NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447133 |
2kok   |
16517 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kok
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 1460
_Distance_constraint_stats_list.Viol_count 715
_Distance_constraint_stats_list.Viol_total 150.532
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0105
_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 5 MET 0.025 0.009 14 0 "[ . 1 . 2]"
1 6 SER 0.004 0.004 14 0 "[ . 1 . 2]"
1 7 VAL 0.121 0.065 2 0 "[ . 1 . 2]"
1 8 THR 0.037 0.011 1 0 "[ . 1 . 2]"
1 9 ILE 0.263 0.058 11 0 "[ . 1 . 2]"
1 10 TYR 0.076 0.020 4 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.123 0.038 19 0 "[ . 1 . 2]"
1 13 LYS 0.012 0.004 3 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.047 0.011 9 0 "[ . 1 . 2]"
1 16 ASP 0.049 0.011 13 0 "[ . 1 . 2]"
1 17 THR 0.013 0.008 7 0 "[ . 1 . 2]"
1 18 MET 0.067 0.008 9 0 "[ . 1 . 2]"
1 19 LYS 0.117 0.065 1 0 "[ . 1 . 2]"
1 20 LYS 0.007 0.003 15 0 "[ . 1 . 2]"
1 21 ALA 0.108 0.029 17 0 "[ . 1 . 2]"
1 22 ARG 0.234 0.138 13 0 "[ . 1 . 2]"
1 23 ILE 0.037 0.016 9 0 "[ . 1 . 2]"
1 24 TRP 0.045 0.008 17 0 "[ . 1 . 2]"
1 25 LEU 0.045 0.011 17 0 "[ . 1 . 2]"
1 26 GLU 0.237 0.101 17 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 HIS 0.020 0.005 18 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ILE 0.061 0.021 16 0 "[ . 1 . 2]"
1 31 ASP 0.074 0.035 17 0 "[ . 1 . 2]"
1 32 TYR 0.389 0.058 11 0 "[ . 1 . 2]"
1 33 THR 0.010 0.006 2 0 "[ . 1 . 2]"
1 34 PHE 0.027 0.006 6 0 "[ . 1 . 2]"
1 35 HIS 0.038 0.011 1 0 "[ . 1 . 2]"
1 36 ASP 0.028 0.008 7 0 "[ . 1 . 2]"
1 37 TYR 0.026 0.020 19 0 "[ . 1 . 2]"
1 38 LYS 0.335 0.049 7 0 "[ . 1 . 2]"
1 39 LYS 0.035 0.014 7 0 "[ . 1 . 2]"
1 40 GLU 0.178 0.120 1 0 "[ . 1 . 2]"
1 41 GLY 0.066 0.014 19 0 "[ . 1 . 2]"
1 42 LEU 0.101 0.014 19 0 "[ . 1 . 2]"
1 43 ASP 0.017 0.006 14 0 "[ . 1 . 2]"
1 44 ALA 0.103 0.013 8 0 "[ . 1 . 2]"
1 45 GLU 0.002 0.001 14 0 "[ . 1 . 2]"
1 46 THR 0.003 0.001 7 0 "[ . 1 . 2]"
1 47 LEU 0.063 0.017 8 0 "[ . 1 . 2]"
1 48 ASP 0.002 0.001 14 0 "[ . 1 . 2]"
1 49 ARG 0.001 0.001 2 0 "[ . 1 . 2]"
1 50 PHE 0.028 0.005 2 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.146 0.066 1 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TRP 0.029 0.007 12 0 "[ . 1 . 2]"
1 57 GLU 0.029 0.006 10 0 "[ . 1 . 2]"
1 58 GLN 0.101 0.011 19 0 "[ . 1 . 2]"
1 59 LEU 0.171 0.066 1 0 "[ . 1 . 2]"
1 60 LEU 0.175 0.023 20 0 "[ . 1 . 2]"
1 61 ASN 0.275 0.034 18 0 "[ . 1 . 2]"
1 62 ARG 0.232 0.034 18 0 "[ . 1 . 2]"
1 63 ALA 0.045 0.030 20 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.047 0.014 10 0 "[ . 1 . 2]"
1 66 THR 0.228 0.041 12 0 "[ . 1 . 2]"
1 67 PHE 0.043 0.013 20 0 "[ . 1 . 2]"
1 68 ARG 0.237 0.030 9 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.699 0.061 20 0 "[ . 1 . 2]"
1 71 PRO 0.017 0.016 9 0 "[ . 1 . 2]"
1 72 GLU 0.062 0.015 9 0 "[ . 1 . 2]"
1 73 ASP 0.062 0.015 9 0 "[ . 1 . 2]"
1 74 VAL 0.738 0.061 20 0 "[ . 1 . 2]"
1 75 ARG 0.281 0.031 20 0 "[ . 1 . 2]"
1 76 SER 0.007 0.007 7 0 "[ . 1 . 2]"
1 77 ASN 0.016 0.005 1 0 "[ . 1 . 2]"
1 78 VAL 0.054 0.007 4 0 "[ . 1 . 2]"
1 79 ASP 0.155 0.051 20 0 "[ . 1 . 2]"
1 80 ALA 0.171 0.051 20 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.493 0.035 19 0 "[ . 1 . 2]"
1 83 ALA 0.020 0.014 15 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLU 0.487 0.035 19 0 "[ . 1 . 2]"
1 86 LEU 0.069 0.014 15 0 "[ . 1 . 2]"
1 87 MET 0.137 0.023 14 0 "[ . 1 . 2]"
1 88 LEU 0.067 0.010 15 0 "[ . 1 . 2]"
1 89 ALA 0.034 0.017 8 0 "[ . 1 . 2]"
1 90 GLN 0.008 0.002 2 0 "[ . 1 . 2]"
1 91 PRO 0.263 0.049 7 0 "[ . 1 . 2]"
1 92 SER 0.001 0.001 6 0 "[ . 1 . 2]"
1 93 MET 0.326 0.090 10 0 "[ . 1 . 2]"
1 94 VAL 0.022 0.012 14 0 "[ . 1 . 2]"
1 95 LYS 0.747 0.103 15 0 "[ . 1 . 2]"
1 96 ARG 0.723 0.103 15 0 "[ . 1 . 2]"
1 97 PRO 0.147 0.029 17 0 "[ . 1 . 2]"
1 98 VAL 1.098 0.064 8 0 "[ . 1 . 2]"
1 99 LEU 1.058 0.064 8 0 "[ . 1 . 2]"
1 100 GLU 0.010 0.005 5 0 "[ . 1 . 2]"
1 101 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.060 0.017 1 0 "[ . 1 . 2]"
1 106 MET 0.023 0.006 17 0 "[ . 1 . 2]"
1 107 VAL 0.123 0.018 11 0 "[ . 1 . 2]"
1 108 GLY 0.004 0.004 16 0 "[ . 1 . 2]"
1 110 LYS 0.004 0.004 7 0 "[ . 1 . 2]"
1 111 PRO 0.005 0.003 12 0 "[ . 1 . 2]"
1 112 ALA 0.203 0.013 14 0 "[ . 1 . 2]"
1 113 GLN 0.004 0.004 7 0 "[ . 1 . 2]"
1 114 TYR 0.102 0.013 7 0 "[ . 1 . 2]"
1 115 GLU 0.370 0.016 9 0 "[ . 1 . 2]"
1 116 ALA 0.192 0.022 12 0 "[ . 1 . 2]"
1 117 TYR 0.033 0.022 12 0 "[ . 1 . 2]"
1 118 PHE 0.007 0.004 12 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 LEU 0.000 0.000 8 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 9 ILE HG13 1 97 PRO HB3 . . 4.790 4.033 3.863 4.210 . 0 0 "[ . 1 . 2]" 1
2 1 9 ILE HG12 1 97 PRO HB3 . . 4.790 4.157 3.704 4.464 . 0 0 "[ . 1 . 2]" 1
3 1 9 ILE HA 1 10 TYR H . . 3.540 2.195 2.188 2.225 . 0 0 "[ . 1 . 2]" 1
4 1 9 ILE HA 1 100 GLU H . . 4.590 3.336 3.163 3.608 . 0 0 "[ . 1 . 2]" 1
5 1 9 ILE HA 1 99 LEU HA . . 3.990 2.594 2.440 2.787 . 0 0 "[ . 1 . 2]" 1
6 1 9 ILE HA 1 99 LEU HG . . 4.580 3.793 3.436 4.209 . 0 0 "[ . 1 . 2]" 1
7 1 9 ILE MG 1 35 HIS H . . 3.480 2.644 2.172 3.085 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE MG 1 33 THR H . . 4.680 3.427 3.044 3.981 . 0 0 "[ . 1 . 2]" 1
9 1 9 ILE MG 1 10 TYR H . . 4.700 3.913 3.853 3.957 . 0 0 "[ . 1 . 2]" 1
10 1 9 ILE MG 1 34 PHE HD1 . . 3.750 2.780 2.431 3.059 . 0 0 "[ . 1 . 2]" 1
11 1 9 ILE MG 1 32 TYR HD2 . . 3.530 2.561 1.921 2.898 . 0 0 "[ . 1 . 2]" 1
12 1 9 ILE MG 1 10 TYR HA . . 4.370 4.067 3.978 4.237 . 0 0 "[ . 1 . 2]" 1
13 1 9 ILE MG 1 32 TYR HB2 . . 4.530 3.441 3.014 4.035 . 0 0 "[ . 1 . 2]" 1
14 1 9 ILE MG 1 18 MET ME . . 3.710 3.190 2.801 3.632 . 0 0 "[ . 1 . 2]" 1
15 1 9 ILE MD 1 32 TYR HD2 . . 4.380 2.969 2.196 3.368 . 0 0 "[ . 1 . 2]" 1
16 1 9 ILE MD 1 21 ALA HA . . 5.500 5.069 4.716 5.484 . 0 0 "[ . 1 . 2]" 1
17 1 9 ILE MD 1 97 PRO HB3 . . 4.050 2.406 2.145 2.739 . 0 0 "[ . 1 . 2]" 1
18 1 9 ILE MD 1 97 PRO HB2 . . 3.790 2.065 1.940 2.263 . 0 0 "[ . 1 . 2]" 1
19 1 9 ILE HB 1 9 ILE MD . . 3.490 2.377 2.322 2.437 . 0 0 "[ . 1 . 2]" 1
20 1 9 ILE MD 1 9 ILE MG . . 3.070 1.957 1.908 2.054 . 0 0 "[ . 1 . 2]" 1
21 1 9 ILE MD 1 22 ARG HA . . 4.920 4.234 3.837 4.675 . 0 0 "[ . 1 . 2]" 1
22 1 9 ILE MD 1 97 PRO HD3 . . 5.500 4.890 4.732 5.122 . 0 0 "[ . 1 . 2]" 1
23 1 10 TYR HA 1 11 GLY H . . 3.340 2.234 2.143 2.348 . 0 0 "[ . 1 . 2]" 1
24 1 10 TYR HB2 1 98 VAL HB . . 4.090 2.155 1.996 3.197 . 0 0 "[ . 1 . 2]" 1
25 1 10 TYR HB2 1 98 VAL MG1 . . 4.660 2.954 2.458 3.347 . 0 0 "[ . 1 . 2]" 1
26 1 10 TYR HB3 1 98 VAL HB . . 4.090 3.350 1.998 3.880 . 0 0 "[ . 1 . 2]" 1
27 1 8 THR HA 1 33 THR H . . 3.610 2.509 1.988 3.066 . 0 0 "[ . 1 . 2]" 1
28 1 8 THR HA 1 8 THR MG . . 3.390 2.279 2.094 2.406 . 0 0 "[ . 1 . 2]" 1
29 1 8 THR MG 1 35 HIS H . . 4.230 3.999 3.545 4.237 0.007 10 0 "[ . 1 . 2]" 1
30 1 8 THR MG 1 33 THR H . . 4.480 3.992 3.438 4.387 . 0 0 "[ . 1 . 2]" 1
31 1 8 THR MG 1 33 THR HB . . 3.820 2.245 1.950 2.494 . 0 0 "[ . 1 . 2]" 1
32 1 8 THR MG 1 35 HIS HB2 . . 4.050 2.702 2.141 3.092 . 0 0 "[ . 1 . 2]" 1
33 1 8 THR MG 1 35 HIS HB3 . . 4.050 3.607 2.743 4.054 0.004 15 0 "[ . 1 . 2]" 1
34 1 7 VAL HB 1 32 TYR HA . . 4.980 3.551 2.156 4.997 0.017 3 0 "[ . 1 . 2]" 1
35 1 78 VAL H 1 78 VAL QG . . 2.820 2.074 1.918 2.410 . 0 0 "[ . 1 . 2]" 1
36 1 5 MET HB3 1 5 MET HG3 . . 2.980 2.868 2.615 2.989 0.009 14 0 "[ . 1 . 2]" 1
37 1 5 MET HB2 1 5 MET HG2 . . 2.980 2.870 2.612 2.989 0.009 14 0 "[ . 1 . 2]" 1
38 1 5 MET HB3 1 5 MET HG2 . . 2.980 2.560 2.264 2.975 . 0 0 "[ . 1 . 2]" 1
39 1 5 MET HB2 1 5 MET HG3 . . 2.980 2.451 2.263 2.976 . 0 0 "[ . 1 . 2]" 1
40 1 12 ILE HA 1 12 ILE MG . . 3.400 2.306 2.234 2.391 . 0 0 "[ . 1 . 2]" 1
41 1 12 ILE MD 1 13 LYS H . . 4.610 3.964 3.483 4.611 0.001 12 0 "[ . 1 . 2]" 1
42 1 12 ILE HB 1 12 ILE MD . . 3.360 2.399 2.099 3.181 . 0 0 "[ . 1 . 2]" 1
43 1 12 ILE MD 1 12 ILE MG . . 2.960 2.101 1.879 2.511 . 0 0 "[ . 1 . 2]" 1
44 1 12 ILE MG 1 13 LYS H . . 4.160 3.644 3.458 3.846 . 0 0 "[ . 1 . 2]" 1
45 1 12 ILE MG 1 37 TYR H . . 4.150 2.975 2.545 3.701 . 0 0 "[ . 1 . 2]" 1
46 1 12 ILE H 1 12 ILE MG . . 4.520 2.986 2.728 3.164 . 0 0 "[ . 1 . 2]" 1
47 1 12 ILE MG 1 37 TYR HB3 . . 4.430 2.980 2.012 3.891 . 0 0 "[ . 1 . 2]" 1
48 1 14 ASN HB3 1 15 CYS H . . 4.900 4.313 4.014 4.514 . 0 0 "[ . 1 . 2]" 1
49 1 14 ASN HB2 1 15 CYS H . . 4.900 4.485 4.049 4.661 . 0 0 "[ . 1 . 2]" 1
50 1 12 ILE MD 1 15 CYS HB3 . . 4.650 3.414 1.997 4.600 . 0 0 "[ . 1 . 2]" 1
51 1 12 ILE MD 1 15 CYS HB2 . . 4.650 2.702 1.948 4.595 . 0 0 "[ . 1 . 2]" 1
52 1 16 ASP HB3 1 17 THR H . . 4.240 4.052 3.842 4.221 . 0 0 "[ . 1 . 2]" 1
53 1 16 ASP HB3 1 19 LYS HB2 . . 5.500 5.065 4.262 5.504 0.004 7 0 "[ . 1 . 2]" 1
54 1 16 ASP HB3 1 19 LYS HB3 . . 5.500 5.191 4.357 5.507 0.007 17 0 "[ . 1 . 2]" 1
55 1 16 ASP HB2 1 19 LYS HB2 . . 5.500 5.011 4.015 5.507 0.007 13 0 "[ . 1 . 2]" 1
56 1 16 ASP HB2 1 19 LYS HB3 . . 5.500 4.764 4.184 5.511 0.011 13 0 "[ . 1 . 2]" 1
57 1 16 ASP HB2 1 17 THR H . . 4.240 3.343 2.519 3.805 . 0 0 "[ . 1 . 2]" 1
58 1 17 THR HA 1 20 LYS H . . 4.320 3.526 3.364 3.681 . 0 0 "[ . 1 . 2]" 1
59 1 17 THR H 1 17 THR MG . . 4.330 3.548 2.139 3.763 . 0 0 "[ . 1 . 2]" 1
60 1 17 THR MG 1 18 MET H . . 4.290 3.586 1.925 3.981 . 0 0 "[ . 1 . 2]" 1
61 1 17 THR HA 1 17 THR MG . . 3.260 2.323 2.115 3.204 . 0 0 "[ . 1 . 2]" 1
62 1 17 THR MG 1 97 PRO HD3 . . 3.380 2.266 1.910 2.630 . 0 0 "[ . 1 . 2]" 1
63 1 17 THR MG 1 97 PRO HD2 . . 3.780 3.187 2.648 3.788 0.008 7 0 "[ . 1 . 2]" 1
64 1 18 MET HA 1 21 ALA H . . 4.590 3.523 3.387 3.746 . 0 0 "[ . 1 . 2]" 1
65 1 18 MET HA 1 97 PRO HB3 . . 3.930 3.439 2.911 3.912 . 0 0 "[ . 1 . 2]" 1
66 1 18 MET HA 1 97 PRO HG3 . . 4.840 4.279 3.753 4.839 . 0 0 "[ . 1 . 2]" 1
67 1 18 MET HA 1 21 ALA MB . . 3.660 2.580 2.266 2.864 . 0 0 "[ . 1 . 2]" 1
68 1 18 MET H 1 18 MET ME . . 4.930 4.644 4.270 4.934 0.004 6 0 "[ . 1 . 2]" 1
69 1 10 TYR H 1 18 MET ME . . 4.930 4.579 3.928 4.932 0.002 15 0 "[ . 1 . 2]" 1
