2]" 1
614 1 73 ASP H 1 73 ASP HB2 . . 4.200 2.528 2.209 2.751 . 0 0 "[ . 1 . 2]" 1
615 1 73 ASP H 1 73 ASP QB . . 3.630 2.278 2.186 2.385 . 0 0 "[ . 1 . 2]" 1
616 1 73 ASP H 1 73 ASP HB3 . . 4.200 2.787 2.355 3.621 . 0 0 "[ . 1 . 2]" 1
617 1 73 ASP H 1 74 ARG H . . 4.200 2.574 2.363 2.898 . 0 0 "[ . 1 . 2]" 1
618 1 73 ASP HA 1 76 ILE HB . . 4.260 3.424 2.794 4.275 0.015 16 0 "[ . 1 . 2]" 1
619 1 73 ASP HA 1 76 ILE MD . . 3.950 3.456 2.460 3.959 0.009 16 0 "[ . 1 . 2]" 1
620 1 73 ASP QB 1 74 ARG H . . 3.670 2.568 2.368 3.225 . 0 0 "[ . 1 . 2]" 1
621 1 73 ASP HB2 1 74 ARG H . . 4.440 3.565 2.414 4.214 . 0 0 "[ . 1 . 2]" 1
622 1 73 ASP HB3 1 74 ARG H . . 4.440 2.828 2.447 3.730 . 0 0 "[ . 1 . 2]" 1
623 1 74 ARG H 1 74 ARG QB . . 3.390 2.415 1.915 2.764 . 0 0 "[ . 1 . 2]" 1
624 1 74 ARG H 1 74 ARG HD2 . . 5.020 4.163 2.643 4.711 . 0 0 "[ . 1 . 2]" 1
625 1 74 ARG H 1 74 ARG HD3 . . 5.020 4.284 3.078 5.020 . 0 0 "[ . 1 . 2]" 1
626 1 74 ARG H 1 74 ARG QG . . 3.490 2.403 1.883 3.577 0.087 18 0 "[ . 1 . 2]" 1
627 1 74 ARG H 1 75 ALA H . . 3.630 2.784 2.551 2.954 . 0 0 "[ . 1 . 2]" 1
628 1 74 ARG HA 1 74 ARG HG2 . . 4.180 2.959 2.558 3.796 . 0 0 "[ . 1 . 2]" 1
629 1 74 ARG HA 1 74 ARG QG . . 3.640 2.692 2.170 3.378 . 0 0 "[ . 1 . 2]" 1
630 1 74 ARG HA 1 74 ARG HG3 . . 4.180 3.159 2.335 3.910 . 0 0 "[ . 1 . 2]" 1
631 1 74 ARG HA 1 77 ARG QB . . 4.340 2.814 2.400 4.020 . 0 0 "[ . 1 . 2]" 1
632 1 74 ARG QB 1 74 ARG QD . . 3.230 2.328 2.037 2.958 . 0 0 "[ . 1 . 2]" 1
633 1 74 ARG QB 1 74 ARG QG . . 2.240 2.097 1.983 2.131 . 0 0 "[ . 1 . 2]" 1
634 1 75 ALA H 1 75 ALA MB . . 3.190 2.212 2.169 2.281 . 0 0 "[ . 1 . 2]" 1
635 1 75 ALA H 1 76 ILE H . . 3.720 2.906 2.715 3.077 . 0 0 "[ . 1 . 2]" 1
636 1 75 ALA HA 1 79 TYR H . . 5.250 5.221 4.331 5.282 0.032 13 0 "[ . 1 . 2]" 1
637 1 75 ALA HA 1 79 TYR QD . . 4.330 3.676 3.356 3.885 . 0 0 "[ . 1 . 2]" 1
638 1 75 ALA HA 1 79 TYR QE . . 5.190 3.104 2.827 3.687 . 0 0 "[ . 1 . 2]" 1
639 1 75 ALA MB 1 76 ILE H . . 4.010 2.198 1.996 2.360 . 0 0 "[ . 1 . 2]" 1
640 1 75 ALA MB 1 76 ILE MD . . 4.190 3.377 2.051 3.891 . 0 0 "[ . 1 . 2]" 1
641 1 75 ALA MB 1 79 TYR QD . . 6.000 2.662 2.466 2.892 . 0 0 "[ . 1 . 2]" 1