70 1 18 MET ME 1 22 ARG H . . 4.700 4.443 3.334 4.702 0.002 2 0 "[ . 1 . 2]" 1
71 1 11 GLY H 1 18 MET ME . . 4.170 3.744 3.383 4.046 . 0 0 "[ . 1 . 2]" 1
72 1 18 MET ME 1 34 PHE HE1 . . 3.520 2.312 1.893 2.826 . 0 0 "[ . 1 . 2]" 1
73 1 12 ILE H 1 18 MET ME . . 3.720 3.517 2.817 3.726 0.006 2 0 "[ . 1 . 2]" 1
74 1 10 TYR HA 1 18 MET ME . . 4.700 4.320 3.930 4.688 . 0 0 "[ . 1 . 2]" 1
75 1 18 MET HA 1 18 MET ME . . 3.530 2.919 2.472 3.172 . 0 0 "[ . 1 . 2]" 1
76 1 18 MET ME 1 18 MET HG2 . . 3.830 2.930 1.999 3.397 . 0 0 "[ . 1 . 2]" 1
77 1 18 MET ME 1 18 MET HG3 . . 3.830 2.697 2.385 3.294 . 0 0 "[ . 1 . 2]" 1
78 1 18 MET ME 1 97 PRO HB3 . . 3.640 3.150 2.301 3.648 0.008 9 0 "[ . 1 . 2]" 1
79 1 9 ILE MD 1 18 MET ME . . 3.130 2.263 1.861 2.695 . 0 0 "[ . 1 . 2]" 1
80 1 20 LYS HA 1 23 ILE HB . . 3.390 2.787 2.582 2.885 . 0 0 "[ . 1 . 2]" 1
81 1 74 VAL MG1 1 75 ARG HA . . 3.560 3.440 3.192 3.573 0.013 14 0 "[ . 1 . 2]" 1
82 1 21 ALA HA 1 24 TRP H . . 4.120 3.611 3.519 3.746 . 0 0 "[ . 1 . 2]" 1
83 1 21 ALA HA 1 24 TRP HB2 . . 4.280 3.191 2.908 3.517 . 0 0 "[ . 1 . 2]" 1
84 1 21 ALA HA 1 24 TRP HB3 . . 4.280 3.215 3.039 3.456 . 0 0 "[ . 1 . 2]" 1
85 1 21 ALA MB 1 97 PRO HD3 . . 4.300 3.192 2.844 3.542 . 0 0 "[ . 1 . 2]" 1
86 1 21 ALA MB 1 97 PRO HB2 . . 3.780 3.444 3.137 3.697 . 0 0 "[ . 1 . 2]" 1
87 1 18 MET ME 1 21 ALA MB . . 3.870 3.411 2.324 3.871 0.001 1 0 "[ . 1 . 2]" 1
88 1 21 ALA MB 1 97 PRO HG3 . . 3.580 2.008 1.916 2.210 . 0 0 "[ . 1 . 2]" 1
89 1 17 THR MG 1 21 ALA MB . . 4.000 3.387 3.010 4.005 0.005 9 0 "[ . 1 . 2]" 1
90 1 9 ILE MD 1 21 ALA MB . . 3.560 2.824 2.397 3.173 . 0 0 "[ . 1 . 2]" 1
91 1 22 ARG HA 1 25 LEU H . . 4.560 3.633 3.473 3.931 . 0 0 "[ . 1 . 2]" 1
92 1 22 ARG HA 1 25 LEU HB2 . . 3.990 2.878 2.731 3.036 . 0 0 "[ . 1 . 2]" 1
93 1 22 ARG HA 1 22 ARG HG2 . . 4.250 2.707 2.338 3.719 . 0 0 "[ . 1 . 2]" 1
94 1 22 ARG HA 1 22 ARG HG3 . . 4.250 3.139 2.487 3.783 . 0 0 "[ . 1 . 2]" 1
95 1 22 ARG HB2 1 23 ILE H . . 4.900 2.593 2.451 3.661 . 0 0 "[ . 1 . 2]" 1
96 1 22 ARG HB3 1 23 ILE H . . 4.900 3.348 3.113 3.958 . 0 0 "[ . 1 . 2]" 1
97 1 23 ILE H 1 23 ILE HB . . 3.660 2.543 2.463 2.562 . 0 0 "[ . 1 . 2]" 1
98 1 23 ILE HA 1 23 ILE HG13 . . 4.050 2.728 2.681 2.935 . 0 0 "[ . 1 . 2]" 1
99 1 23 ILE H 1 23 ILE HG12 . . 3.990 3.585 3.444 3.709 . 0 0 "[ . 1 . 2]" 1
100 1 23 ILE HA 1 23 ILE HG12 . . 4.050 2.765 2.529 2.820 . 0 0 "[ . 1 . 2]" 1
101 1 23 ILE H 1 23 ILE MD . . 3.780 3.175 3.063 3.536 . 0 0 "[ . 1 . 2]" 1
102 1 20 LYS HA 1 23 ILE MD . . 3.440 2.307 1.981 2.798 . 0 0 "[ . 1 . 2]" 1
103 1 24 TRP HA 1 27 ASP HB2 . . 4.000 3.642 2.300 3.994 . 0 0 "[ . 1 . 2]" 1
104 1 23 ILE MG 1 24 TRP HA . . 4.100 3.543 3.220 3.639 . 0 0 "[ . 1 . 2]" 1
105 1 25 LEU HA 1 28 HIS H . . 3.950 3.690 3.449 3.874 . 0 0 "[ . 1 . 2]" 1
106 1 25 LEU HA 1 30 ILE HB . . 4.030 3.277 3.096 3.410 . 0 0 "[ . 1 . 2]" 1
107 1 25 LEU HA 1 25 LEU MD1 . . 3.690 2.059 1.962 2.287 . 0 0 "[ . 1 . 2]" 1
108 1 25 LEU HA 1 25 LEU MD2 . . 4.180 2.366 2.264 2.542 . 0 0 "[ . 1 . 2]" 1
109 1 25 LEU HB3 1 30 ILE H . . 4.560 4.290 3.968 4.533 . 0 0 "[ . 1 . 2]" 1
110 1 25 LEU HB3 1 32 TYR HD1 . . 4.320 3.836 3.339 4.321 0.001 12 0 "[ . 1 . 2]" 1
111 1 25 LEU HG 1 32 TYR HE2 . . 4.580 3.931 3.029 4.580 0.000 20 0 "[ . 1 . 2]" 1
112 1 22 ARG HA 1 25 LEU HG . . 4.580 4.457 4.215 4.583 0.003 10 0 "[ . 1 . 2]" 1
113 1 9 ILE MD 1 25 LEU HG . . 4.290 3.905 3.234 4.289 . 0 0 "[ . 1 . 2]" 1
114 1 25 LEU MD1 1 32 TYR HD1 . . 3.900 3.208 2.599 3.900 0.000 4 0 "[ . 1 . 2]" 1
115 1 25 LEU MD2 1 114 TYR HD2 . . 4.670 4.532 4.013 4.681 0.011 17 0 "[ . 1 . 2]" 1
116 1 25 LEU MD1 1 30 ILE HB . . 3.570 2.107 1.880 2.470 . 0 0 "[ . 1 . 2]" 1
117 1 26 GLU HA 1 26 GLU HG2 . . 4.130 3.042 2.157 4.231 0.101 17 0 "[ . 1 . 2]" 1
118 1 26 GLU HA 1 26 GLU HG3 . . 4.130 3.448 2.689 3.751 . 0 0 "[ . 1 . 2]" 1
119 1 26 GLU HB2 1 27 ASP H . . 4.390 3.080 2.530 4.030 . 0 0 "[ . 1 . 2]" 1
120 1 23 ILE HA 1 26 GLU HB2 . . 4.700 3.355 2.457 4.716 0.016 9 0 "[ . 1 . 2]" 1
121 1 23 ILE HA 1 26 GLU HB3 . . 4.700 4.075 3.845 4.258 . 0 0 "[ . 1 . 2]" 1
122 1 26 GLU HB3 1 27 ASP H . . 4.390 3.544 3.078 3.922 . 0 0 "[ . 1 . 2]" 1
123 1 26 GLU H 1 26 GLU HG2 . . 4.080 2.960 2.143 3.939 . 0 0 "[ . 1 . 2]" 1
124 1 24 TRP HA 1 27 ASP HB3 . . 4.000 2.742 2.391 3.736 . 0 0 "[ . 1 . 2]" 1
125 1 27 ASP HB3 1 28 HIS H . . 4.390 2.612 2.494 3.157 . 0 0 "[ . 1 . 2]" 1
126 1 27 ASP H 1 27 ASP HB3 . . 3.640 2.506 2.306 3.487 . 0 0 "[ . 1 . 2]" 1
127 1 30 ILE HA 1 30 ILE HG12 . . 4.010 2.673 2.583 3.196 . 0 0 "[ . 1 . 2]" 1
128 1 30 ILE HA 1 30 ILE HG13 . . 4.010 3.140 2.850 3.799 . 0 0 "[ . 1 . 2]" 1
129 1 30 ILE H 1 30 ILE MG . . 4.170 3.841 3.793 3.858 . 0 0 "[ . 1 . 2]" 1
130 1 30 ILE MG 1 32 TYR HD1 . . 3.610 2.398 1.965 3.618 0.008 6 0 "[ . 1 . 2]" 1
131 1 30 ILE HA 1 30 ILE MG . . 3.310 2.307 2.263 2.392 . 0 0 "[ . 1 . 2]" 1
132 1 30 ILE MG 1 31 ASP HB2 . . 5.270 4.240 3.750 4.809 . 0 0 "[ . 1 . 2]" 1
133 1 30 ILE MG 1 31 ASP HB3 . . 5.270 4.397 3.826 4.931 . 0 0 "[ . 1 . 2]" 1
134 1 30 ILE MD 1 30 ILE MG . . 3.110 1.963 1.924 2.087 . 0 0 "[ . 1 . 2]" 1
135 1 30 ILE H 1 30 ILE MD . . 4.170 3.764 3.304 3.870 . 0 0 "[ . 1 . 2]" 1
136 1 28 HIS H 1 30 ILE MD . . 5.270 4.784 4.363 5.111 . 0 0 "[ . 1 . 2]" 1
137 1 24 TRP HZ3 1 30 ILE MD . . 4.060 3.283 2.365 4.067 0.007 16 0 "[ . 1 . 2]" 1
138 1 30 ILE HA 1 30 ILE MD . . 3.890 3.689 1.958 3.874 . 0 0 "[ . 1 . 2]" 1
139 1 28 HIS HB2 1 30 ILE MD . . 4.210 3.584 2.802 4.215 0.005 18 0 "[ . 1 . 2]" 1
140 1 28 HIS HB3 1 30 ILE MD . . 4.210 2.620 2.236 2.998 . 0 0 "[ . 1 . 2]" 1
141 1 30 ILE HB 1 30 ILE MD . . 3.510 2.453 2.333 3.231 . 0 0 "[ . 1 . 2]" 1
142 1 31 ASP HB2 1 32 TYR H . . 5.160 4.386 3.916 4.535 . 0 0 "[ . 1 . 2]" 1
143 1 31 ASP HB3 1 32 TYR H . . 5.160 3.955 3.200 4.479 . 0 0 "[ . 1 . 2]" 1
144 1 32 TYR HA 1 33 THR H . . 3.240 2.215 2.150 2.344 . 0 0 "[ . 1 . 2]" 1
145 1 32 TYR HA 1 32 TYR HD1 . . 4.290 2.941 2.472 3.945 . 0 0 "[ . 1 . 2]" 1
146 1 9 ILE MG 1 32 TYR HA . . 5.190 4.264 3.716 4.744 . 0 0 "[ . 1 . 2]" 1
147 1 30 ILE MG 1 32 TYR HA . . 5.500 4.253 4.076 4.667 . 0 0 "[ . 1 . 2]" 1
148 1 9 ILE MG 1 32 TYR HB3 . . 4.530 2.836 2.000 4.588 0.058 11 0 "[ . 1 . 2]" 1
149 1 25 LEU HG 1 32 TYR HB3 . . 4.830 4.181 3.501 4.830 . 0 0 "[ . 1 . 2]" 1
150 1 25 LEU HG 1 32 TYR HB2 . . 4.830 3.696 2.880 4.823 . 0 0 "[ . 1 . 2]" 1
151 1 32 TYR HB2 1 33 THR H . . 4.410 3.960 3.023 4.416 0.006 2 0 "[ . 1 . 2]" 1
152 1 33 THR H 1 33 THR HB . . 3.520 2.748 2.499 2.936 . 0 0 "[ . 1 . 2]" 1
153 1 32 TYR HA 1 33 THR HB . . 5.400 4.939 4.623 5.154 . 0 0 "[ . 1 . 2]" 1
154 1 33 THR HB 1 34 PHE HA . . 5.500 4.911 4.793 5.094 . 0 0 "[ . 1 . 2]" 1
155 1 8 THR HA 1 33 THR HB . . 3.970 2.349 2.008 2.980 . 0 0 "[ . 1 . 2]" 1
156 1 33 THR HA 1 33 THR MG . . 3.420 2.224 2.106 2.353 . 0 0 "[ . 1 . 2]" 1
157 1 33 THR H 1 33 THR MG . . 4.060 3.780 3.716 3.824 . 0 0 "[ . 1 . 2]" 1
158 1 8 THR HA 1 33 THR MG . . 4.510 3.973 3.701 4.444 . 0 0 "[ . 1 . 2]" 1
159 1 33 THR MG 1 34 PHE HA . . 4.710 4.392 3.979 4.708 . 0 0 "[ . 1 . 2]" 1
160 1 8 THR MG 1 33 THR MG . . 3.240 2.966 2.584 3.205 . 0 0 "[ . 1 . 2]" 1
161 1 9 ILE MG 1 34 PHE HA . . 4.020 1.988 1.903 2.260 . 0 0 "[ . 1 . 2]" 1
162 1 36 ASP HB3 1 39 LYS HA . . 4.570 4.174 3.864 4.473 . 0 0 "[ . 1 . 2]" 1
163 1 37 TYR HB2 1 38 LYS H . . 4.590 3.482 2.633 4.053 . 0 0 "[ . 1 . 2]" 1
164 1 37 TYR HB2 1 91 PRO HG2 . . 4.640 3.156 2.001 4.640 0.000 13 0 "[ . 1 . 2]" 1
165 1 12 ILE MG 1 37 TYR HB2 . . 4.430 3.154 1.951 4.372 . 0 0 "[ . 1 . 2]" 1
166 1 37 TYR HB3 1 91 PRO HB2 . . 4.270 3.624 2.841 4.290 0.020 19 0 "[ . 1 . 2]" 1
167 1 37 TYR HB3 1 91 PRO HG2 . . 4.640 3.614 2.728 4.435 . 0 0 "[ . 1 . 2]" 1
168 1 37 TYR HB3 1 38 LYS H . . 4.590 3.723 3.273 3.918 . 0 0 "[ . 1 . 2]" 1
169 1 40 GLU HA 1 40 GLU HG2 . . 3.740 2.927 2.171 3.755 0.015 1 0 "[ . 1 . 2]" 1
170 1 40 GLU HA 1 40 GLU HG3 . . 3.740 3.410 2.654 3.743 0.003 1 0 "[ . 1 . 2]" 1
171 1 41 GLY HA3 1 42 LEU H . . 3.440 3.299 2.670 3.454 0.014 19 0 "[ . 1 . 2]" 1
172 1 42 LEU HG 1 46 THR HB . . 5.040 4.693 4.318 5.041 0.001 7 0 "[ . 1 . 2]" 1
173 1 44 ALA H 1 44 ALA MB . . 2.890 2.180 2.099 2.234 . 0 0 "[ . 1 . 2]" 1
174 1 44 ALA MB 1 48 ASP H . . 4.540 4.320 4.107 4.526 . 0 0 "[ . 1 . 2]" 1
175 1 44 ALA MB 1 88 LEU HG . . 3.890 3.866 3.675 3.900 0.010 15 0 "[ . 1 . 2]" 1
176 1 45 GLU HA 1 48 ASP H . . 4.170 3.869 3.695 3.983 . 0 0 "[ . 1 . 2]" 1
177 1 45 GLU HA 1 48 ASP HB2 . . 3.990 3.800 3.575 3.991 0.001 14 0 "[ . 1 . 2]" 1
178 1 45 GLU HA 1 48 ASP HB3 . . 3.990 3.246 2.917 3.495 . 0 0 "[ . 1 . 2]" 1
179 1 44 ALA MB 1 45 GLU HA . . 4.130 3.789 3.742 3.847 . 0 0 "[ . 1 . 2]" 1
180 1 45 GLU H 1 45 GLU HG2 . . 5.190 4.515 4.234 4.634 . 0 0 "[ . 1 . 2]" 1
181 1 45 GLU H 1 45 GLU HG3 . . 5.190 4.308 4.121 4.510 . 0 0 "[ . 1 . 2]" 1
182 1 43 ASP H 1 46 THR MG . . 4.240 3.801 3.427 4.090 . 0 0 "[ . 1 . 2]" 1
183 1 46 THR H 1 46 THR MG . . 4.150 3.480 2.976 3.735 . 0 0 "[ . 1 . 2]" 1
184 1 46 THR HA 1 46 THR MG . . 3.240 2.117 1.974 2.198 . 0 0 "[ . 1 . 2]" 1
185 1 47 LEU HA 1 50 PHE HE2 . . 5.300 4.939 3.748 5.301 0.001 13 0 "[ . 1 . 2]" 1
186 1 48 ASP HB3 1 49 ARG H . . 4.320 2.439 2.311 2.663 . 0 0 "[ . 1 . 2]" 1
187 1 49 ARG HA 1 49 ARG HG3 . . 3.990 3.026 2.235 3.732 . 0 0 "[ . 1 . 2]" 1
188 1 49 ARG H 1 49 ARG HG3 . . 4.790 3.538 2.502 4.463 . 0 0 "[ . 1 . 2]" 1
189 1 49 ARG H 1 49 ARG HG2 . . 4.790 3.576 2.384 4.623 . 0 0 "[ . 1 . 2]" 1
190 1 49 ARG HA 1 49 ARG HG2 . . 3.990 2.804 2.335 3.771 . 0 0 "[ . 1 . 2]" 1
191 1 50 PHE HB2 1 50 PHE HE2 . . 4.730 4.597 4.594 4.612 . 0 0 "[ . 1 . 2]" 1
192 1 47 LEU MD1 1 50 PHE HB2 . . 5.090 3.707 3.452 4.816 . 0 0 "[ . 1 . 2]" 1
193 1 47 LEU MD2 1 50 PHE HB2 . . 5.090 3.769 3.249 4.022 . 0 0 "[ . 1 . 2]" 1
194 1 50 PHE HB2 1 59 LEU MD1 . . 4.480 4.151 3.441 4.481 0.001 4 0 "[ . 1 . 2]" 1
195 1 50 PHE HB2 1 59 LEU MD2 . . 4.480 3.380 2.558 4.431 . 0 0 "[ . 1 . 2]" 1
196 1 50 PHE HB3 1 50 PHE HE1 . . 5.030 4.884 4.818 4.961 . 0 0 "[ . 1 . 2]" 1
197 1 52 LYS H 1 52 LYS HB3 . . 3.960 3.505 3.066 3.588 . 0 0 "[ . 1 . 2]" 1
198 1 52 LYS H 1 52 LYS HD2 . . 5.500 4.574 3.704 5.099 . 0 0 "[ . 1 . 2]" 1
199 1 52 LYS H 1 52 LYS HD3 . . 5.500 4.453 3.418 5.222 . 0 0 "[ . 1 . 2]" 1
200 1 52 LYS HA 1 52 LYS HD2 . . 5.450 4.308 2.107 4.813 . 0 0 "[ . 1 . 2]" 1
201 1 52 LYS HA 1 52 LYS HD3 . . 5.450 4.175 2.496 4.586 . 0 0 "[ . 1 . 2]" 1
202 1 53 THR HB 1 54 VAL H . . 3.890 3.042 2.807 3.723 . 0 0 "[ . 1 . 2]" 1
203 1 53 THR H 1 53 THR MG . . 3.870 3.575 2.542 3.827 . 0 0 "[ . 1 . 2]" 1
204 1 53 THR MG 1 54 VAL H . . 4.200 3.890 3.637 4.177 . 0 0 "[ . 1 . 2]" 1
205 1 54 VAL H 1 54 VAL HB . . 3.730 2.901 2.767 3.753 0.023 1 0 "[ . 1 . 2]" 1
206 1 55 PRO HB3 1 58 GLN H . . 4.910 4.738 4.459 4.910 . 0 0 "[ . 1 . 2]" 1
207 1 55 PRO HG2 1 58 GLN H . . 4.950 2.819 2.571 2.979 . 0 0 "[ . 1 . 2]" 1
208 1 55 PRO HG3 1 58 GLN H . . 4.950 4.474 4.182 4.644 . 0 0 "[ . 1 . 2]" 1
209 1 54 VAL HA 1 55 PRO HD3 . . 3.850 2.261 2.257 2.326 . 0 0 "[ . 1 . 2]" 1
210 1 54 VAL HA 1 55 PRO HD2 . . 3.850 2.129 2.110 2.463 . 0 0 "[ . 1 . 2]" 1
211 1 56 TRP HA 1 58 GLN H . . 4.300 3.879 3.782 4.019 . 0 0 "[ . 1 . 2]" 1
212 1 56 TRP HA 1 59 LEU H . . 4.100 3.207 3.037 3.526 . 0 0 "[ . 1 . 2]" 1
213 1 56 TRP HA 1 60 LEU H . . 4.790 4.153 3.307 4.749 . 0 0 "[ . 1 . 2]" 1
214 1 55 PRO HB2 1 56 TRP HA . . 5.180 4.927 4.888 4.972 . 0 0 "[ . 1 . 2]" 1
215 1 56 TRP HA 1 59 LEU HB2 . . 3.710 2.633 2.084 3.230 . 0 0 "[ . 1 . 2]" 1
216 1 56 TRP HA 1 59 LEU HB3 . . 4.090 2.147 1.997 3.069 . 0 0 "[ . 1 . 2]" 1
217 1 56 TRP HA 1 60 LEU MD2 . . 4.090 3.373 2.832 4.087 . 0 0 "[ . 1 . 2]" 1
218 1 56 TRP HA 1 59 LEU MD1 . . 4.860 4.112 2.483 4.795 . 0 0 "[ . 1 . 2]" 1
219 1 56 TRP HA 1 59 LEU MD2 . . 4.860 3.110 2.705 3.895 . 0 0 "[ . 1 . 2]" 1
220 1 57 GLU HA 1 59 LEU H . . 4.520 4.037 3.894 4.144 . 0 0 "[ . 1 . 2]" 1
221 1 57 GLU HA 1 60 LEU HG . . 4.610 4.260 3.907 4.614 0.004 10 0 "[ . 1 . 2]" 1
222 1 57 GLU HA 1 57 GLU HG3 . . 3.930 3.821 3.655 3.930 0.000 14 0 "[ . 1 . 2]" 1
223 1 57 GLU H 1 57 GLU HG2 . . 3.860 2.348 2.097 2.458 . 0 0 "[ . 1 . 2]" 1
224 1 57 GLU HG2 1 59 LEU H . . 5.500 4.804 4.385 5.505 0.005 7 0 "[ . 1 . 2]" 1
225 1 57 GLU HA 1 57 GLU HG2 . . 3.930 3.681 3.603 3.841 . 0 0 "[ . 1 . 2]" 1
226 1 57 GLU HG3 1 59 LEU H . . 5.500 5.091 4.508 5.409 . 0 0 "[ . 1 . 2]" 1
227 1 57 GLU HG3 1 58 GLN H . . 4.920 2.842 2.109 3.297 . 0 0 "[ . 1 . 2]" 1
228 1 58 GLN HA 1 58 GLN HG2 . . 3.540 2.351 2.252 2.531 . 0 0 "[ . 1 . 2]" 1
229 1 58 GLN HA 1 58 GLN HG3 . . 3.540 3.308 3.148 3.539 . 0 0 "[ . 1 . 2]" 1
230 1 58 GLN H 1 58 GLN HB3 . . 3.820 3.722 3.663 3.777 . 0 0 "[ . 1 . 2]" 1
231 1 58 GLN H 1 58 GLN HG2 . . 4.030 3.771 3.310 4.019 . 0 0 "[ . 1 . 2]" 1
232 1 58 GLN H 1 58 GLN HG3 . . 4.030 3.177 2.723 3.382 . 0 0 "[ . 1 . 2]" 1
233 1 59 LEU HA 1 59 LEU HG . . 3.900 2.708 2.131 3.153 . 0 0 "[ . 1 . 2]" 1
234 1 59 LEU HB2 1 60 LEU H . . 4.620 4.018 3.566 4.363 . 0 0 "[ . 1 . 2]" 1
235 1 59 LEU HB3 1 60 LEU H . . 4.750 3.255 2.599 3.817 . 0 0 "[ . 1 . 2]" 1
236 1 59 LEU HB3 1 60 LEU HB3 . . 4.540 3.661 3.491 3.804 . 0 0 "[ . 1 . 2]" 1
237 1 59 LEU HA 1 59 LEU MD1 . . 4.540 2.493 2.015 3.463 . 0 0 "[ . 1 . 2]" 1
238 1 59 LEU HA 1 59 LEU MD2 . . 4.540 3.735 3.162 3.874 . 0 0 "[ . 1 . 2]" 1
239 1 59 LEU H 1 59 LEU MD1 . . 5.270 4.210 4.008 4.440 . 0 0 "[ . 1 . 2]" 1
240 1 59 LEU H 1 59 LEU MD2 . . 5.270 4.472 4.200 4.605 . 0 0 "[ . 1 . 2]" 1
241 1 50 PHE HB3 1 59 LEU HG . . 4.670 4.452 4.036 4.656 . 0 0 "[ . 1 . 2]" 1
242 1 60 LEU H 1 60 LEU HB2 . . 3.970 3.854 3.681 3.964 . 0 0 "[ . 1 . 2]" 1
243 1 60 LEU H 1 60 LEU MD2 . . 4.660 3.171 2.838 3.613 . 0 0 "[ . 1 . 2]" 1
244 1 59 LEU H 1 60 LEU MD2 . . 4.070 3.748 3.454 4.074 0.004 18 0 "[ . 1 . 2]" 1
245 1 60 LEU MD1 1 61 ASN HD21 . . 4.310 2.759 2.569 2.887 . 0 0 "[ . 1 . 2]" 1
246 1 60 LEU HA 1 60 LEU MD1 . . 3.710 3.618 3.534 3.707 . 0 0 "[ . 1 . 2]" 1
247 1 60 LEU MD2 1 87 MET ME . . 3.420 2.995 1.876 3.425 0.005 3 0 "[ . 1 . 2]" 1
248 1 60 LEU MD1 1 87 MET ME . . 3.780 3.102 2.604 3.688 . 0 0 "[ . 1 . 2]" 1
249 1 60 LEU HB2 1 60 LEU MD1 . . 3.570 2.010 1.946 2.086 . 0 0 "[ . 1 . 2]" 1
250 1 61 ASN HB2 1 62 ARG HB2 . . 5.500 5.373 5.244 5.521 0.021 18 0 "[ . 1 . 2]" 1
251 1 61 ASN HB2 1 66 THR MG . . 5.500 5.460 5.340 5.526 0.026 12 0 "[ . 1 . 2]" 1
252 1 61 ASN HB3 1 95 LYS HA . . 4.410 3.780 3.180 4.374 . 0 0 "[ . 1 . 2]" 1
253 1 61 ASN HD21 1 62 ARG HA . . 4.990 4.135 3.745 4.922 . 0 0 "[ . 1 . 2]" 1
254 1 62 ARG HA 1 67 PHE QB . . 4.160 2.985 1.961 3.601 . 0 0 "[ . 1 . 2]" 1
255 1 62 ARG HA 1 62 ARG HG2 . . 3.850 3.433 3.242 3.566 . 0 0 "[ . 1 . 2]" 1
256 1 62 ARG HA 1 62 ARG HG3 . . 3.850 2.267 2.172 2.427 . 0 0 "[ . 1 . 2]" 1
257 1 62 ARG HB2 1 63 ALA H . . 4.560 2.652 2.333 3.162 . 0 0 "[ . 1 . 2]" 1
258 1 62 ARG HB3 1 63 ALA H . . 4.670 3.442 2.994 4.028 . 0 0 "[ . 1 . 2]" 1
259 1 63 ALA H 1 63 ALA MB . . 2.910 2.280 2.157 2.371 . 0 0 "[ . 1 . 2]" 1
260 1 65 THR HA 1 68 ARG H . . 4.070 3.162 3.038 3.290 . 0 0 "[ . 1 . 2]" 1
261 1 65 THR HA 1 68 ARG HB2 . . 3.470 2.246 2.028 2.469 . 0 0 "[ . 1 . 2]" 1
262 1 65 THR HA 1 68 ARG HB3 . . 3.710 3.669 3.466 3.724 0.014 10 0 "[ . 1 . 2]" 1
263 1 65 THR HB 1 68 ARG HB2 . . 4.780 4.286 4.014 4.639 . 0 0 "[ . 1 . 2]" 1
264 1 65 THR HB 1 68 ARG HB3 . . 5.500 5.208 4.882 5.510 0.010 10 0 "[ . 1 . 2]" 1
265 1 65 THR H 1 65 THR MG . . 4.210 2.149 1.923 2.595 . 0 0 "[ . 1 . 2]" 1
266 1 65 THR HA 1 65 THR MG . . 3.230 2.541 2.185 3.199 . 0 0 "[ . 1 . 2]" 1
267 1 61 ASN HD22 1 66 THR HB . . 4.310 2.491 1.942 3.727 . 0 0 "[ . 1 . 2]" 1
268 1 66 THR MG 1 93 MET H . . 4.480 4.444 4.112 4.521 0.041 12 0 "[ . 1 . 2]" 1
269 1 61 ASN HD22 1 66 THR MG . . 4.610 3.295 2.042 4.020 . 0 0 "[ . 1 . 2]" 1
270 1 66 THR HA 1 66 THR MG . . 3.250 2.175 1.971 2.370 . 0 0 "[ . 1 . 2]" 1
271 1 67 PHE QD 1 68 ARG HA . . 3.730 3.102 3.036 3.238 . 0 0 "[ . 1 . 2]" 1
272 1 68 ARG HA 1 68 ARG HG2 . . 3.270 2.329 2.163 2.843 . 0 0 "[ . 1 . 2]" 1
273 1 68 ARG H 1 68 ARG HB3 . . 4.170 3.472 3.442 3.515 . 0 0 "[ . 1 . 2]" 1
274 1 67 PHE QD 1 68 ARG HB2 . . 5.070 4.673 4.462 4.992 . 0 0 "[ . 1 . 2]" 1
275 1 67 PHE QD 1 68 ARG HB3 . . 5.500 5.260 5.121 5.450 . 0 0 "[ . 1 . 2]" 1
276 1 68 ARG H 1 68 ARG HG2 . . 4.450 3.965 3.763 4.258 . 0 0 "[ . 1 . 2]" 1
277 1 68 ARG HA 1 68 ARG HG3 . . 4.090 2.883 2.360 3.106 . 0 0 "[ . 1 . 2]" 1
278 1 68 ARG HA 1 68 ARG HD2 . . 4.540 4.493 4.205 4.545 0.005 12 0 "[ . 1 . 2]" 1
279 1 68 ARG HA 1 68 ARG HD3 . . 4.540 4.445 4.116 4.548 0.008 12 0 "[ . 1 . 2]" 1
280 1 70 LEU HA 1 71 PRO HB3 . . 5.080 4.858 4.843 4.864 . 0 0 "[ . 1 . 2]" 1
281 1 70 LEU HA 1 74 VAL MG1 . . 4.220 4.249 4.229 4.281 0.061 20 0 "[ . 1 . 2]" 1
282 1 70 LEU HB3 1 75 ARG HG3 . . 4.330 3.577 2.510 4.352 0.022 9 0 "[ . 1 . 2]" 1
283 1 70 LEU HA 1 71 PRO HD2 . . 3.440 2.456 2.386 2.484 . 0 0 "[ . 1 . 2]" 1
284 1 71 PRO HD2 1 74 VAL HB . . 3.810 2.075 1.991 2.217 . 0 0 "[ . 1 . 2]" 1
285 1 70 LEU HB3 1 71 PRO HD2 . . 3.670 2.029 1.979 2.153 . 0 0 "[ . 1 . 2]" 1
286 1 71 PRO HD2 1 74 VAL MG2 . . 4.100 2.350 1.969 2.729 . 0 0 "[ . 1 . 2]" 1
287 1 71 PRO HD2 1 74 VAL MG1 . . 3.410 3.039 2.895 3.154 . 0 0 "[ . 1 . 2]" 1
288 1 70 LEU HB3 1 71 PRO HD3 . . 3.950 3.467 3.417 3.571 . 0 0 "[ . 1 . 2]" 1
289 1 71 PRO HD3 1 74 VAL HB . . 3.880 3.763 3.624 3.896 0.016 9 0 "[ . 1 . 2]" 1
290 1 70 LEU HA 1 71 PRO HD3 . . 3.620 2.324 2.294 2.336 . 0 0 "[ . 1 . 2]" 1
291 1 71 PRO HB2 1 73 ASP H . . 4.420 2.459 2.291 2.774 . 0 0 "[ . 1 . 2]" 1
292 1 71 PRO HB2 1 74 VAL H . . 4.410 3.176 3.042 3.275 . 0 0 "[ . 1 . 2]" 1
293 1 71 PRO HB2 1 74 VAL MG2 . . 4.070 3.872 3.767 3.935 . 0 0 "[ . 1 . 2]" 1
294 1 71 PRO HB3 1 74 VAL MG2 . . 4.530 4.358 4.304 4.449 . 0 0 "[ . 1 . 2]" 1
295 1 71 PRO HB3 1 74 VAL H . . 4.660 4.551 4.447 4.637 . 0 0 "[ . 1 . 2]" 1
296 1 71 PRO HA 1 72 GLU H . . 3.150 2.506 2.285 2.571 . 0 0 "[ . 1 . 2]" 1
297 1 72 GLU HA 1 75 ARG H . . 4.150 3.591 3.335 3.944 . 0 0 "[ . 1 . 2]" 1
298 1 72 GLU H 1 72 GLU HB2 . . 3.840 2.930 2.175 3.600 . 0 0 "[ . 1 . 2]" 1
299 1 72 GLU HB2 1 73 ASP H . . 4.140 3.400 2.726 3.947 . 0 0 "[ . 1 . 2]" 1
300 1 72 GLU H 1 72 GLU HB3 . . 3.840 3.023 2.445 3.602 . 0 0 "[ . 1 . 2]" 1
301 1 72 GLU H 1 72 GLU HG2 . . 5.410 2.950 1.948 4.590 . 0 0 "[ . 1 . 2]" 1
302 1 72 GLU H 1 72 GLU HG3 . . 5.410 3.262 2.212 4.479 . 0 0 "[ . 1 . 2]" 1
303 1 72 GLU HG2 1 73 ASP H . . 5.500 3.763 1.967 5.371 . 0 0 "[ . 1 . 2]" 1
304 1 72 GLU HG3 1 73 ASP H . . 5.500 3.724 2.043 5.195 . 0 0 "[ . 1 . 2]" 1
305 1 73 ASP H 1 73 ASP HB2 . . 3.680 2.398 2.224 2.788 . 0 0 "[ . 1 . 2]" 1
306 1 73 ASP HB2 1 74 VAL H . . 4.170 2.632 2.338 3.848 . 0 0 "[ . 1 . 2]" 1
307 1 73 ASP HB2 1 74 VAL MG2 . . 4.730 3.355 2.854 4.524 . 0 0 "[ . 1 . 2]" 1
308 1 73 ASP HB3 1 74 VAL MG2 . . 4.730 3.686 2.818 4.217 . 0 0 "[ . 1 . 2]" 1
309 1 73 ASP H 1 73 ASP HB3 . . 3.680 3.456 2.741 3.598 . 0 0 "[ . 1 . 2]" 1
310 1 70 LEU HB3 1 74 VAL HB . . 3.470 2.194 1.993 2.448 . 0 0 "[ . 1 . 2]" 1
311 1 23 ILE HA 1 23 ILE MG . . 3.240 2.331 2.300 2.409 . 0 0 "[ . 1 . 2]" 1
312 1 74 VAL MG2 1 75 ARG H . . 4.170 3.906 3.798 4.032 . 0 0 "[ . 1 . 2]" 1
313 1 74 VAL H 1 74 VAL MG2 . . 3.120 2.216 2.097 2.496 . 0 0 "[ . 1 . 2]" 1
314 1 74 VAL HA 1 74 VAL MG2 . . 2.980 2.380 2.317 2.427 . 0 0 "[ . 1 . 2]" 1
315 1 71 PRO HD3 1 74 VAL MG2 . . 3.640 3.335 3.063 3.579 . 0 0 "[ . 1 . 2]" 1
316 1 74 VAL H 1 74 VAL MG1 . . 3.850 3.755 3.740 3.763 . 0 0 "[ . 1 . 2]" 1
317 1 74 VAL MG1 1 78 VAL H . . 5.380 5.330 4.763 5.387 0.007 4 0 "[ . 1 . 2]" 1
318 1 70 LEU H 1 74 VAL MG1 . . 5.370 5.177 4.947 5.393 0.023 16 0 "[ . 1 . 2]" 1
319 1 74 VAL HA 1 74 VAL MG1 . . 3.110 2.397 2.315 2.458 . 0 0 "[ . 1 . 2]" 1
320 1 71 PRO HD3 1 74 VAL MG1 . . 4.660 4.455 4.281 4.575 . 0 0 "[ . 1 . 2]" 1
321 1 70 LEU HB3 1 75 ARG HG2 . . 4.330 3.164 2.239 4.158 . 0 0 "[ . 1 . 2]" 1
322 1 75 ARG HA 1 75 ARG HG2 . . 4.140 2.720 2.397 3.172 . 0 0 "[ . 1 . 2]" 1
323 1 70 LEU H 1 75 ARG HG2 . . 4.420 4.144 3.615 4.423 0.003 2 0 "[ . 1 . 2]" 1
324 1 67 PHE QE 1 75 ARG HG2 . . 5.020 4.054 2.466 4.869 . 0 0 "[ . 1 . 2]" 1