642 1 75 ALA MB 1 79 TYR QE . . 4.780 2.441 2.215 2.866 . 0 0 "[ . 1 . 2]" 1
643 1 76 ILE H 1 76 ILE HB . . 3.460 2.330 2.230 2.529 . 0 0 "[ . 1 . 2]" 1
644 1 76 ILE H 1 76 ILE MD . . 3.990 2.995 1.691 3.383 . 0 0 "[ . 1 . 2]" 1
645 1 76 ILE H 1 76 ILE QG . . 3.480 2.452 2.106 3.415 . 0 0 "[ . 1 . 2]" 1
646 1 76 ILE H 1 76 ILE MG . . 4.360 3.745 3.692 3.792 . 0 0 "[ . 1 . 2]" 1
647 1 76 ILE HA 1 76 ILE MD . . 3.770 3.662 2.941 3.812 0.042 20 0 "[ . 1 . 2]" 1
648 1 76 ILE HA 1 76 ILE QG . . 3.600 2.269 2.109 2.343 . 0 0 "[ . 1 . 2]" 1
649 1 76 ILE HB 1 76 ILE MD . . 3.220 2.322 2.269 2.400 . 0 0 "[ . 1 . 2]" 1
650 1 76 ILE MD 1 76 ILE MG . . 3.130 2.305 2.047 3.157 0.027 2 0 "[ . 1 . 2]" 1
651 1 76 ILE MD 1 77 ARG H . . 4.700 4.633 3.944 4.753 0.053 13 0 "[ . 1 . 2]" 1
652 1 76 ILE QG 1 79 TYR QE . . 5.230 5.262 5.235 5.280 0.050 1 0 "[ . 1 . 2]" 1
653 1 76 ILE MG 1 77 ARG H . . 4.450 3.418 2.950 3.701 . 0 0 "[ . 1 . 2]" 1
654 1 77 ARG H 1 77 ARG QB . . 3.290 2.238 2.039 2.728 . 0 0 "[ . 1 . 2]" 1
655 1 77 ARG HA 1 77 ARG HG2 . . 4.240 2.911 2.320 3.601 . 0 0 "[ . 1 . 2]" 1
656 1 77 ARG HA 1 77 ARG QG . . 3.540 2.512 2.273 3.285 . 0 0 "[ . 1 . 2]" 1
657 1 77 ARG HA 1 77 ARG HG3 . . 4.240 3.095 2.357 3.874 . 0 0 "[ . 1 . 2]" 1
658 1 78 GLN H 1 78 GLN QB . . 3.070 2.503 2.156 3.083 0.013 13 0 "[ . 1 . 2]" 1
659 1 78 GLN H 1 78 GLN HG2 . . 4.360 3.455 2.425 4.266 . 0 0 "[ . 1 . 2]" 1
660 1 78 GLN H 1 78 GLN QG . . 3.740 2.875 2.401 3.851 0.111 11 0 "[ . 1 . 2]" 1
661 1 78 GLN H 1 78 GLN HG3 . . 4.360 3.515 2.595 4.443 0.083 4 0 "[ . 1 . 2]" 1
662 1 78 GLN H 1 79 TYR H . . 4.100 2.198 2.023 2.379 . 0 0 "[ . 1 . 2]" 1
663 1 78 GLN H 1 79 TYR QD . . 5.060 4.323 4.101 4.508 . 0 0 "[ . 1 . 2]" 1
664 1 78 GLN HB2 1 79 TYR H . . 4.630 3.637 3.207 4.502 . 0 0 "[ . 1 . 2]" 1
665 1 78 GLN HB3 1 79 TYR H . . 4.630 4.126 2.750 4.583 . 0 0 "[ . 1 . 2]" 1
666 1 78 GLN QG 1 79 TYR H . . 4.940 4.283 3.396 4.563 . 0 0 "[ . 1 . 2]" 1
667 1 79 TYR H 1 80 ASP H . . 3.940 2.248 2.026 2.812 . 0 0 "[ . 1 . 2]" 1
668 1 79 TYR HA 1 79 TYR QD . . 3.720 2.213 2.140 2.292 . 0 0 "[ . 1 . 2]" 1
669 1 79 TYR HA 1 79 TYR QE . . 5.310 4.519 4.471 4.561 . 0 0 "[ . 1 . 2]" 1
670 1 79 TYR HA 1 82 ALA H . . 5.170 3.777 3.601 3.971 . 0 0 "[ . 1 . 2]" 1