325 1 70 LEU H 1 75 ARG HG3 . . 4.420 4.114 3.688 4.411 . 0 0 "[ . 1 . 2]" 1
326 1 67 PHE QE 1 75 ARG HG3 . . 5.020 3.697 2.975 4.773 . 0 0 "[ . 1 . 2]" 1
327 1 75 ARG HA 1 75 ARG HG3 . . 4.140 3.344 2.661 3.832 . 0 0 "[ . 1 . 2]" 1
328 1 75 ARG HA 1 75 ARG HD3 . . 5.500 3.667 2.350 4.696 . 0 0 "[ . 1 . 2]" 1
329 1 75 ARG HA 1 75 ARG HD2 . . 5.500 3.754 2.187 4.706 . 0 0 "[ . 1 . 2]" 1
330 1 75 ARG HB2 1 76 SER HA . . 5.500 4.640 4.311 4.872 . 0 0 "[ . 1 . 2]" 1
331 1 75 ARG HB3 1 76 SER HA . . 5.500 4.364 4.017 4.645 . 0 0 "[ . 1 . 2]" 1
332 1 77 ASN H 1 77 ASN HB3 . . 3.640 3.571 3.476 3.640 . 14 0 "[ . 1 . 2]" 1
333 1 78 VAL HB 1 79 ASP H . . 4.350 4.147 4.053 4.195 . 0 0 "[ . 1 . 2]" 1
334 1 78 VAL QG 1 79 ASP H . . 3.410 2.440 2.243 2.568 . 0 0 "[ . 1 . 2]" 1
335 1 79 ASP HA 1 80 ALA H . . 3.350 2.593 2.412 2.691 . 0 0 "[ . 1 . 2]" 1
336 1 78 VAL HA 1 79 ASP HA . . 4.500 4.411 4.397 4.423 . 0 0 "[ . 1 . 2]" 1
337 1 79 ASP HA 1 80 ALA MB . . 4.490 4.240 4.169 4.301 . 0 0 "[ . 1 . 2]" 1
338 1 78 VAL QG 1 79 ASP HA . . 4.120 3.338 3.216 3.574 . 0 0 "[ . 1 . 2]" 1
339 1 79 ASP HB3 1 80 ALA MB . . 4.480 3.913 3.595 4.531 0.051 20 0 "[ . 1 . 2]" 1
340 1 79 ASP HB3 1 80 ALA H . . 3.450 2.352 2.040 3.049 . 0 0 "[ . 1 . 2]" 1
341 1 80 ALA HA 1 83 ALA H . . 4.560 3.805 3.694 3.877 . 0 0 "[ . 1 . 2]" 1
342 1 80 ALA HA 1 83 ALA MB . . 3.550 2.661 2.513 2.784 . 0 0 "[ . 1 . 2]" 1
343 1 56 TRP HE1 1 80 ALA MB . . 3.250 2.939 2.142 3.244 . 0 0 "[ . 1 . 2]" 1
344 1 80 ALA H 1 80 ALA MB . . 2.800 2.066 2.025 2.203 . 0 0 "[ . 1 . 2]" 1
345 1 80 ALA MB 1 81 ALA H . . 3.020 2.328 2.155 2.630 . 0 0 "[ . 1 . 2]" 1
346 1 79 ASP HB2 1 80 ALA MB . . 4.480 4.212 3.458 4.483 0.003 1 0 "[ . 1 . 2]" 1
347 1 81 ALA HA 1 84 ARG H . . 3.940 3.735 3.528 3.876 . 0 0 "[ . 1 . 2]" 1
348 1 82 SER HA 1 85 GLU H . . 3.730 3.495 3.342 3.644 . 0 0 "[ . 1 . 2]" 1
349 1 82 SER HA 1 85 GLU HG2 . . 4.400 4.059 3.693 4.404 0.004 12 0 "[ . 1 . 2]" 1
350 1 82 SER HA 1 85 GLU HB2 . . 3.280 2.720 2.474 2.925 . 0 0 "[ . 1 . 2]" 1
351 1 81 ALA MB 1 82 SER HA . . 4.110 3.699 3.608 3.752 . 0 0 "[ . 1 . 2]" 1
352 1 82 SER HB2 1 85 GLU H . . 5.500 5.496 5.329 5.533 0.033 19 0 "[ . 1 . 2]" 1
353 1 82 SER HB3 1 85 GLU H . . 5.500 5.513 5.493 5.535 0.035 19 0 "[ . 1 . 2]" 1
354 1 82 SER HB2 1 85 GLU HB2 . . 5.500 5.080 4.537 5.501 0.001 20 0 "[ . 1 . 2]" 1
355 1 82 SER HB3 1 85 GLU HB2 . . 5.500 4.857 4.422 5.458 . 0 0 "[ . 1 . 2]" 1
356 1 81 ALA MB 1 82 SER HB2 . . 5.500 4.624 4.185 5.022 . 0 0 "[ . 1 . 2]" 1
357 1 81 ALA MB 1 82 SER HB3 . . 5.500 4.631 4.035 5.044 . 0 0 "[ . 1 . 2]" 1
358 1 83 ALA MB 1 84 ARG H . . 3.330 2.427 2.277 2.564 . 0 0 "[ . 1 . 2]" 1
359 1 56 TRP HZ3 1 83 ALA MB . . 5.030 4.620 4.159 5.033 0.003 16 0 "[ . 1 . 2]" 1
360 1 79 ASP H 1 83 ALA MB . . 4.600 3.877 3.627 4.349 . 0 0 "[ . 1 . 2]" 1
361 1 80 ALA H 1 83 ALA MB . . 4.700 4.461 4.375 4.575 . 0 0 "[ . 1 . 2]" 1
362 1 56 TRP HB2 1 83 ALA MB . . 3.950 2.448 2.045 2.936 . 0 0 "[ . 1 . 2]" 1
363 1 56 TRP HB3 1 83 ALA MB . . 3.950 2.775 2.241 3.333 . 0 0 "[ . 1 . 2]" 1
364 1 51 LEU HG 1 84 ARG HB2 . . 5.500 4.764 4.505 5.119 . 0 0 "[ . 1 . 2]" 1
365 1 51 LEU HG 1 84 ARG HB3 . . 5.500 4.551 4.222 4.959 . 0 0 "[ . 1 . 2]" 1
366 1 84 ARG H 1 84 ARG HG2 . . 4.310 3.679 3.102 4.154 . 0 0 "[ . 1 . 2]" 1
367 1 51 LEU HG 1 84 ARG HG3 . . 3.760 2.699 2.148 3.622 . 0 0 "[ . 1 . 2]" 1
368 1 51 LEU HG 1 84 ARG HG2 . . 3.760 2.300 2.000 2.936 . 0 0 "[ . 1 . 2]" 1
369 1 84 ARG H 1 84 ARG HD2 . . 5.440 4.747 4.107 5.007 . 0 0 "[ . 1 . 2]" 1
370 1 51 LEU HG 1 84 ARG HD2 . . 4.250 3.116 2.009 4.158 . 0 0 "[ . 1 . 2]" 1
371 1 51 LEU HG 1 84 ARG HD3 . . 4.250 2.769 2.001 3.966 . 0 0 "[ . 1 . 2]" 1
372 1 84 ARG H 1 84 ARG HD3 . . 5.440 4.536 3.290 5.196 . 0 0 "[ . 1 . 2]" 1
373 1 85 GLU HA 1 88 LEU H . . 4.060 3.487 3.326 3.596 . 0 0 "[ . 1 . 2]" 1
374 1 85 GLU HA 1 85 GLU HB3 . . 3.000 2.468 2.414 2.515 . 0 0 "[ . 1 . 2]" 1
375 1 85 GLU HA 1 88 LEU HB3 . . 3.790 2.708 2.344 3.187 . 0 0 "[ . 1 . 2]" 1
376 1 85 GLU HB2 1 86 LEU H . . 3.780 2.539 2.329 2.774 . 0 0 "[ . 1 . 2]" 1
377 1 81 ALA MB 1 85 GLU HB2 . . 5.500 5.115 4.989 5.281 . 0 0 "[ . 1 . 2]" 1
378 1 85 GLU HB2 1 86 LEU MD1 . . 5.500 4.493 4.263 4.887 . 0 0 "[ . 1 . 2]" 1
379 1 85 GLU HB2 1 86 LEU MD2 . . 5.500 4.359 2.723 5.130 . 0 0 "[ . 1 . 2]" 1
380 1 85 GLU H 1 85 GLU HG2 . . 3.490 2.418 2.099 2.824 . 0 0 "[ . 1 . 2]" 1
381 1 85 GLU HG2 1 86 LEU H . . 4.720 4.434 4.254 4.646 . 0 0 "[ . 1 . 2]" 1
382 1 85 GLU HG3 1 86 LEU H . . 4.720 4.509 4.068 4.717 . 0 0 "[ . 1 . 2]" 1
383 1 82 SER HA 1 85 GLU HG3 . . 4.400 2.894 2.632 3.363 . 0 0 "[ . 1 . 2]" 1
384 1 81 ALA MB 1 85 GLU HG3 . . 4.550 3.647 3.396 3.976 . 0 0 "[ . 1 . 2]" 1
385 1 81 ALA MB 1 85 GLU HG2 . . 4.550 4.160 3.920 4.473 . 0 0 "[ . 1 . 2]" 1
386 1 83 ALA HA 1 86 LEU HG . . 4.510 4.051 3.787 4.457 . 0 0 "[ . 1 . 2]" 1
387 1 86 LEU MD2 1 87 MET H . . 5.500 4.647 4.166 4.801 . 0 0 "[ . 1 . 2]" 1
388 1 86 LEU MD1 1 87 MET ME . . 4.300 3.372 2.971 3.665 . 0 0 "[ . 1 . 2]" 1
389 1 86 LEU MD2 1 87 MET ME . . 4.300 3.893 3.543 4.305 0.005 1 0 "[ . 1 . 2]" 1
390 1 87 MET HA 1 87 MET HG2 . . 3.800 3.267 3.053 3.607 . 0 0 "[ . 1 . 2]" 1
391 1 87 MET HA 1 87 MET HG3 . . 3.800 3.255 2.152 3.781 . 0 0 "[ . 1 . 2]" 1
392 1 60 LEU MD2 1 87 MET HG2 . . 4.190 3.610 3.141 4.194 0.004 8 0 "[ . 1 . 2]" 1
393 1 60 LEU MD2 1 87 MET HG3 . . 4.190 3.860 3.184 4.196 0.006 7 0 "[ . 1 . 2]" 1
394 1 87 MET ME 1 93 MET H . . 4.750 3.697 3.145 4.748 . 0 0 "[ . 1 . 2]" 1
395 1 86 LEU HA 1 87 MET ME . . 4.090 4.070 3.966 4.100 0.010 14 0 "[ . 1 . 2]" 1
396 1 87 MET HA 1 87 MET ME . . 4.250 2.170 1.954 2.570 . 0 0 "[ . 1 . 2]" 1
397 1 47 LEU HG 1 88 LEU HA . . 4.290 2.689 2.156 3.614 . 0 0 "[ . 1 . 2]" 1
398 1 88 LEU HA 1 88 LEU MD1 . . 4.250 3.385 2.627 3.819 . 0 0 "[ . 1 . 2]" 1
399 1 88 LEU HA 1 88 LEU MD2 . . 4.250 3.008 1.951 3.818 . 0 0 "[ . 1 . 2]" 1
400 1 88 LEU HB3 1 89 ALA H . . 4.590 2.338 2.158 2.761 . 0 0 "[ . 1 . 2]" 1
401 1 88 LEU HA 1 88 LEU HG . . 3.840 2.755 2.408 3.692 . 0 0 "[ . 1 . 2]" 1
402 1 88 LEU H 1 88 LEU MD1 . . 4.990 4.185 3.584 4.266 . 0 0 "[ . 1 . 2]" 1
403 1 88 LEU H 1 88 LEU MD2 . . 4.990 4.041 3.591 4.350 . 0 0 "[ . 1 . 2]" 1
404 1 89 ALA MB 1 90 GLN H . . 3.180 2.526 2.384 2.927 . 0 0 "[ . 1 . 2]" 1
405 1 89 ALA H 1 89 ALA MB . . 2.820 2.191 2.049 2.255 . 0 0 "[ . 1 . 2]" 1
406 1 88 LEU H 1 89 ALA MB . . 4.760 4.434 4.258 4.584 . 0 0 "[ . 1 . 2]" 1
407 1 86 LEU HA 1 89 ALA MB . . 3.870 3.352 2.662 3.872 0.002 2 0 "[ . 1 . 2]" 1
408 1 89 ALA MB 1 90 GLN HG2 . . 4.430 3.139 2.612 4.406 . 0 0 "[ . 1 . 2]" 1
409 1 89 ALA MB 1 90 GLN HG3 . . 4.430 3.772 2.600 4.395 . 0 0 "[ . 1 . 2]" 1
410 1 90 GLN H 1 91 PRO HD2 . . 4.460 4.086 3.952 4.174 . 0 0 "[ . 1 . 2]" 1
411 1 87 MET HA 1 91 PRO HA . . 4.210 2.735 2.324 3.277 . 0 0 "[ . 1 . 2]" 1
412 1 42 LEU HG 1 91 PRO HB3 . . 3.710 2.181 2.000 2.762 . 0 0 "[ . 1 . 2]" 1
413 1 87 MET HA 1 91 PRO HB3 . . 5.070 4.404 3.834 5.070 . 0 0 "[ . 1 . 2]" 1
414 1 37 TYR HB2 1 91 PRO HB2 . . 4.270 3.446 2.635 4.272 0.002 13 0 "[ . 1 . 2]" 1
415 1 42 LEU HG 1 91 PRO HB2 . . 4.100 3.101 2.716 3.473 . 0 0 "[ . 1 . 2]" 1
416 1 42 LEU HG 1 91 PRO HG3 . . 3.980 2.929 2.088 3.475 . 0 0 "[ . 1 . 2]" 1
417 1 42 LEU HG 1 91 PRO HG2 . . 4.350 4.186 3.685 4.355 0.005 8 0 "[ . 1 . 2]" 1
418 1 12 ILE MG 1 92 SER HA . . 4.420 2.450 1.974 3.152 . 0 0 "[ . 1 . 2]" 1
419 1 12 ILE MD 1 92 SER HA . . 4.710 3.337 2.306 4.196 . 0 0 "[ . 1 . 2]" 1
420 1 12 ILE MG 1 92 SER HB2 . . 5.240 3.365 1.981 4.570 . 0 0 "[ . 1 . 2]" 1
421 1 12 ILE MG 1 92 SER HB3 . . 5.240 3.688 2.171 4.894 . 0 0 "[ . 1 . 2]" 1
422 1 66 THR MG 1 93 MET HB3 . . 4.900 3.786 1.961 4.573 . 0 0 "[ . 1 . 2]" 1
423 1 66 THR MG 1 93 MET HB2 . . 4.900 3.869 2.007 4.789 . 0 0 "[ . 1 . 2]" 1
424 1 93 MET H 1 93 MET HG2 . . 4.500 4.067 2.182 4.425 . 0 0 "[ . 1 . 2]" 1
425 1 93 MET H 1 93 MET HG3 . . 4.500 3.441 2.491 4.484 . 0 0 "[ . 1 . 2]" 1
426 1 66 THR MG 1 93 MET HG2 . . 4.030 2.660 1.956 4.040 0.010 1 0 "[ . 1 . 2]" 1
427 1 66 THR MG 1 93 MET HG3 . . 4.030 2.308 1.894 3.984 . 0 0 "[ . 1 . 2]" 1
428 1 94 VAL HA 1 95 LYS H . . 3.250 2.245 2.171 2.418 . 0 0 "[ . 1 . 2]" 1
429 1 94 VAL HA 1 94 VAL MG1 . . 3.580 2.364 2.302 2.411 . 0 0 "[ . 1 . 2]" 1
430 1 94 VAL HA 1 94 VAL MG2 . . 3.580 2.564 2.363 3.193 . 0 0 "[ . 1 . 2]" 1
431 1 94 VAL MG2 1 95 LYS H . . 4.360 3.809 3.250 3.992 . 0 0 "[ . 1 . 2]" 1
432 1 94 VAL MG1 1 95 LYS H . . 4.360 2.506 1.970 3.912 . 0 0 "[ . 1 . 2]" 1
433 1 95 LYS HA 1 96 ARG HB2 . . 5.500 5.431 4.106 5.595 0.095 14 0 "[ . 1 . 2]" 1
434 1 95 LYS HA 1 96 ARG HB3 . . 5.500 4.639 4.007 5.603 0.103 15 0 "[ . 1 . 2]" 1
435 1 21 ALA MB 1 97 PRO HD2 . . 4.280 4.034 3.799 4.287 0.007 13 0 "[ . 1 . 2]" 1
436 1 21 ALA HA 1 97 PRO HG2 . . 5.500 5.494 5.370 5.529 0.029 17 0 "[ . 1 . 2]" 1
437 1 21 ALA MB 1 97 PRO HG2 . . 3.920 3.332 3.172 3.561 . 0 0 "[ . 1 . 2]" 1
438 1 21 ALA MB 1 97 PRO HB3 . . 4.470 2.855 2.504 3.216 . 0 0 "[ . 1 . 2]" 1
439 1 9 ILE MG 1 97 PRO HB2 . . 5.130 4.985 4.710 5.143 0.013 8 0 "[ . 1 . 2]" 1
440 1 98 VAL HA 1 98 VAL MG2 . . 3.750 2.305 2.269 2.329 . 0 0 "[ . 1 . 2]" 1
441 1 98 VAL HA 1 98 VAL MG1 . . 3.610 2.347 2.297 2.406 . 0 0 "[ . 1 . 2]" 1
442 1 98 VAL MG2 1 99 LEU H . . 4.010 3.979 3.906 4.042 0.032 4 0 "[ . 1 . 2]" 1
443 1 10 TYR HA 1 98 VAL MG2 . . 5.500 5.466 5.245 5.520 0.020 4 0 "[ . 1 . 2]" 1
444 1 50 PHE HE1 1 98 VAL MG1 . . 4.250 4.142 3.632 4.252 0.002 9 0 "[ . 1 . 2]" 1
445 1 10 TYR HB3 1 98 VAL MG1 . . 4.660 4.149 2.800 4.657 . 0 0 "[ . 1 . 2]" 1
446 1 9 ILE HB 1 99 LEU HA . . 3.900 3.845 3.653 3.914 0.014 16 0 "[ . 1 . 2]" 1
447 1 98 VAL MG1 1 99 LEU HA . . 4.750 3.709 3.529 3.815 . 0 0 "[ . 1 . 2]" 1
448 1 98 VAL MG1 1 105 LEU HA . . 4.800 3.697 3.321 3.981 . 0 0 "[ . 1 . 2]" 1
449 1 98 VAL MG2 1 99 LEU HA . . 5.500 5.542 5.509 5.564 0.064 8 0 "[ . 1 . 2]" 1
450 1 98 VAL MG1 1 100 GLU HG2 . . 5.430 5.244 4.680 5.435 0.005 5 0 "[ . 1 . 2]" 1
451 1 98 VAL MG1 1 100 GLU HG3 . . 5.430 4.603 4.132 5.376 . 0 0 "[ . 1 . 2]" 1
452 1 100 GLU HG3 1 101 ARG H . . 4.840 4.158 3.738 4.533 . 0 0 "[ . 1 . 2]" 1
453 1 100 GLU HG2 1 101 ARG H . . 4.840 2.773 2.270 3.180 . 0 0 "[ . 1 . 2]" 1
454 1 98 VAL MG2 1 105 LEU HG . . 4.720 3.879 3.638 4.295 . 0 0 "[ . 1 . 2]" 1
455 1 105 LEU MD1 1 106 MET H . . 4.930 3.353 2.960 4.314 . 0 0 "[ . 1 . 2]" 1
456 1 105 LEU MD2 1 106 MET H . . 4.930 4.025 2.713 4.727 . 0 0 "[ . 1 . 2]" 1
457 1 50 PHE HE1 1 105 LEU MD1 . . 4.550 2.048 1.890 2.556 . 0 0 "[ . 1 . 2]" 1
458 1 50 PHE HE1 1 105 LEU MD2 . . 4.550 3.302 2.108 4.555 0.005 2 0 "[ . 1 . 2]" 1
459 1 98 VAL MG1 1 105 LEU MD1 . . 3.370 2.079 1.897 3.362 . 0 0 "[ . 1 . 2]" 1
460 1 98 VAL MG1 1 105 LEU MD2 . . 3.370 2.128 1.860 2.838 . 0 0 "[ . 1 . 2]" 1
461 1 107 VAL MG2 1 108 GLY H . . 4.540 3.867 2.448 4.097 . 0 0 "[ . 1 . 2]" 1
462 1 97 PRO HD2 1 108 GLY HA2 . . 4.300 3.895 3.623 4.304 0.004 16 0 "[ . 1 . 2]" 1
463 1 97 PRO HD2 1 108 GLY HA3 . . 4.300 2.194 1.998 2.566 . 0 0 "[ . 1 . 2]" 1
464 1 110 LYS H 1 111 PRO HD2 . . 4.770 4.714 4.709 4.723 . 0 0 "[ . 1 . 2]" 1
465 1 110 LYS HB3 1 111 PRO HD2 . . 4.040 2.073 1.977 2.194 . 0 0 "[ . 1 . 2]" 1
466 1 111 PRO HD2 1 112 ALA MB . . 4.250 3.992 3.851 4.010 . 0 0 "[ . 1 . 2]" 1
467 1 111 PRO HD3 1 112 ALA MB . . 5.390 5.248 5.184 5.258 . 0 0 "[ . 1 . 2]" 1
468 1 110 LYS HB3 1 111 PRO HD3 . . 4.230 3.505 3.430 3.603 . 0 0 "[ . 1 . 2]" 1
469 1 111 PRO HB2 1 112 ALA H . . 4.310 2.928 2.921 2.933 . 0 0 "[ . 1 . 2]" 1
470 1 111 PRO HB3 1 112 ALA H . . 4.310 3.906 3.903 3.909 . 0 0 "[ . 1 . 2]" 1
471 1 24 TRP HD1 1 111 PRO HA . . 4.340 3.918 3.616 4.338 . 0 0 "[ . 1 . 2]" 1
472 1 111 PRO HA 1 113 GLN H . . 4.530 4.427 4.374 4.499 . 0 0 "[ . 1 . 2]" 1
473 1 111 PRO HA 1 114 TYR HB3 . . 4.160 3.232 3.166 3.324 . 0 0 "[ . 1 . 2]" 1
474 1 111 PRO HA 1 114 TYR HB2 . . 4.690 3.278 3.230 3.343 . 0 0 "[ . 1 . 2]" 1
475 1 112 ALA HA 1 115 GLU H . . 4.240 3.801 3.768 3.834 . 0 0 "[ . 1 . 2]" 1
476 1 112 ALA HA 1 115 GLU HG2 . . 4.540 4.547 4.538 4.553 0.013 14 0 "[ . 1 . 2]" 1
477 1 112 ALA HA 1 115 GLU HB2 . . 3.560 3.124 3.083 3.160 . 0 0 "[ . 1 . 2]" 1
478 1 114 TYR HB3 1 115 GLU HA . . 4.150 3.960 3.915 3.977 . 0 0 "[ . 1 . 2]" 1
479 1 115 GLU HA 1 118 PHE HD2 . . 4.640 4.330 3.553 4.644 0.004 12 0 "[ . 1 . 2]" 1
480 1 113 GLN H 1 113 GLN HB2 . . 3.810 2.581 2.474 2.644 . 0 0 "[ . 1 . 2]" 1
481 1 110 LYS HB2 1 113 GLN HB2 . . 4.380 2.963 2.665 3.169 . 0 0 "[ . 1 . 2]" 1
482 1 110 LYS HB2 1 113 GLN HB3 . . 4.380 4.250 4.043 4.384 0.004 7 0 "[ . 1 . 2]" 1
483 1 113 GLN H 1 113 GLN HB3 . . 3.810 3.599 3.595 3.603 . 0 0 "[ . 1 . 2]" 1
484 1 115 GLU HG2 1 116 ALA H . . 4.470 4.333 4.289 4.397 . 0 0 "[ . 1 . 2]" 1
485 1 115 GLU HA 1 115 GLU HG2 . . 3.690 2.599 2.538 2.639 . 0 0 "[ . 1 . 2]" 1
486 1 114 TYR HB3 1 115 GLU HG2 . . 4.450 3.009 2.955 3.111 . 0 0 "[ . 1 . 2]" 1
487 1 115 GLU HG3 1 116 ALA MB . . 5.500 5.508 5.501 5.516 0.016 9 0 "[ . 1 . 2]" 1
488 1 114 TYR HB3 1 115 GLU HG3 . . 4.840 4.311 4.259 4.357 . 0 0 "[ . 1 . 2]" 1
489 1 112 ALA HA 1 115 GLU HG3 . . 3.640 3.237 3.118 3.341 . 0 0 "[ . 1 . 2]" 1
490 1 115 GLU HG3 1 116 ALA H . . 4.420 4.293 4.231 4.325 . 0 0 "[ . 1 . 2]" 1
491 1 115 GLU H 1 115 GLU HG3 . . 3.900 2.926 2.836 2.993 . 0 0 "[ . 1 . 2]" 1
492 1 114 TYR HA 1 114 TYR HD1 . . 3.450 2.182 2.123 2.300 . 0 0 "[ . 1 . 2]" 1
493 1 114 TYR HA 1 117 TYR H . . 4.350 3.724 3.655 3.869 . 0 0 "[ . 1 . 2]" 1
494 1 114 TYR HA 1 117 TYR HB2 . . 4.110 3.697 3.170 4.023 . 0 0 "[ . 1 . 2]" 1
495 1 114 TYR HA 1 117 TYR HB3 . . 4.110 3.072 2.732 3.998 . 0 0 "[ . 1 . 2]" 1
496 1 113 GLN HG2 1 114 TYR H . . 4.870 4.031 3.924 4.206 . 0 0 "[ . 1 . 2]" 1
497 1 113 GLN H 1 113 GLN HG2 . . 4.050 2.104 1.995 2.290 . 0 0 "[ . 1 . 2]" 1
498 1 110 LYS H 1 113 GLN HG2 . . 4.480 4.138 3.906 4.348 . 0 0 "[ . 1 . 2]" 1
499 1 113 GLN HA 1 113 GLN HG2 . . 4.050 3.209 3.020 3.354 . 0 0 "[ . 1 . 2]" 1
500 1 110 LYS HB2 1 113 GLN HG2 . . 4.610 2.297 2.138 2.556 . 0 0 "[ . 1 . 2]" 1
501 1 110 LYS HB2 1 113 GLN HG3 . . 4.610 2.662 2.354 2.857 . 0 0 "[ . 1 . 2]" 1
502 1 113 GLN HA 1 113 GLN HG3 . . 4.050 3.781 3.697 3.837 . 0 0 "[ . 1 . 2]" 1
503 1 110 LYS H 1 113 GLN HG3 . . 4.480 3.835 3.609 4.045 . 0 0 "[ . 1 . 2]" 1
504 1 113 GLN HG3 1 114 TYR H . . 4.870 4.727 4.624 4.858 . 0 0 "[ . 1 . 2]" 1
505 1 112 ALA MB 1 115 GLU HB2 . . 4.520 4.513 4.459 4.531 0.011 16 0 "[ . 1 . 2]" 1
506 1 24 TRP HZ2 1 115 GLU HB3 . . 4.490 3.836 3.628 4.052 . 0 0 "[ . 1 . 2]" 1
507 1 116 ALA HA 1 119 LYS HB2 . . 4.320 3.578 2.431 4.264 . 0 0 "[ . 1 . 2]" 1
508 1 116 ALA HA 1 119 LYS H . . 4.210 3.881 3.700 4.124 . 0 0 "[ . 1 . 2]" 1
509 1 116 ALA MB 1 117 TYR H . . 3.370 2.771 2.397 2.937 . 0 0 "[ . 1 . 2]" 1
510 1 116 ALA H 1 116 ALA MB . . 2.770 2.135 2.038 2.190 . 0 0 "[ . 1 . 2]" 1
511 1 116 ALA MB 1 117 TYR HA . . 4.070 3.840 3.731 3.887 . 0 0 "[ . 1 . 2]" 1
512 1 116 ALA MB 1 117 TYR HB2 . . 5.060 4.014 3.812 4.199 . 0 0 "[ . 1 . 2]" 1
513 1 116 ALA MB 1 117 TYR HB3 . . 5.060 4.809 4.567 5.082 0.022 12 0 "[ . 1 . 2]" 1
514 1 116 ALA HA 1 119 LYS HB3 . . 4.320 3.448 2.706 4.295 . 0 0 "[ . 1 . 2]" 1
515 1 119 LYS H 1 119 LYS HB3 . . 4.170 2.660 2.291 3.502 . 0 0 "[ . 1 . 2]" 1
516 1 24 TRP HE1 1 115 GLU HG3 . . 4.870 2.716 2.526 2.962 . 0 0 "[ . 1 . 2]" 1
517 1 24 TRP HE1 1 115 GLU HG2 . . 4.940 2.331 2.063 2.726 . 0 0 "[ . 1 . 2]" 1
518 1 114 TYR H 1 114 TYR HB2 . . 4.050 2.180 2.171 2.184 . 0 0 "[ . 1 . 2]" 1
519 1 32 TYR HD2 1 99 LEU MD1 . . 5.500 3.956 2.678 4.879 . 0 0 "[ . 1 . 2]" 1
520 1 32 TYR HD2 1 99 LEU MD2 . . 5.500 4.401 3.891 5.047 . 0 0 "[ . 1 . 2]" 1
521 1 32 TYR HD2 1 99 LEU HG . . 4.430 3.826 3.232 4.447 0.017 17 0 "[ . 1 . 2]" 1
522 1 9 ILE HB 1 99 LEU HG . . 3.930 3.408 2.883 3.865 . 0 0 "[ . 1 . 2]" 1
523 1 60 LEU HG 1 61 ASN HD21 . . 4.920 4.889 4.646 4.943 0.023 20 0 "[ . 1 . 2]" 1
524 1 59 LEU H 1 60 LEU HG . . 4.280 3.962 3.530 4.156 . 0 0 "[ . 1 . 2]" 1
525 1 60 LEU HG 1 62 ARG HD2 . . 5.010 3.681 3.113 4.471 . 0 0 "[ . 1 . 2]" 1
526 1 60 LEU HG 1 62 ARG HD3 . . 5.010 4.741 4.054 5.025 0.015 10 0 "[ . 1 . 2]" 1
527 1 51 LEU H 1 51 LEU MD2 . . 4.480 3.610 3.295 3.763 . 0 0 "[ . 1 . 2]" 1
528 1 44 ALA HA 1 47 LEU HG . . 4.420 4.396 4.273 4.433 0.013 8 0 "[ . 1 . 2]" 1
529 1 47 LEU HG 1 88 LEU HB2 . . 3.060 2.386 2.078 2.848 . 0 0 "[ . 1 . 2]" 1
530 1 47 LEU MD1 1 88 LEU HB2 . . 4.150 3.633 3.166 3.960 . 0 0 "[ . 1 . 2]" 1
531 1 47 LEU MD2 1 88 LEU HB2 . . 4.150 3.627 2.996 4.155 0.005 14 0 "[ . 1 . 2]" 1
532 1 42 LEU MD1 1 46 THR HB . . 4.630 2.307 1.912 2.884 . 0 0 "[ . 1 . 2]" 1
533 1 42 LEU MD2 1 46 THR HB . . 4.630 2.415 1.983 4.545 . 0 0 "[ . 1 . 2]" 1
534 1 35 HIS HA 1 36 ASP HB2 . . 4.630 4.303 4.196 4.460 . 0 0 "[ . 1 . 2]" 1
535 1 8 THR MG 1 35 HIS HA . . 4.950 4.639 4.050 4.961 0.011 1 0 "[ . 1 . 2]" 1
536 1 33 THR MG 1 35 HIS HA . . 5.150 4.505 3.941 4.827 . 0 0 "[ . 1 . 2]" 1
537 1 110 LYS HB2 1 113 GLN H . . 4.430 3.258 3.069 3.420 . 0 0 "[ . 1 . 2]" 1
538 1 28 HIS HA 1 28 HIS HD2 . . 4.240 3.178 2.219 4.158 . 0 0 "[ . 1 . 2]" 1
539 1 56 TRP HZ2 1 79 ASP HA . . 4.320 4.055 3.350 4.320 . 0 0 "[ . 1 . 2]" 1
540 1 56 TRP HZ2 1 80 ALA MB . . 5.050 4.643 3.991 5.051 0.001 19 0 "[ . 1 . 2]" 1
541 1 24 TRP HA 1 24 TRP HD1 . . 4.550 3.445 3.235 3.606 . 0 0 "[ . 1 . 2]" 1
542 1 24 TRP HD1 1 111 PRO HB2 . . 4.240 3.887 3.508 4.146 . 0 0 "[ . 1 . 2]" 1
543 1 24 TRP HD1 1 111 PRO HB3 . . 4.240 3.224 2.868 3.487 . 0 0 "[ . 1 . 2]" 1
544 1 56 TRP H 1 56 TRP HD1 . . 3.360 2.374 2.224 2.676 . 0 0 "[ . 1 . 2]" 1
545 1 55 PRO HA 1 56 TRP HD1 . . 4.500 3.927 3.745 4.272 . 0 0 "[ . 1 . 2]" 1
546 1 56 TRP HD1 1 80 ALA HA . . 3.790 3.329 3.004 3.712 . 0 0 "[ . 1 . 2]" 1
547 1 56 TRP HD1 1 80 ALA MB . . 3.720 3.527 2.894 3.727 0.007 12 0 "[ . 1 . 2]" 1
548 1 117 TYR HD1 1 118 PHE H . . 5.500 5.246 4.823 5.471 . 0 0 "[ . 1 . 2]" 1
549 1 117 TYR HD2 1 118 PHE H . . 5.500 4.125 2.766 5.500 . 0 0 "[ . 1 . 2]" 1
550 1 117 TYR HA 1 117 TYR HD1 . . 4.940 2.520 2.156 3.093 . 0 0 "[ . 1 . 2]" 1
551 1 50 PHE HA 1 50 PHE HD1 . . 3.420 2.163 2.028 2.373 . 0 0 "[ . 1 . 2]" 1
552 1 47 LEU HA 1 50 PHE HD2 . . 4.250 2.791 2.280 3.107 . 0 0 "[ . 1 . 2]" 1
553 1 31 ASP HA 1 32 TYR HD1 . . 4.320 3.788 3.122 4.145 . 0 0 "[ . 1 . 2]" 1
554 1 25 LEU HG 1 32 TYR HD2 . . 4.220 3.540 2.813 4.179 . 0 0 "[ . 1 . 2]" 1
555 1 34 PHE HA 1 34 PHE HD1 . . 3.850 2.209 2.098 2.376 . 0 0 "[ . 1 . 2]" 1
556 1 67 PHE HA 1 67 PHE QD . . 4.070 3.040 2.914 3.120 . 0 0 "[ . 1 . 2]" 1
557 1 62 ARG HA 1 67 PHE QD . . 3.870 3.334 2.663 3.798 . 0 0 "[ . 1 . 2]" 1
558 1 67 PHE QD 1 68 ARG HG3 . . 3.990 3.431 2.812 3.977 . 0 0 "[ . 1 . 2]" 1
559 1 67 PHE QD 1 68 ARG HG2 . . 4.420 3.848 3.422 4.403 . 0 0 "[ . 1 . 2]" 1
560 1 118 PHE H 1 118 PHE HD2 . . 5.330 4.518 3.675 4.997 . 0 0 "[ . 1 . 2]" 1
561 1 118 PHE H 1 118 PHE HD1 . . 5.500 4.745 4.406 4.996 . 0 0 "[ . 1 . 2]" 1
562 1 24 TRP HZ3 1 118 PHE HD2 . . 4.920 4.523 3.950 4.922 0.002 1 0 "[ . 1 . 2]" 1
563 1 12 ILE MG 1 37 TYR QD . . 3.990 2.194 1.904 2.612 . 0 0 "[ . 1 . 2]" 1
564 1 114 TYR HD2 1 115 GLU H . . 5.500 4.618 4.458 4.671 . 0 0 "[ . 1 . 2]" 1
565 1 114 TYR HD1 1 115 GLU H . . 5.500 5.341 5.300 5.397 . 0 0 "[ . 1 . 2]" 1
566 1 114 TYR H 1 114 TYR HD1 . . 3.990 3.991 3.966 4.003 0.013 7 0 "[ . 1 . 2]" 1
567 1 24 TRP HZ3 1 114 TYR HD2 . . 3.700 3.447 3.231 3.652 . 0 0 "[ . 1 . 2]" 1
568 1 24 TRP HE3 1 114 TYR HD2 . . 3.920 3.840 3.575 3.926 0.006 12 0 "[ . 1 . 2]" 1
569 1 9 ILE MG 1 32 TYR HE2 . . 4.970 4.132 2.201 4.908 . 0 0 "[ . 1 . 2]" 1
570 1 24 TRP HZ2 1 115 GLU H . . 4.350 3.982 3.762 4.291 . 0 0 "[ . 1 . 2]" 1
571 1 24 TRP HZ2 1 115 GLU HA . . 3.380 2.779 2.558 3.099 . 0 0 "[ . 1 . 2]" 1
572 1 24 TRP HZ2 1 115 GLU HG2 . . 3.720 2.155 1.999 2.366 . 0 0 "[ . 1 . 2]" 1
573 1 24 TRP HZ2 1 115 GLU HG3 . . 3.920 3.708 3.535 3.924 0.004 14 0 "[ . 1 . 2]" 1
574 1 24 TRP HZ2 1 115 GLU HB2 . . 4.930 4.529 4.317 4.732 . 0 0 "[ . 1 . 2]" 1
575 1 56 TRP HH2 1 79 ASP HA . . 5.050 4.814 3.926 5.053 0.003 8 0 "[ . 1 . 2]" 1