671 1 79 TYR HA 1 82 ALA MB . . 3.510 2.567 2.354 2.829 . 0 0 "[ . 1 . 2]" 1
672 1 79 TYR HA 1 89 ILE MD . . 5.360 3.897 3.699 4.180 . 0 0 "[ . 1 . 2]" 1
673 1 79 TYR QB 1 82 ALA MB . . 3.880 3.223 3.001 3.335 . 0 0 "[ . 1 . 2]" 1
674 1 79 TYR QB 1 89 ILE MD . . 5.810 2.431 2.151 2.965 . 0 0 "[ . 1 . 2]" 1
675 1 79 TYR QB 1 91 VAL QG . . 4.570 3.309 2.974 3.863 . 0 0 "[ . 1 . 2]" 1
676 1 79 TYR HB2 1 82 ALA MB . . 4.570 4.533 4.353 4.591 0.021 14 0 "[ . 1 . 2]" 1
677 1 79 TYR HB3 1 82 ALA MB . . 4.570 3.298 3.059 3.430 . 0 0 "[ . 1 . 2]" 1
678 1 79 TYR QD 1 82 ALA MB . . 3.620 3.302 2.991 3.569 . 0 0 "[ . 1 . 2]" 1
679 1 79 TYR QE 1 82 ALA MB . . 6.000 5.008 4.777 5.277 . 0 0 "[ . 1 . 2]" 1
680 1 80 ASP H 1 80 ASP HB2 . . 4.020 2.467 2.272 2.576 . 0 0 "[ . 1 . 2]" 1
681 1 80 ASP H 1 80 ASP HB3 . . 4.020 2.741 2.501 3.599 . 0 0 "[ . 1 . 2]" 1
682 1 80 ASP HA 1 82 ALA H . . 6.000 3.458 3.376 3.734 . 0 0 "[ . 1 . 2]" 1
683 1 80 ASP HA 1 91 VAL H . . 4.460 3.687 3.418 4.502 0.042 16 0 "[ . 1 . 2]" 1
684 1 80 ASP HA 1 91 VAL QG . . 4.080 2.762 2.305 3.581 . 0 0 "[ . 1 . 2]" 1
685 1 81 GLY H 1 82 ALA H . . 4.090 2.549 2.468 2.818 . 0 0 "[ . 1 . 2]" 1
686 1 81 GLY H 1 90 PHE HA . . 4.620 3.125 2.575 4.047 . 0 0 "[ . 1 . 2]" 1
687 1 81 GLY QA 1 83 PHE H . . 4.410 4.475 4.436 4.499 0.089 19 0 "[ . 1 . 2]" 1
688 1 81 GLY QA 1 83 PHE QD . . 4.840 4.811 4.281 4.888 0.048 7 0 "[ . 1 . 2]" 1
689 1 82 ALA H 1 82 ALA MB . . 3.550 2.268 2.251 2.285 . 0 0 "[ . 1 . 2]" 1
690 1 82 ALA HA 1 83 PHE H . . 3.360 2.171 2.139 2.242 . 0 0 "[ . 1 . 2]" 1
691 1 82 ALA HA 1 83 PHE QD . . 5.090 4.103 3.724 4.377 . 0 0 "[ . 1 . 2]" 1
692 1 82 ALA MB 1 83 PHE H . . 3.710 3.513 3.481 3.601 . 0 0 "[ . 1 . 2]" 1
693 1 82 ALA MB 1 84 PHE QD . . 5.860 3.143 2.864 3.672 . 0 0 "[ . 1 . 2]" 1
694 1 82 ALA MB 1 84 PHE QE . . 4.530 4.564 4.547 4.577 0.047 14 0 "[ . 1 . 2]" 1
695 1 83 PHE H 1 83 PHE HB2 . . 4.040 2.367 2.286 2.425 . 0 0 "[ . 1 . 2]" 1
696 1 83 PHE H 1 83 PHE QB . . 3.440 2.336 2.260 2.388 . 0 0 "[ . 1 . 2]" 1
697 1 83 PHE H 1 83 PHE HB3 . . 4.040 3.581 3.551 3.603 . 0 0 "[ . 1 . 2]" 1
698 1 83 PHE H 1 83 PHE QD . . 4.450 2.348 1.998 2.618 . 0 0 "[ . 1 . 2]" 1