576 1 24 TRP HH2 1 118 PHE HD2 . . 3.950 2.867 2.436 3.900 . 0 0 "[ . 1 . 2]" 1
577 1 24 TRP HH2 1 115 GLU HA . . 4.220 4.040 3.785 4.222 0.002 1 0 "[ . 1 . 2]" 1
578 1 24 TRP HZ3 1 25 LEU MD1 . . 4.390 3.760 3.227 4.398 0.008 17 0 "[ . 1 . 2]" 1
579 1 24 TRP HZ3 1 25 LEU MD2 . . 4.770 3.989 3.385 4.584 . 0 0 "[ . 1 . 2]" 1
580 1 24 TRP HE3 1 25 LEU HA . . 3.960 2.640 2.276 2.925 . 0 0 "[ . 1 . 2]" 1
581 1 24 TRP HE3 1 25 LEU MD2 . . 3.870 2.370 1.982 2.867 . 0 0 "[ . 1 . 2]" 1
582 1 67 PHE QE 1 78 VAL QG . . 3.720 3.379 2.503 3.681 . 0 0 "[ . 1 . 2]" 1
583 1 12 ILE MG 1 37 TYR QE . . 3.950 3.377 2.276 3.913 . 0 0 "[ . 1 . 2]" 1
584 1 13 LYS H 1 34 PHE HZ . . 5.460 4.948 3.596 5.464 0.004 3 0 "[ . 1 . 2]" 1
585 1 12 ILE HA 1 34 PHE HZ . . 4.890 4.528 3.864 4.888 . 0 0 "[ . 1 . 2]" 1
586 1 13 LYS HA 1 34 PHE HZ . . 4.860 3.878 2.497 4.606 . 0 0 "[ . 1 . 2]" 1
587 1 18 MET ME 1 34 PHE HZ . . 4.690 4.150 3.452 4.696 0.006 6 0 "[ . 1 . 2]" 1
588 1 6 SER H 1 7 VAL H . . 4.610 4.374 3.717 4.579 . 0 0 "[ . 1 . 2]" 1
589 1 5 MET HA 1 6 SER H . . 3.530 2.489 2.145 3.512 . 0 0 "[ . 1 . 2]" 1
590 1 5 MET HG2 1 6 SER H . . 4.810 4.080 2.858 4.814 0.004 14 0 "[ . 1 . 2]" 1
591 1 5 MET HG3 1 6 SER H . . 4.810 4.121 2.578 4.753 . 0 0 "[ . 1 . 2]" 1
592 1 7 VAL H 1 32 TYR HA . . 4.540 3.710 3.264 4.465 . 0 0 "[ . 1 . 2]" 1
593 1 6 SER HA 1 7 VAL H . . 3.100 2.288 2.142 2.572 . 0 0 "[ . 1 . 2]" 1
594 1 7 VAL H 1 7 VAL HB . . 3.570 2.759 2.500 3.635 0.065 2 0 "[ . 1 . 2]" 1
595 1 7 VAL H 1 7 VAL MG1 . . 4.490 3.425 1.956 3.922 . 0 0 "[ . 1 . 2]" 1
596 1 7 VAL H 1 7 VAL MG2 . . 4.490 2.834 1.974 3.909 . 0 0 "[ . 1 . 2]" 1
597 1 8 THR H 1 8 THR HB . . 3.800 2.743 2.600 3.023 . 0 0 "[ . 1 . 2]" 1
598 1 7 VAL HB 1 8 THR H . . 4.770 3.887 2.110 4.260 . 0 0 "[ . 1 . 2]" 1
599 1 8 THR H 1 100 GLU HB2 . . 5.430 5.151 4.734 5.412 . 0 0 "[ . 1 . 2]" 1
600 1 8 THR H 1 100 GLU HB3 . . 5.430 3.904 3.538 4.258 . 0 0 "[ . 1 . 2]" 1
601 1 7 VAL MG1 1 8 THR H . . 4.480 2.567 1.976 4.075 . 0 0 "[ . 1 . 2]" 1
602 1 7 VAL MG2 1 8 THR H . . 4.480 3.613 2.087 4.192 . 0 0 "[ . 1 . 2]" 1
603 1 8 THR H 1 8 THR MG . . 4.720 3.883 3.837 3.958 . 0 0 "[ . 1 . 2]" 1
604 1 9 ILE H 1 33 THR H . . 4.430 3.374 2.884 3.750 . 0 0 "[ . 1 . 2]" 1
605 1 8 THR HA 1 9 ILE H . . 3.260 2.172 2.145 2.242 . 0 0 "[ . 1 . 2]" 1
606 1 9 ILE H 1 9 ILE MG . . 3.810 2.045 1.956 2.145 . 0 0 "[ . 1 . 2]" 1
607 1 10 TYR H 1 10 TYR HD1 . . 5.500 3.110 2.362 5.166 . 0 0 "[ . 1 . 2]" 1
608 1 10 TYR H 1 10 TYR HD2 . . 5.500 4.906 3.073 5.409 . 0 0 "[ . 1 . 2]" 1
609 1 9 ILE HB 1 10 TYR H . . 4.520 4.036 3.968 4.066 . 0 0 "[ . 1 . 2]" 1
610 1 11 GLY H 1 37 TYR H . . 4.220 3.569 3.282 3.775 . 0 0 "[ . 1 . 2]" 1
611 1 11 GLY H 1 34 PHE HE1 . . 4.740 4.048 3.504 4.586 . 0 0 "[ . 1 . 2]" 1
612 1 11 GLY H 1 36 ASP HA . . 4.710 2.967 2.738 3.411 . 0 0 "[ . 1 . 2]" 1
613 1 12 ILE H 1 18 MET HG2 . . 4.710 3.542 2.383 3.868 . 0 0 "[ . 1 . 2]" 1
614 1 12 ILE H 1 18 MET HG3 . . 4.710 2.441 2.079 3.068 . 0 0 "[ . 1 . 2]" 1
615 1 12 ILE H 1 12 ILE HG12 . . 4.140 2.407 2.135 2.822 . 0 0 "[ . 1 . 2]" 1
616 1 12 ILE H 1 12 ILE MD . . 4.560 3.869 1.974 4.072 . 0 0 "[ . 1 . 2]" 1
617 1 12 ILE H 1 12 ILE HG13 . . 4.140 3.094 2.550 3.833 . 0 0 "[ . 1 . 2]" 1
618 1 12 ILE HB 1 13 LYS H . . 3.880 2.209 2.069 2.862 . 0 0 "[ . 1 . 2]" 1
619 1 14 ASN HA 1 15 CYS H . . 3.130 2.646 2.397 2.987 . 0 0 "[ . 1 . 2]" 1
620 1 13 LYS HA 1 15 CYS H . . 5.130 3.889 3.191 4.316 . 0 0 "[ . 1 . 2]" 1
621 1 15 CYS H 1 15 CYS HB2 . . 3.790 3.335 2.725 3.801 0.011 9 0 "[ . 1 . 2]" 1
622 1 15 CYS H 1 15 CYS HB3 . . 3.790 3.083 2.733 3.620 . 0 0 "[ . 1 . 2]" 1
623 1 12 ILE MD 1 15 CYS H . . 5.240 4.241 3.392 5.242 0.002 7 0 "[ . 1 . 2]" 1
624 1 17 THR H 1 18 MET H . . 3.460 2.835 2.726 2.977 . 0 0 "[ . 1 . 2]" 1
625 1 17 THR H 1 19 LYS H . . 4.940 4.312 4.082 4.574 . 0 0 "[ . 1 . 2]" 1
626 1 17 THR H 1 17 THR HB . . 3.570 2.828 2.468 3.053 . 0 0 "[ . 1 . 2]" 1
627 1 18 MET H 1 19 LYS H . . 4.040 2.778 2.602 2.916 . 0 0 "[ . 1 . 2]" 1
628 1 17 THR HB 1 18 MET H . . 4.000 2.695 2.237 3.980 . 0 0 "[ . 1 . 2]" 1
629 1 18 MET H 1 18 MET HG2 . . 4.440 2.666 2.000 3.964 . 0 0 "[ . 1 . 2]" 1
630 1 18 MET H 1 18 MET HG3 . . 4.440 3.568 2.857 4.446 0.006 12 0 "[ . 1 . 2]" 1
631 1 16 ASP HA 1 19 LYS H . . 4.930 3.450 3.228 3.656 . 0 0 "[ . 1 . 2]" 1
632 1 19 LYS H 1 20 LYS H . . 4.280 2.826 2.713 2.917 . 0 0 "[ . 1 . 2]" 1
633 1 19 LYS HB2 1 20 LYS H . . 4.470 3.508 2.855 3.721 . 0 0 "[ . 1 . 2]" 1
634 1 19 LYS HB3 1 20 LYS H . . 4.470 2.391 2.336 2.790 . 0 0 "[ . 1 . 2]" 1
635 1 21 ALA H 1 22 ARG H . . 3.590 2.792 2.637 2.881 . 0 0 "[ . 1 . 2]" 1
636 1 20 LYS H 1 21 ALA H . . 3.560 2.717 2.592 2.872 . 0 0 "[ . 1 . 2]" 1
637 1 17 THR HA 1 21 ALA H . . 4.840 4.211 4.077 4.342 . 0 0 "[ . 1 . 2]" 1
638 1 21 ALA H 1 21 ALA MB . . 3.130 2.151 2.033 2.237 . 0 0 "[ . 1 . 2]" 1
639 1 22 ARG H 1 23 ILE H . . 3.680 2.754 2.639 2.820 . 0 0 "[ . 1 . 2]" 1
640 1 18 MET HA 1 22 ARG H . . 4.830 3.872 3.628 4.129 . 0 0 "[ . 1 . 2]" 1
641 1 19 LYS HA 1 22 ARG H . . 4.330 3.745 3.602 3.816 . 0 0 "[ . 1 . 2]" 1
642 1 22 ARG H 1 22 ARG HD2 . . 4.970 4.390 2.025 4.946 . 0 0 "[ . 1 . 2]" 1
643 1 22 ARG H 1 22 ARG HD3 . . 4.970 4.304 3.399 4.973 0.003 17 0 "[ . 1 . 2]" 1
644 1 22 ARG H 1 22 ARG HB2 . . 3.860 2.406 2.201 3.588 . 0 0 "[ . 1 . 2]" 1
645 1 22 ARG H 1 22 ARG HB3 . . 3.860 3.508 2.602 3.588 . 0 0 "[ . 1 . 2]" 1
646 1 22 ARG H 1 22 ARG HG2 . . 4.000 3.254 2.006 3.989 . 0 0 "[ . 1 . 2]" 1
647 1 22 ARG H 1 22 ARG HG3 . . 4.000 2.960 2.338 3.958 . 0 0 "[ . 1 . 2]" 1
648 1 21 ALA MB 1 22 ARG H . . 3.540 2.430 2.303 2.555 . 0 0 "[ . 1 . 2]" 1
649 1 9 ILE MD 1 22 ARG H . . 4.900 4.565 3.928 4.910 0.010 2 0 "[ . 1 . 2]" 1
650 1 23 ILE H 1 23 ILE HG13 . . 3.990 2.100 2.046 2.273 . 0 0 "[ . 1 . 2]" 1
651 1 23 ILE H 1 23 ILE MG . . 4.060 3.763 3.755 3.765 . 0 0 "[ . 1 . 2]" 1
652 1 24 TRP H 1 24 TRP HB2 . . 3.610 2.259 2.209 2.349 . 0 0 "[ . 1 . 2]" 1
653 1 24 TRP H 1 24 TRP HB3 . . 3.610 2.861 2.749 2.928 . 0 0 "[ . 1 . 2]" 1
654 1 23 ILE HB 1 24 TRP H . . 3.820 2.715 2.385 2.791 . 0 0 "[ . 1 . 2]" 1
655 1 23 ILE MG 1 24 TRP H . . 4.210 3.529 3.112 3.612 . 0 0 "[ . 1 . 2]" 1
656 1 24 TRP H 1 25 LEU MD2 . . 4.800 4.095 4.006 4.262 . 0 0 "[ . 1 . 2]" 1
657 1 24 TRP H 1 25 LEU H . . 3.840 2.717 2.580 2.897 . 0 0 "[ . 1 . 2]" 1
658 1 24 TRP HE3 1 25 LEU H . . 4.880 3.468 3.149 3.894 . 0 0 "[ . 1 . 2]" 1
659 1 25 LEU H 1 25 LEU HB2 . . 3.650 2.181 2.138 2.230 . 0 0 "[ . 1 . 2]" 1
660 1 25 LEU H 1 25 LEU MD2 . . 4.100 2.223 1.980 2.481 . 0 0 "[ . 1 . 2]" 1
661 1 25 LEU H 1 25 LEU HG . . 4.330 3.963 3.887 4.095 . 0 0 "[ . 1 . 2]" 1
662 1 23 ILE HA 1 26 GLU H . . 4.340 3.734 3.596 3.818 . 0 0 "[ . 1 . 2]" 1
663 1 26 GLU H 1 26 GLU HG3 . . 4.080 3.193 2.338 3.978 . 0 0 "[ . 1 . 2]" 1
664 1 25 LEU HG 1 26 GLU H . . 5.370 5.047 4.918 5.195 . 0 0 "[ . 1 . 2]" 1
665 1 26 GLU H 1 27 ASP H . . 3.580 2.627 2.535 2.741 . 0 0 "[ . 1 . 2]" 1
666 1 27 ASP H 1 28 HIS H . . 3.620 2.719 2.481 2.823 . 0 0 "[ . 1 . 2]" 1
667 1 23 ILE HA 1 27 ASP H . . 4.610 3.754 3.507 3.935 . 0 0 "[ . 1 . 2]" 1
668 1 27 ASP H 1 27 ASP HB2 . . 3.640 2.598 2.176 2.801 . 0 0 "[ . 1 . 2]" 1
669 1 23 ILE MG 1 27 ASP H . . 4.590 3.847 3.573 4.014 . 0 0 "[ . 1 . 2]" 1
670 1 28 HIS H 1 28 HIS HB2 . . 4.030 2.336 2.122 2.547 . 0 0 "[ . 1 . 2]" 1
671 1 27 ASP HB2 1 28 HIS H . . 4.390 3.853 2.757 3.996 . 0 0 "[ . 1 . 2]" 1
672 1 28 HIS H 1 28 HIS HB3 . . 4.030 2.810 2.572 3.445 . 0 0 "[ . 1 . 2]" 1
673 1 25 LEU MD1 1 28 HIS H . . 5.500 5.070 4.868 5.350 . 0 0 "[ . 1 . 2]" 1
674 1 25 LEU MD2 1 28 HIS H . . 5.500 5.247 4.998 5.392 . 0 0 "[ . 1 . 2]" 1
675 1 27 ASP H 1 29 GLY H . . 4.750 3.865 3.756 3.952 . 0 0 "[ . 1 . 2]" 1
676 1 28 HIS H 1 29 GLY H . . 3.270 2.577 2.396 2.637 . 0 0 "[ . 1 . 2]" 1
677 1 29 GLY H 1 30 ILE HB . . 5.090 4.705 4.575 4.844 . 0 0 "[ . 1 . 2]" 1
678 1 29 GLY H 1 30 ILE H . . 3.430 2.341 2.148 2.599 . 0 0 "[ . 1 . 2]" 1
679 1 28 HIS H 1 30 ILE H . . 4.520 4.015 3.827 4.377 . 0 0 "[ . 1 . 2]" 1
680 1 26 GLU HA 1 30 ILE H . . 4.380 3.306 2.947 3.612 . 0 0 "[ . 1 . 2]" 1
681 1 30 ILE H 1 30 ILE HB . . 3.180 2.631 2.512 2.687 . 0 0 "[ . 1 . 2]" 1
682 1 30 ILE H 1 30 ILE HG12 . . 4.000 3.575 2.334 3.954 . 0 0 "[ . 1 . 2]" 1
683 1 30 ILE H 1 30 ILE HG13 . . 4.000 2.623 2.412 3.867 . 0 0 "[ . 1 . 2]" 1
684 1 30 ILE HA 1 31 ASP H . . 2.810 2.241 2.194 2.294 . 0 0 "[ . 1 . 2]" 1
685 1 30 ILE HB 1 31 ASP H . . 4.950 3.837 3.645 4.042 . 0 0 "[ . 1 . 2]" 1
686 1 30 ILE MG 1 31 ASP H . . 3.460 2.202 2.061 2.346 . 0 0 "[ . 1 . 2]" 1
687 1 30 ILE MD 1 31 ASP H . . 5.100 4.733 3.375 4.999 . 0 0 "[ . 1 . 2]" 1
688 1 31 ASP H 1 32 TYR H . . 4.500 4.329 4.100 4.535 0.035 17 0 "[ . 1 . 2]" 1
689 1 32 TYR H 1 32 TYR HD1 . . 4.020 2.987 1.947 3.512 . 0 0 "[ . 1 . 2]" 1
690 1 31 ASP HA 1 32 TYR H . . 2.770 2.152 2.138 2.207 . 0 0 "[ . 1 . 2]" 1
691 1 30 ILE MG 1 32 TYR H . . 5.180 4.165 3.930 4.521 . 0 0 "[ . 1 . 2]" 1
692 1 32 TYR HB3 1 33 THR H . . 4.410 3.367 2.666 4.258 . 0 0 "[ . 1 . 2]" 1
693 1 33 THR HA 1 34 PHE H . . 3.110 2.159 2.141 2.209 . 0 0 "[ . 1 . 2]" 1
694 1 33 THR HB 1 34 PHE H . . 4.760 4.113 3.800 4.291 . 0 0 "[ . 1 . 2]" 1
695 1 34 PHE H 1 34 PHE HB2 . . 3.760 2.761 2.629 2.893 . 0 0 "[ . 1 . 2]" 1
696 1 34 PHE H 1 34 PHE HB3 . . 3.760 2.395 2.336 2.498 . 0 0 "[ . 1 . 2]" 1
697 1 33 THR MG 1 34 PHE H . . 3.750 2.811 2.207 3.158 . 0 0 "[ . 1 . 2]" 1
698 1 33 THR HB 1 35 HIS H . . 5.500 5.239 4.939 5.453 . 0 0 "[ . 1 . 2]" 1
699 1 34 PHE HA 1 35 HIS H . . 3.350 2.141 2.139 2.149 . 0 0 "[ . 1 . 2]" 1
700 1 34 PHE HD1 1 35 HIS H . . 4.280 2.720 2.319 3.091 . 0 0 "[ . 1 . 2]" 1
701 1 11 GLY H 1 35 HIS H . . 5.220 4.106 3.672 4.365 . 0 0 "[ . 1 . 2]" 1
702 1 36 ASP H 1 37 TYR H . . 4.900 4.546 4.444 4.606 . 0 0 "[ . 1 . 2]" 1
703 1 36 ASP H 1 40 GLU H . . 5.050 3.851 3.172 4.433 . 0 0 "[ . 1 . 2]" 1
704 1 36 ASP H 1 36 ASP HB3 . . 3.540 3.012 2.626 3.511 . 0 0 "[ . 1 . 2]" 1
705 1 36 ASP H 1 36 ASP HB2 . . 3.570 2.386 2.147 2.591 . 0 0 "[ . 1 . 2]" 1