699 1 83 PHE H 1 84 PHE H . . 5.450 4.506 4.392 4.616 . 0 0 "[ . 1 . 2]" 1
700 1 83 PHE HA 1 83 PHE QD . . 4.350 2.935 2.766 3.180 . 0 0 "[ . 1 . 2]" 1
701 1 83 PHE HA 1 84 PHE H . . 3.480 2.113 2.062 2.151 . 0 0 "[ . 1 . 2]" 1
702 1 83 PHE HA 1 87 ARG H . . 5.400 4.081 3.835 4.786 . 0 0 "[ . 1 . 2]" 1
703 1 83 PHE HA 1 88 LYS HA . . 3.950 2.312 2.093 3.519 . 0 0 "[ . 1 . 2]" 1
704 1 83 PHE HA 1 89 ILE H . . 5.000 3.641 3.286 4.807 . 0 0 "[ . 1 . 2]" 1
705 1 83 PHE HB2 1 84 PHE H . . 5.170 4.400 4.260 4.531 . 0 0 "[ . 1 . 2]" 1
706 1 83 PHE HB3 1 84 PHE H . . 5.170 3.487 3.117 3.770 . 0 0 "[ . 1 . 2]" 1
707 1 83 PHE QD 1 84 PHE H . . 5.130 4.063 3.267 4.545 . 0 0 "[ . 1 . 2]" 1
708 1 83 PHE QD 1 86 ASP HA . . 4.540 3.654 3.196 4.061 . 0 0 "[ . 1 . 2]" 1
709 1 83 PHE QD 1 87 ARG HA . . 4.950 3.197 2.478 4.692 . 0 0 "[ . 1 . 2]" 1
710 1 83 PHE QD 1 88 LYS HA . . 5.510 3.967 3.560 4.280 . 0 0 "[ . 1 . 2]" 1
711 1 83 PHE QD 1 88 LYS QB . . 5.460 3.915 3.265 5.146 . 0 0 "[ . 1 . 2]" 1
712 1 83 PHE QD 1 88 LYS QD . . 5.070 3.901 3.145 5.094 0.024 11 0 "[ . 1 . 2]" 1
713 1 83 PHE QE 1 86 ASP HA . . 5.640 5.536 5.221 5.655 0.015 16 0 "[ . 1 . 2]" 1
714 1 83 PHE QE 1 88 LYS HA . . 6.000 4.805 3.505 5.322 . 0 0 "[ . 1 . 2]" 1
715 1 83 PHE QE 1 88 LYS QB . . 4.400 3.699 2.997 4.455 0.055 20 0 "[ . 1 . 2]" 1
716 1 83 PHE QE 1 88 LYS QE . . 4.360 3.292 2.157 4.364 0.004 17 0 "[ . 1 . 2]" 1
717 1 83 PHE QE 1 88 LYS QG . . 4.450 3.532 2.679 4.452 0.002 19 0 "[ . 1 . 2]" 1
718 1 84 PHE H 1 84 PHE QD . . 5.360 4.338 4.234 4.398 . 0 0 "[ . 1 . 2]" 1
719 1 84 PHE H 1 87 ARG H . . 4.350 2.803 2.569 3.092 . 0 0 "[ . 1 . 2]" 1
720 1 84 PHE HA 1 84 PHE QD . . 3.950 2.803 2.429 3.239 . 0 0 "[ . 1 . 2]" 1
721 1 84 PHE HA 1 84 PHE QE . . 5.290 4.545 4.231 4.862 . 0 0 "[ . 1 . 2]" 1
722 1 84 PHE HA 1 89 ILE MD . . 5.550 5.508 4.926 5.591 0.041 14 0 "[ . 1 . 2]" 1
723 1 84 PHE QB 1 89 ILE MG . . 3.750 1.976 1.881 2.130 . 0 0 "[ . 1 . 2]" 1
724 1 84 PHE HB2 1 85 MET H . . 6.000 4.561 4.519 4.608 . 0 0 "[ . 1 . 2]" 1
725 1 84 PHE HB2 1 89 ILE MD . . 4.720 3.338 2.637 3.552 . 0 0 "[ . 1 . 2]" 1
726 1 84 PHE HB2 1 89 ILE MG . . 4.630 2.254 2.152 2.442 . 0 0 "[ . 1 . 2]" 1
727 1 84 PHE HB3 1 85 MET H . . 6.000 4.277 4.036 4.409 . 0 0 "[ . 1 . 2]" 1
728 1 84 PHE HB3 1 89 ILE MD . . 4.720 4.014 3.582 4.265 . 0 0 "[ . 1 . 2]" 1
729 1 84 PHE HB3 1 89 ILE MG . . 4.630 2.192 2.075 2.347 . 0 0 "[ . 1 . 2]" 1
730 1 84 PHE QD 1 85 MET H . . 4.760 3.959 3.497 4.148 . 0 0 "[ . 1 . 2]" 1
731 1 84 PHE QD 1 89 ILE MD . . 6.000 3.573 2.539 4.127 . 0 0 "[ . 1 . 2]" 1
732 1 84 PHE QD 1 89 ILE MG . . 4.190 3.056 2.732 3.556 . 0 0 "[ . 1 . 2]" 1
733 1 85 MET H 1 85 MET HG2 . . 4.910 3.977 2.855 4.898 . 0 0 "[ . 1 . 2]" 1
734 1 85 MET H 1 85 MET QG . . 4.320 3.401 2.591 4.101 . 0 0 "[ . 1 . 2]" 1
735 1 85 MET H 1 85 MET HG3 . . 4.910 3.999 2.678 4.936 0.026 11 0 "[ . 1 . 2]" 1
736 1 85 MET H 1 86 ASP H . . 4.450 2.731 2.627 2.990 . 0 0 "[ . 1 . 2]" 1
737 1 85 MET HA 1 85 MET QG . . 3.710 2.517 2.286 3.107 . 0 0 "[ . 1 . 2]" 1
738 1 86 ASP H 1 87 ARG H . . 4.200 2.862 2.550 3.032 . 0 0 "[ . 1 . 2]" 1
739 1 86 ASP QB 1 87 ARG H . . 4.380 3.605 3.444 3.720 . 0 0 "[ . 1 . 2]" 1
740 1 87 ARG H 1 87 ARG HG2 . . 5.160 4.212 2.874 5.101 . 0 0 "[ . 1 . 2]" 1
741 1 87 ARG H 1 87 ARG QG . . 4.430 3.556 2.770 4.394 . 0 0 "[ . 1 . 2]" 1
742 1 87 ARG H 1 87 ARG HG3 . . 5.160 4.065 2.834 5.095 . 0 0 "[ . 1 . 2]" 1
743 1 87 ARG H 1 88 LYS H . . 5.020 4.479 4.391 4.532 . 0 0 "[ . 1 . 2]" 1
744 1 87 ARG HA 1 87 ARG HD2 . . 5.540 4.104 2.310 4.823 . 0 0 "[ . 1 . 2]" 1
745 1 87 ARG HA 1 87 ARG QD . . 4.740 3.476 2.147 4.181 . 0 0 "[ . 1 . 2]" 1
746 1 87 ARG HA 1 87 ARG HD3 . . 5.540 3.890 2.191 4.599 . 0 0 "[ . 1 . 2]" 1
747 1 87 ARG HA 1 88 LYS H . . 3.530 2.237 2.128 2.385 . 0 0 "[ . 1 . 2]" 1
748 1 87 ARG HB2 1 88 LYS H . . 4.200 4.064 3.733 4.258 0.058 1 0 "[ . 1 . 2]" 1
749 1 87 ARG HB3 1 88 LYS H . . 4.200 3.231 2.488 4.112 . 0 0 "[ . 1 . 2]" 1
750 1 88 LYS H 1 88 LYS HB2 . . 4.080 2.460 2.181 3.681 . 0 0 "[ . 1 . 2]" 1
751 1 88 LYS H 1 88 LYS QB . . 3.540 2.261 2.045 2.914 . 0 0 "[ . 1 . 2]" 1
752 1 88 LYS H 1 88 LYS HB3 . . 4.080 2.938 2.305 3.697 . 0 0 "[ . 1 . 2]" 1
753 1 88 LYS H 1 88 LYS HD2 . . 5.640 4.648 1.974 5.741 0.101 1 0 "[ . 1 . 2]" 1
754 1 88 LYS H 1 88 LYS HD3 . . 5.640 4.421 1.969 5.720 0.080 11 0 "[ . 1 . 2]" 1