706 1 37 TYR H 1 38 LYS H . . 3.990 2.703 2.509 2.800 . 0 0 "[ . 1 . 2]" 1
707 1 37 TYR H 1 37 TYR QD . . 4.710 2.481 1.870 3.337 . 0 0 "[ . 1 . 2]" 1
708 1 12 ILE HA 1 37 TYR H . . 4.750 3.051 2.653 3.444 . 0 0 "[ . 1 . 2]" 1
709 1 36 ASP HA 1 37 TYR H . . 3.140 2.208 2.149 2.288 . 0 0 "[ . 1 . 2]" 1
710 1 36 ASP HB2 1 37 TYR H . . 4.530 4.263 4.085 4.429 . 0 0 "[ . 1 . 2]" 1
711 1 38 LYS H 1 39 LYS H . . 3.720 2.490 2.325 2.706 . 0 0 "[ . 1 . 2]" 1
712 1 38 LYS H 1 38 LYS HB2 . . 4.140 2.464 2.147 2.893 . 0 0 "[ . 1 . 2]" 1
713 1 38 LYS H 1 38 LYS HB3 . . 4.140 2.818 2.386 3.581 . 0 0 "[ . 1 . 2]" 1
714 1 38 LYS H 1 91 PRO HG2 . . 5.500 5.506 5.453 5.549 0.049 7 0 "[ . 1 . 2]" 1
715 1 38 LYS H 1 39 LYS HB2 . . 4.690 4.532 4.201 4.678 . 0 0 "[ . 1 . 2]" 1
716 1 12 ILE MG 1 38 LYS H . . 4.710 4.037 2.722 4.748 0.038 19 0 "[ . 1 . 2]" 1
717 1 36 ASP HA 1 38 LYS H . . 5.270 4.022 3.837 4.348 . 0 0 "[ . 1 . 2]" 1
718 1 36 ASP HB3 1 39 LYS H . . 4.890 2.034 1.939 2.384 . 0 0 "[ . 1 . 2]" 1
719 1 39 LYS H 1 39 LYS HB2 . . 3.990 2.293 2.135 2.549 . 0 0 "[ . 1 . 2]" 1
720 1 39 LYS H 1 40 GLU H . . 3.440 2.816 2.727 2.844 . 0 0 "[ . 1 . 2]" 1
721 1 36 ASP HB3 1 40 GLU H . . 4.560 3.485 2.830 4.376 . 0 0 "[ . 1 . 2]" 1
722 1 39 LYS HB3 1 40 GLU H . . 3.470 2.679 2.433 3.459 . 0 0 "[ . 1 . 2]" 1
723 1 39 LYS HB2 1 40 GLU H . . 4.030 3.464 2.493 4.041 0.011 8 0 "[ . 1 . 2]" 1
724 1 40 GLU H 1 41 GLY H . . 3.410 2.481 2.195 2.832 . 0 0 "[ . 1 . 2]" 1
725 1 39 LYS HB3 1 41 GLY H . . 5.350 4.929 4.624 5.347 . 0 0 "[ . 1 . 2]" 1
726 1 41 GLY H 1 42 LEU H . . 4.600 3.590 3.266 4.415 . 0 0 "[ . 1 . 2]" 1
727 1 41 GLY HA2 1 42 LEU H . . 3.440 2.228 2.141 2.461 . 0 0 "[ . 1 . 2]" 1
728 1 42 LEU H 1 91 PRO HG3 . . 5.020 4.046 3.300 5.012 . 0 0 "[ . 1 . 2]" 1
729 1 42 LEU H 1 42 LEU HB2 . . 3.960 2.395 2.119 2.975 . 0 0 "[ . 1 . 2]" 1
730 1 42 LEU H 1 42 LEU HB3 . . 3.960 2.908 2.775 3.492 . 0 0 "[ . 1 . 2]" 1
731 1 42 LEU H 1 42 LEU MD1 . . 5.440 4.236 4.149 4.275 . 0 0 "[ . 1 . 2]" 1
732 1 42 LEU H 1 42 LEU MD2 . . 5.440 3.714 2.798 4.203 . 0 0 "[ . 1 . 2]" 1
733 1 42 LEU H 1 42 LEU HG . . 5.050 4.660 4.420 5.054 0.004 2 0 "[ . 1 . 2]" 1
734 1 42 LEU HA 1 43 ASP H . . 3.020 2.149 2.138 2.173 . 0 0 "[ . 1 . 2]" 1
735 1 43 ASP H 1 46 THR HB . . 4.010 3.103 2.391 3.918 . 0 0 "[ . 1 . 2]" 1
736 1 43 ASP H 1 43 ASP HB2 . . 4.110 2.833 2.324 3.662 . 0 0 "[ . 1 . 2]" 1
737 1 43 ASP H 1 43 ASP HB3 . . 4.110 3.222 2.851 3.873 . 0 0 "[ . 1 . 2]" 1
738 1 42 LEU HG 1 43 ASP H . . 5.170 4.822 4.515 5.142 . 0 0 "[ . 1 . 2]" 1
739 1 43 ASP HB2 1 44 ALA H . . 3.800 3.511 2.314 3.806 0.006 14 0 "[ . 1 . 2]" 1
740 1 43 ASP HB3 1 44 ALA H . . 3.800 2.876 2.216 3.525 . 0 0 "[ . 1 . 2]" 1
741 1 44 ALA H 1 88 LEU MD1 . . 5.020 3.380 2.482 4.696 . 0 0 "[ . 1 . 2]" 1
742 1 44 ALA H 1 88 LEU MD2 . . 5.020 3.912 2.733 5.022 0.002 4 0 "[ . 1 . 2]" 1
743 1 44 ALA H 1 45 GLU H . . 3.470 2.767 2.636 2.890 . 0 0 "[ . 1 . 2]" 1
744 1 45 GLU H 1 46 THR H . . 3.320 2.838 2.726 2.893 . 0 0 "[ . 1 . 2]" 1
745 1 43 ASP HB2 1 45 GLU H . . 4.770 3.834 2.698 4.726 . 0 0 "[ . 1 . 2]" 1
746 1 43 ASP HB3 1 45 GLU H . . 4.770 3.096 2.533 4.520 . 0 0 "[ . 1 . 2]" 1
747 1 45 GLU H 1 45 GLU HB2 . . 3.190 2.285 2.196 2.495 . 0 0 "[ . 1 . 2]" 1
748 1 45 GLU H 1 45 GLU HB3 . . 3.190 2.799 2.552 2.915 . 0 0 "[ . 1 . 2]" 1
749 1 44 ALA MB 1 45 GLU H . . 3.160 2.586 2.418 2.847 . 0 0 "[ . 1 . 2]" 1
750 1 45 GLU HB3 1 46 THR H . . 4.110 2.376 2.345 2.437 . 0 0 "[ . 1 . 2]" 1
751 1 45 GLU HB2 1 46 THR H . . 4.110 3.571 3.447 3.760 . 0 0 "[ . 1 . 2]" 1
752 1 45 GLU HG2 1 46 THR H . . 5.310 4.174 3.515 4.686 . 0 0 "[ . 1 . 2]" 1
753 1 45 GLU HG3 1 46 THR H . . 5.310 4.665 3.671 4.956 . 0 0 "[ . 1 . 2]" 1
754 1 46 THR H 1 46 THR HB . . 3.480 3.099 2.780 3.474 . 0 0 "[ . 1 . 2]" 1
755 1 45 GLU H 1 47 LEU H . . 5.010 4.314 4.145 4.411 . 0 0 "[ . 1 . 2]" 1
756 1 46 THR HB 1 47 LEU H . . 3.540 2.592 2.385 3.050 . 0 0 "[ . 1 . 2]" 1
757 1 47 LEU H 1 47 LEU HB2 . . 3.430 2.181 2.116 2.463 . 0 0 "[ . 1 . 2]" 1
758 1 44 ALA MB 1 47 LEU H . . 4.890 4.755 4.697 4.848 . 0 0 "[ . 1 . 2]" 1
759 1 47 LEU H 1 47 LEU HB3 . . 3.430 2.893 2.546 2.993 . 0 0 "[ . 1 . 2]" 1
760 1 47 LEU H 1 47 LEU HG . . 4.620 4.519 4.472 4.583 . 0 0 "[ . 1 . 2]" 1
761 1 46 THR MG 1 47 LEU H . . 4.260 3.905 3.642 4.114 . 0 0 "[ . 1 . 2]" 1
762 1 47 LEU H 1 48 ASP H . . 3.590 2.850 2.797 2.908 . 0 0 "[ . 1 . 2]" 1
763 1 48 ASP H 1 49 ARG H . . 3.560 2.776 2.666 2.901 . 0 0 "[ . 1 . 2]" 1
764 1 44 ALA HA 1 48 ASP H . . 4.340 3.752 3.423 4.068 . 0 0 "[ . 1 . 2]" 1
765 1 48 ASP H 1 48 ASP HB2 . . 3.620 2.352 2.234 2.628 . 0 0 "[ . 1 . 2]" 1
766 1 48 ASP H 1 48 ASP HB3 . . 3.620 2.732 2.437 2.871 . 0 0 "[ . 1 . 2]" 1
767 1 47 LEU HB2 1 48 ASP H . . 4.140 3.475 3.322 3.771 . 0 0 "[ . 1 . 2]" 1
768 1 47 LEU HB3 1 48 ASP H . . 4.140 2.394 2.245 2.547 . 0 0 "[ . 1 . 2]" 1
769 1 45 GLU HA 1 49 ARG H . . 4.940 4.046 3.830 4.193 . 0 0 "[ . 1 . 2]" 1
770 1 46 THR HA 1 49 ARG H . . 4.060 3.614 3.434 3.756 . 0 0 "[ . 1 . 2]" 1
771 1 48 ASP HB2 1 49 ARG H . . 4.320 3.656 3.473 3.826 . 0 0 "[ . 1 . 2]" 1
772 1 49 ARG H 1 49 ARG HB2 . . 3.620 2.291 2.109 2.416 . 0 0 "[ . 1 . 2]" 1
773 1 49 ARG H 1 49 ARG HB3 . . 3.620 3.332 2.639 3.579 . 0 0 "[ . 1 . 2]" 1
774 1 49 ARG H 1 50 PHE H . . 3.390 2.746 2.669 2.815 . 0 0 "[ . 1 . 2]" 1
775 1 50 PHE H 1 50 PHE HD2 . . 3.540 3.399 3.218 3.539 . 0 0 "[ . 1 . 2]" 1
776 1 50 PHE H 1 50 PHE HB3 . . 3.750 3.540 3.469 3.600 . 0 0 "[ . 1 . 2]" 1
777 1 47 LEU HA 1 50 PHE H . . 3.890 3.621 3.516 3.738 . 0 0 "[ . 1 . 2]" 1
778 1 50 PHE H 1 50 PHE HB2 . . 3.830 2.281 2.161 2.590 . 0 0 "[ . 1 . 2]" 1
779 1 49 ARG HB2 1 50 PHE H . . 3.870 3.034 2.619 3.871 0.001 2 0 "[ . 1 . 2]" 1
780 1 49 ARG HB3 1 50 PHE H . . 3.870 3.208 2.468 3.681 . 0 0 "[ . 1 . 2]" 1
781 1 47 LEU MD1 1 50 PHE H . . 5.500 4.504 4.260 4.910 . 0 0 "[ . 1 . 2]" 1
782 1 47 LEU MD2 1 50 PHE H . . 5.500 4.998 4.297 5.168 . 0 0 "[ . 1 . 2]" 1
783 1 51 LEU H 1 52 LYS H . . 3.870 2.606 2.513 2.743 . 0 0 "[ . 1 . 2]" 1
784 1 50 PHE HB3 1 51 LEU H . . 3.920 3.559 3.198 3.796 . 0 0 "[ . 1 . 2]" 1
785 1 50 PHE HB2 1 51 LEU H . . 4.190 2.859 2.493 3.067 . 0 0 "[ . 1 . 2]" 1
786 1 51 LEU H 1 51 LEU HB2 . . 3.630 2.213 2.108 2.273 . 0 0 "[ . 1 . 2]" 1
787 1 51 LEU H 1 51 LEU HB3 . . 3.630 2.863 2.800 3.008 . 0 0 "[ . 1 . 2]" 1
788 1 51 LEU H 1 51 LEU MD1 . . 4.480 4.252 4.218 4.276 . 0 0 "[ . 1 . 2]" 1
789 1 51 LEU H 1 51 LEU HG . . 4.690 4.547 4.483 4.573 . 0 0 "[ . 1 . 2]" 1
790 1 52 LYS H 1 52 LYS HB2 . . 3.960 2.291 2.098 2.502 . 0 0 "[ . 1 . 2]" 1
791 1 53 THR H 1 54 VAL H . . 2.960 2.376 2.185 2.568 . 0 0 "[ . 1 . 2]" 1
792 1 52 LYS H 1 53 THR H . . 3.420 2.584 2.352 2.722 . 0 0 "[ . 1 . 2]" 1
793 1 53 THR H 1 53 THR HB . . 3.600 2.824 2.490 3.596 . 0 0 "[ . 1 . 2]" 1
794 1 56 TRP H 1 57 GLU H . . 3.980 2.757 2.686 2.834 . 0 0 "[ . 1 . 2]" 1
795 1 55 PRO HA 1 56 TRP H . . 3.120 2.197 2.174 2.231 . 0 0 "[ . 1 . 2]" 1
796 1 55 PRO HB3 1 56 TRP H . . 4.100 3.819 3.732 3.893 . 0 0 "[ . 1 . 2]" 1
797 1 55 PRO HB2 1 56 TRP H . . 4.170 3.254 3.113 3.370 . 0 0 "[ . 1 . 2]" 1
798 1 57 GLU H 1 58 GLN H . . 3.280 2.714 2.521 2.781 . 0 0 "[ . 1 . 2]" 1
799 1 57 GLU H 1 59 LEU H . . 4.310 4.118 3.987 4.224 . 0 0 "[ . 1 . 2]" 1
800 1 55 PRO HA 1 57 GLU H . . 4.830 3.951 3.753 4.207 . 0 0 "[ . 1 . 2]" 1
801 1 55 PRO HB3 1 57 GLU H . . 4.520 4.167 4.002 4.405 . 0 0 "[ . 1 . 2]" 1
802 1 55 PRO HB2 1 57 GLU H . . 3.560 2.588 2.386 2.864 . 0 0 "[ . 1 . 2]" 1
803 1 57 GLU H 1 57 GLU HG3 . . 3.860 3.532 2.758 3.866 0.006 10 0 "[ . 1 . 2]" 1
804 1 58 GLN H 1 59 LEU H . . 3.110 2.489 2.353 2.599 . 0 0 "[ . 1 . 2]" 1
805 1 58 GLN H 1 58 GLN HB2 . . 3.820 2.562 2.472 2.693 . 0 0 "[ . 1 . 2]" 1
806 1 55 PRO HB2 1 58 GLN H . . 3.500 3.174 2.871 3.398 . 0 0 "[ . 1 . 2]" 1
807 1 57 GLU HG2 1 58 GLN H . . 4.920 2.452 1.961 3.367 . 0 0 "[ . 1 . 2]" 1
808 1 57 GLU HB2 1 58 GLN H . . 4.710 3.913 3.745 4.080 . 0 0 "[ . 1 . 2]" 1
809 1 57 GLU HB3 1 58 GLN H . . 4.710 3.994 3.894 4.148 . 0 0 "[ . 1 . 2]" 1
810 1 59 LEU H 1 60 LEU HB3 . . 4.900 4.327 3.990 4.614 . 0 0 "[ . 1 . 2]" 1
811 1 59 LEU H 1 59 LEU HB2 . . 3.570 2.812 2.397 3.019 . 0 0 "[ . 1 . 2]" 1
812 1 59 LEU H 1 59 LEU HB3 . . 3.460 2.822 2.700 3.129 . 0 0 "[ . 1 . 2]" 1
813 1 59 LEU H 1 59 LEU HG . . 5.190 4.602 4.330 4.690 . 0 0 "[ . 1 . 2]" 1
814 1 59 LEU H 1 60 LEU H . . 3.270 1.939 1.887 2.045 . 0 0 "[ . 1 . 2]" 1
815 1 58 GLN H 1 60 LEU H . . 4.440 4.287 4.073 4.447 0.007 1 0 "[ . 1 . 2]" 1
816 1 57 GLU HA 1 60 LEU H . . 4.800 4.675 4.473 4.804 0.004 14 0 "[ . 1 . 2]" 1
817 1 60 LEU H 1 60 LEU HB3 . . 3.210 2.978 2.598 3.171 . 0 0 "[ . 1 . 2]" 1
818 1 60 LEU H 1 60 LEU HG . . 4.120 2.619 2.142 2.800 . 0 0 "[ . 1 . 2]" 1
819 1 61 ASN H 1 95 LYS H . . 4.560 3.734 3.255 4.185 . 0 0 "[ . 1 . 2]" 1
820 1 60 LEU HA 1 61 ASN H . . 3.100 2.247 2.161 2.276 . 0 0 "[ . 1 . 2]" 1
821 1 61 ASN H 1 94 VAL HA . . 4.400 3.816 3.022 4.235 . 0 0 "[ . 1 . 2]" 1
822 1 61 ASN H 1 61 ASN HB2 . . 3.560 3.560 3.539 3.569 0.009 15 0 "[ . 1 . 2]" 1
823 1 61 ASN H 1 61 ASN HB3 . . 3.630 2.631 2.262 2.815 . 0 0 "[ . 1 . 2]" 1
824 1 60 LEU HB2 1 61 ASN H . . 4.320 2.915 2.759 3.248 . 0 0 "[ . 1 . 2]" 1
825 1 60 LEU MD1 1 61 ASN H . . 3.520 3.178 3.005 3.503 . 0 0 "[ . 1 . 2]" 1
826 1 62 ARG H 1 62 ARG HB2 . . 3.770 2.455 2.373 2.606 . 0 0 "[ . 1 . 2]" 1
827 1 62 ARG H 1 62 ARG HB3 . . 4.140 3.658 3.589 3.746 . 0 0 "[ . 1 . 2]" 1
828 1 62 ARG H 1 63 ALA MB . . 4.490 3.985 3.642 4.266 . 0 0 "[ . 1 . 2]" 1
829 1 63 ALA H 1 64 GLY H . . 3.240 2.599 2.064 2.884 . 0 0 "[ . 1 . 2]" 1
830 1 62 ARG HA 1 64 GLY H . . 4.790 4.001 3.480 4.547 . 0 0 "[ . 1 . 2]" 1
831 1 63 ALA MB 1 64 GLY H . . 3.790 3.398 2.934 3.632 . 0 0 "[ . 1 . 2]" 1
832 1 62 ARG H 1 63 ALA H . . 3.670 2.110 1.862 2.355 . 0 0 "[ . 1 . 2]" 1
833 1 60 LEU H 1 61 ASN H . . 5.110 4.406 4.203 4.549 . 0 0 "[ . 1 . 2]" 1
834 1 61 ASN H 1 62 ARG H . . 5.500 4.623 4.606 4.628 . 0 0 "[ . 1 . 2]" 1
835 1 66 THR H 1 67 PHE H . . 4.490 2.823 2.717 2.901 . 0 0 "[ . 1 . 2]" 1