755 1 88 LYS H 1 88 LYS QE . . 5.720 4.515 2.813 5.765 0.045 6 0 "[ . 1 . 2]" 1
756 1 88 LYS H 1 88 LYS QG . . 4.800 3.235 2.352 3.953 . 0 0 "[ . 1 . 2]" 1
757 1 88 LYS HA 1 88 LYS HD2 . . 4.540 4.247 3.049 4.597 0.057 1 0 "[ . 1 . 2]" 1
758 1 88 LYS HA 1 88 LYS QD . . 3.820 3.637 2.284 3.873 0.053 18 0 "[ . 1 . 2]" 1
759 1 88 LYS HA 1 88 LYS HD3 . . 4.540 4.055 2.327 4.570 0.030 8 0 "[ . 1 . 2]" 1
760 1 88 LYS HA 1 88 LYS QE . . 4.970 4.577 4.062 5.041 0.071 2 0 "[ . 1 . 2]" 1
761 1 88 LYS QB 1 88 LYS QE . . 4.020 3.096 2.071 3.870 . 0 0 "[ . 1 . 2]" 1
762 1 88 LYS QE 1 88 LYS QG . . 3.320 2.300 2.062 2.816 . 0 0 "[ . 1 . 2]" 1
763 1 89 ILE H 1 89 ILE MD . . 4.730 3.820 2.752 4.597 . 0 0 "[ . 1 . 2]" 1
764 1 89 ILE H 1 89 ILE HG12 . . 4.280 2.961 2.583 4.145 . 0 0 "[ . 1 . 2]" 1
765 1 89 ILE H 1 89 ILE QG . . 3.660 2.864 2.544 3.748 0.088 8 0 "[ . 1 . 2]" 1
766 1 89 ILE H 1 89 ILE HG13 . . 4.280 3.978 3.479 4.291 0.011 13 0 "[ . 1 . 2]" 1
767 1 89 ILE H 1 89 ILE MG . . 4.230 2.096 1.811 3.507 . 0 0 "[ . 1 . 2]" 1
768 1 89 ILE HB 1 90 PHE H . . 4.060 2.863 2.708 3.090 . 0 0 "[ . 1 . 2]" 1
769 1 89 ILE MD 1 89 ILE MG . . 3.410 2.062 2.011 2.101 . 0 0 "[ . 1 . 2]" 1
770 1 89 ILE MD 1 91 VAL QG . . 3.750 3.163 2.780 3.763 0.013 18 0 "[ . 1 . 2]" 1
771 1 90 PHE H 1 90 PHE QD . . 4.050 3.693 2.706 4.112 0.062 11 0 "[ . 1 . 2]" 1
772 1 90 PHE HA 1 91 VAL QG . . 5.260 3.135 2.897 3.400 . 0 0 "[ . 1 . 2]" 1
773 1 90 PHE QB 1 91 VAL QG . . 4.300 4.260 4.122 4.366 0.066 19 0 "[ . 1 . 2]" 1
774 1 91 VAL QG 1 92 ARG H . . 4.260 2.501 2.310 2.732 . 0 0 "[ . 1 . 2]" 1
775 1 91 VAL QG 1 93 GLN H . . 4.300 4.138 3.887 4.319 0.019 20 0 "[ . 1 . 2]" 1
776 1 91 VAL QG 1 93 GLN HA . . 3.750 3.785 3.660 3.815 0.065 17 0 "[ . 1 . 2]" 1
777 1 91 VAL QG 1 93 GLN QG . . 3.910 3.602 2.903 3.955 0.045 13 0 "[ . 1 . 2]" 1
778 1 92 ARG HB2 1 93 GLN H . . 4.550 4.043 2.871 4.444 . 0 0 "[ . 1 . 2]" 1
779 1 92 ARG HB3 1 93 GLN H . . 4.550 3.679 2.876 4.333 . 0 0 "[ . 1 . 2]" 1
780 1 92 ARG QG 1 93 GLN H . . 5.080 3.364 2.472 4.243 . 0 0 "[ . 1 . 2]" 1
781 1 93 GLN H 1 93 GLN QB . . 3.670 2.420 2.081 2.749 . 0 0 "[ . 1 . 2]" 1
782 1 93 GLN H 1 93 GLN QG . . 4.680 2.872 2.324 3.833 . 0 0 "[ . 1 . 2]" 1
stop_
save_