836 1 67 PHE H 1 67 PHE QD . . 5.340 4.185 4.157 4.201 . 0 0 "[ . 1 . 2]" 1
837 1 66 THR HB 1 67 PHE H . . 3.620 3.050 2.457 3.633 0.013 20 0 "[ . 1 . 2]" 1
838 1 67 PHE H 1 67 PHE QB . . 3.580 2.267 2.250 2.283 . 0 0 "[ . 1 . 2]" 1
839 1 67 PHE H 1 68 ARG HG3 . . 5.170 5.123 4.801 5.182 0.012 10 0 "[ . 1 . 2]" 1
840 1 67 PHE H 1 68 ARG HB2 . . 4.860 4.403 4.316 4.515 . 0 0 "[ . 1 . 2]" 1
841 1 66 THR MG 1 67 PHE H . . 4.460 3.998 3.650 4.213 . 0 0 "[ . 1 . 2]" 1
842 1 67 PHE H 1 68 ARG H . . 3.630 2.494 2.427 2.587 . 0 0 "[ . 1 . 2]" 1
843 1 68 ARG H 1 69 LYS H . . 3.510 2.523 2.477 2.611 . 0 0 "[ . 1 . 2]" 1
844 1 67 PHE QB 1 68 ARG H . . 3.790 2.709 2.658 2.736 . 0 0 "[ . 1 . 2]" 1
845 1 68 ARG H 1 68 ARG HG3 . . 3.530 3.113 2.819 3.230 . 0 0 "[ . 1 . 2]" 1
846 1 68 ARG H 1 68 ARG HB2 . . 3.260 2.172 2.146 2.220 . 0 0 "[ . 1 . 2]" 1
847 1 66 THR HA 1 69 LYS H . . 5.100 3.713 3.599 3.837 . 0 0 "[ . 1 . 2]" 1
848 1 68 ARG HA 1 70 LEU H . . 4.630 3.862 3.326 4.474 . 0 0 "[ . 1 . 2]" 1
849 1 70 LEU H 1 70 LEU HB2 . . 3.340 2.311 2.197 2.544 . 0 0 "[ . 1 . 2]" 1
850 1 70 LEU H 1 70 LEU HB3 . . 3.710 3.558 3.501 3.666 . 0 0 "[ . 1 . 2]" 1
851 1 73 ASP H 1 75 ARG H . . 4.770 3.995 3.810 4.354 . 0 0 "[ . 1 . 2]" 1
852 1 72 GLU HB3 1 73 ASP H . . 4.140 3.686 2.461 4.105 . 0 0 "[ . 1 . 2]" 1
853 1 73 ASP H 1 74 VAL MG2 . . 4.930 4.334 4.221 4.513 . 0 0 "[ . 1 . 2]" 1
854 1 73 ASP H 1 74 VAL H . . 3.560 2.711 2.605 2.778 . 0 0 "[ . 1 . 2]" 1
855 1 74 VAL H 1 75 ARG H . . 3.150 2.634 2.417 2.870 . 0 0 "[ . 1 . 2]" 1
856 1 73 ASP HB3 1 74 VAL H . . 4.170 3.241 2.373 3.820 . 0 0 "[ . 1 . 2]" 1
857 1 74 VAL H 1 74 VAL HB . . 3.010 2.468 2.409 2.516 . 0 0 "[ . 1 . 2]" 1
858 1 74 VAL HB 1 75 ARG H . . 3.590 2.677 2.326 2.898 . 0 0 "[ . 1 . 2]" 1
859 1 75 ARG H 1 75 ARG HG2 . . 4.010 3.061 2.081 4.004 . 0 0 "[ . 1 . 2]" 1
860 1 74 VAL MG1 1 75 ARG H . . 3.970 3.413 3.079 3.530 . 0 0 "[ . 1 . 2]" 1
861 1 75 ARG H 1 75 ARG HG3 . . 4.010 3.343 2.633 3.876 . 0 0 "[ . 1 . 2]" 1
862 1 75 ARG H 1 76 SER H . . 3.430 2.556 2.357 2.793 . 0 0 "[ . 1 . 2]" 1
863 1 76 SER H 1 77 ASN H . . 3.340 2.302 2.055 2.665 . 0 0 "[ . 1 . 2]" 1
864 1 74 VAL H 1 76 SER H . . 4.520 3.957 3.840 4.121 . 0 0 "[ . 1 . 2]" 1
865 1 76 SER H 1 76 SER HB2 . . 3.480 2.787 2.154 3.459 . 0 0 "[ . 1 . 2]" 1
866 1 76 SER H 1 76 SER HB3 . . 3.480 2.586 2.143 3.487 0.007 7 0 "[ . 1 . 2]" 1
867 1 76 SER H 1 77 ASN HB2 . . 4.850 4.313 4.033 4.704 . 0 0 "[ . 1 . 2]" 1
868 1 75 ARG HG2 1 76 SER H . . 5.500 4.819 4.318 5.296 . 0 0 "[ . 1 . 2]" 1
869 1 74 VAL MG1 1 76 SER H . . 5.170 4.726 4.521 4.942 . 0 0 "[ . 1 . 2]" 1
870 1 75 ARG HG3 1 76 SER H . . 5.500 5.048 4.723 5.334 . 0 0 "[ . 1 . 2]" 1
871 1 76 SER HB2 1 77 ASN H . . 4.900 4.044 3.205 4.381 . 0 0 "[ . 1 . 2]" 1
872 1 76 SER HB3 1 77 ASN H . . 4.900 3.270 3.000 3.762 . 0 0 "[ . 1 . 2]" 1
873 1 75 ARG HA 1 77 ASN H . . 4.330 4.073 3.640 4.335 0.005 1 0 "[ . 1 . 2]" 1
874 1 77 ASN H 1 77 ASN HB2 . . 3.400 2.309 2.177 2.425 . 0 0 "[ . 1 . 2]" 1
875 1 74 VAL MG1 1 77 ASN H . . 4.940 4.319 3.984 4.649 . 0 0 "[ . 1 . 2]" 1
876 1 76 SER H 1 78 VAL H . . 4.940 4.326 4.090 4.607 . 0 0 "[ . 1 . 2]" 1
877 1 77 ASN HA 1 78 VAL H . . 3.460 2.950 2.768 3.388 . 0 0 "[ . 1 . 2]" 1
878 1 76 SER HA 1 78 VAL H . . 4.570 3.544 3.401 3.704 . 0 0 "[ . 1 . 2]" 1
879 1 77 ASN HB3 1 78 VAL H . . 4.570 4.315 3.801 4.429 . 0 0 "[ . 1 . 2]" 1
880 1 77 ASN HB2 1 78 VAL H . . 4.490 4.078 3.367 4.301 . 0 0 "[ . 1 . 2]" 1
881 1 78 VAL H 1 78 VAL HB . . 2.900 2.633 2.439 2.880 . 0 0 "[ . 1 . 2]" 1
882 1 79 ASP H 1 82 SER H . . 4.170 3.800 3.178 4.170 0.000 2 0 "[ . 1 . 2]" 1
883 1 78 VAL HA 1 79 ASP H . . 2.910 2.170 2.155 2.194 . 0 0 "[ . 1 . 2]" 1
884 1 79 ASP HB2 1 80 ALA H . . 3.450 2.867 2.129 3.266 . 0 0 "[ . 1 . 2]" 1
885 1 81 ALA H 1 83 ALA H . . 4.610 4.348 4.163 4.430 . 0 0 "[ . 1 . 2]" 1
886 1 81 ALA H 1 82 SER H . . 3.150 2.967 2.920 2.988 . 0 0 "[ . 1 . 2]" 1
887 1 80 ALA H 1 81 ALA H . . 3.650 2.880 2.751 2.977 . 0 0 "[ . 1 . 2]" 1
888 1 79 ASP HB2 1 81 ALA H . . 4.780 3.320 2.672 3.722 . 0 0 "[ . 1 . 2]" 1
889 1 79 ASP HB3 1 81 ALA H . . 4.780 3.885 3.521 4.681 . 0 0 "[ . 1 . 2]" 1
890 1 81 ALA H 1 81 ALA MB . . 2.650 2.160 2.032 2.234 . 0 0 "[ . 1 . 2]" 1
891 1 82 SER H 1 83 ALA H . . 3.110 2.862 2.784 2.886 . 0 0 "[ . 1 . 2]" 1
892 1 82 SER H 1 84 ARG H . . 4.690 4.400 4.283 4.539 . 0 0 "[ . 1 . 2]" 1
893 1 82 SER H 1 82 SER HB2 . . 3.680 2.946 2.769 3.235 . 0 0 "[ . 1 . 2]" 1
894 1 82 SER H 1 82 SER HB3 . . 3.680 3.039 2.152 3.566 . 0 0 "[ . 1 . 2]" 1
895 1 81 ALA MB 1 82 SER H . . 3.070 2.289 2.160 2.428 . 0 0 "[ . 1 . 2]" 1
896 1 82 SER H 1 83 ALA MB . . 4.500 4.433 4.362 4.484 . 0 0 "[ . 1 . 2]" 1
897 1 79 ASP H 1 83 ALA H . . 3.870 3.271 3.013 3.650 . 0 0 "[ . 1 . 2]" 1
898 1 83 ALA H 1 84 ARG H . . 3.390 2.879 2.702 2.946 . 0 0 "[ . 1 . 2]" 1
899 1 83 ALA H 1 85 GLU HB2 . . 5.500 5.233 5.067 5.474 . 0 0 "[ . 1 . 2]" 1
900 1 80 ALA MB 1 83 ALA H . . 5.370 4.769 4.612 4.857 . 0 0 "[ . 1 . 2]" 1
901 1 83 ALA H 1 83 ALA MB . . 2.930 2.183 2.034 2.236 . 0 0 "[ . 1 . 2]" 1
902 1 82 SER HA 1 84 ARG H . . 5.110 4.585 4.388 4.821 . 0 0 "[ . 1 . 2]" 1
903 1 84 ARG H 1 85 GLU HB2 . . 5.290 4.934 4.740 5.093 . 0 0 "[ . 1 . 2]" 1
904 1 84 ARG H 1 84 ARG HG3 . . 4.310 2.580 2.200 2.932 . 0 0 "[ . 1 . 2]" 1
905 1 83 ALA H 1 85 GLU H . . 5.150 4.227 4.090 4.423 . 0 0 "[ . 1 . 2]" 1
906 1 85 GLU H 1 86 LEU H . . 3.490 2.676 2.555 2.851 . 0 0 "[ . 1 . 2]" 1
907 1 85 GLU H 1 85 GLU HG3 . . 3.490 3.018 2.416 3.422 . 0 0 "[ . 1 . 2]" 1
908 1 85 GLU H 1 85 GLU HB2 . . 2.980 2.512 2.420 2.654 . 0 0 "[ . 1 . 2]" 1
909 1 84 ARG HB2 1 85 GLU H . . 4.030 2.691 2.456 2.878 . 0 0 "[ . 1 . 2]" 1
910 1 84 ARG HB3 1 85 GLU H . . 4.030 3.430 3.191 3.680 . 0 0 "[ . 1 . 2]" 1
911 1 81 ALA MB 1 85 GLU H . . 5.130 4.674 4.614 4.725 . 0 0 "[ . 1 . 2]" 1
912 1 86 LEU H 1 87 MET H . . 3.610 2.764 2.552 2.898 . 0 0 "[ . 1 . 2]" 1
913 1 87 MET H 1 87 MET HB2 . . 4.110 2.396 2.153 2.561 . 0 0 "[ . 1 . 2]" 1
914 1 87 MET H 1 87 MET HB3 . . 4.110 3.555 3.464 3.601 . 0 0 "[ . 1 . 2]" 1
915 1 86 LEU MD1 1 87 MET H . . 5.500 4.242 3.969 4.624 . 0 0 "[ . 1 . 2]" 1
916 1 87 MET H 1 88 LEU H . . 3.640 2.592 2.501 2.697 . 0 0 "[ . 1 . 2]" 1
917 1 88 LEU H 1 88 LEU HB2 . . 3.080 2.409 2.173 2.595 . 0 0 "[ . 1 . 2]" 1
918 1 88 LEU H 1 88 LEU HB3 . . 3.670 2.624 2.416 2.910 . 0 0 "[ . 1 . 2]" 1
919 1 47 LEU HG 1 88 LEU H . . 3.870 3.123 2.908 3.470 . 0 0 "[ . 1 . 2]" 1
920 1 88 LEU H 1 88 LEU HG . . 4.680 4.434 4.142 4.597 . 0 0 "[ . 1 . 2]" 1
921 1 88 LEU H 1 89 ALA H . . 3.310 2.760 2.548 2.895 . 0 0 "[ . 1 . 2]" 1
922 1 86 LEU HA 1 89 ALA H . . 4.030 3.796 3.594 4.027 . 0 0 "[ . 1 . 2]" 1
923 1 85 GLU HA 1 89 ALA H . . 4.190 3.944 3.671 4.154 . 0 0 "[ . 1 . 2]" 1
924 1 88 LEU HB2 1 89 ALA H . . 3.880 3.630 3.365 3.819 . 0 0 "[ . 1 . 2]" 1
925 1 47 LEU HG 1 89 ALA H . . 5.320 5.259 5.023 5.337 0.017 8 0 "[ . 1 . 2]" 1
926 1 88 LEU H 1 90 GLN H . . 4.700 4.040 3.687 4.206 . 0 0 "[ . 1 . 2]" 1
927 1 89 ALA H 1 90 GLN H . . 3.180 2.581 2.390 2.711 . 0 0 "[ . 1 . 2]" 1
928 1 86 LEU HA 1 90 GLN H . . 4.570 3.713 3.447 4.023 . 0 0 "[ . 1 . 2]" 1
929 1 87 MET HA 1 90 GLN H . . 3.840 3.682 3.336 3.842 0.002 15 0 "[ . 1 . 2]" 1
930 1 90 GLN H 1 91 PRO HD3 . . 4.460 3.357 3.161 3.487 . 0 0 "[ . 1 . 2]" 1
931 1 90 GLN H 1 90 GLN HG2 . . 4.770 2.750 2.015 4.403 . 0 0 "[ . 1 . 2]" 1
932 1 90 GLN H 1 90 GLN HG3 . . 4.770 2.908 2.049 3.949 . 0 0 "[ . 1 . 2]" 1
933 1 90 GLN H 1 90 GLN HB2 . . 4.090 3.410 2.541 3.787 . 0 0 "[ . 1 . 2]" 1
934 1 90 GLN H 1 90 GLN HB3 . . 4.090 3.421 3.229 3.859 . 0 0 "[ . 1 . 2]" 1
935 1 92 SER H 1 93 MET H . . 3.510 2.645 2.606 2.677 . 0 0 "[ . 1 . 2]" 1
936 1 91 PRO HG2 1 92 SER H . . 4.430 3.042 2.858 3.133 . 0 0 "[ . 1 . 2]" 1
937 1 12 ILE MG 1 92 SER H . . 4.980 4.457 3.811 4.981 0.001 6 0 "[ . 1 . 2]" 1
938 1 92 SER HB2 1 93 MET H . . 5.260 3.998 3.114 4.432 . 0 0 "[ . 1 . 2]" 1
939 1 92 SER HB3 1 93 MET H . . 5.260 3.832 3.099 4.313 . 0 0 "[ . 1 . 2]" 1
940 1 93 MET H 1 93 MET HB2 . . 3.780 2.374 2.112 3.657 . 0 0 "[ . 1 . 2]" 1
941 1 93 MET H 1 93 MET HB3 . . 3.780 3.286 2.321 3.599 . 0 0 "[ . 1 . 2]" 1
942 1 93 MET H 1 94 VAL H . . 3.430 2.382 2.262 2.411 . 0 0 "[ . 1 . 2]" 1
943 1 92 SER HA 1 94 VAL H . . 5.140 3.806 3.621 3.910 . 0 0 "[ . 1 . 2]" 1
944 1 94 VAL H 1 94 VAL HB . . 3.670 2.791 2.559 3.611 . 0 0 "[ . 1 . 2]" 1
945 1 94 VAL H 1 94 VAL MG1 . . 4.010 3.432 2.077 3.767 . 0 0 "[ . 1 . 2]" 1
946 1 94 VAL H 1 94 VAL MG2 . . 4.010 2.076 1.925 2.311 . 0 0 "[ . 1 . 2]" 1
947 1 59 LEU HG 1 95 LYS H . . 4.930 4.044 3.633 4.936 0.006 1 0 "[ . 1 . 2]" 1
948 1 95 LYS H 1 96 ARG H . . 4.920 4.627 4.504 4.649 . 0 0 "[ . 1 . 2]" 1
949 1 95 LYS HA 1 96 ARG H . . 2.940 2.384 2.143 2.519 . 0 0 "[ . 1 . 2]" 1
950 1 10 TYR H 1 98 VAL H . . 4.000 3.118 2.900 3.453 . 0 0 "[ . 1 . 2]" 1
951 1 97 PRO HB3 1 98 VAL H . . 4.150 3.610 3.346 3.843 . 0 0 "[ . 1 . 2]" 1
952 1 97 PRO HB2 1 98 VAL H . . 3.990 2.896 2.395 3.294 . 0 0 "[ . 1 . 2]" 1
953 1 98 VAL H 1 98 VAL HB . . 3.710 2.617 2.497 2.719 . 0 0 "[ . 1 . 2]" 1
954 1 98 VAL H 1 98 VAL MG1 . . 3.910 3.839 3.786 3.882 . 0 0 "[ . 1 . 2]" 1
955 1 98 VAL H 1 98 VAL MG2 . . 4.780 2.833 2.617 2.971 . 0 0 "[ . 1 . 2]" 1
956 1 98 VAL HA 1 99 LEU H . . 3.240 2.171 2.141 2.226 . 0 0 "[ . 1 . 2]" 1
957 1 99 LEU H 1 99 LEU HB2 . . 3.930 2.408 2.327 2.780 . 0 0 "[ . 1 . 2]" 1
958 1 99 LEU H 1 99 LEU HB3 . . 3.930 3.459 2.776 3.631 . 0 0 "[ . 1 . 2]" 1
959 1 98 VAL MG1 1 99 LEU H . . 4.010 2.428 2.207 2.699 . 0 0 "[ . 1 . 2]" 1
960 1 8 THR H 1 100 GLU H . . 3.860 3.622 3.357 3.794 . 0 0 "[ . 1 . 2]" 1
961 1 99 LEU HA 1 100 GLU H . . 3.110 2.153 2.140 2.227 . 0 0 "[ . 1 . 2]" 1
962 1 100 GLU H 1 100 GLU HB2 . . 4.200 2.689 2.516 2.899 . 0 0 "[ . 1 . 2]" 1
963 1 100 GLU H 1 100 GLU HB3 . . 4.200 2.806 2.601 2.915 . 0 0 "[ . 1 . 2]" 1
964 1 99 LEU MD1 1 100 GLU H . . 5.370 4.470 4.184 4.771 . 0 0 "[ . 1 . 2]" 1
965 1 99 LEU MD2 1 100 GLU H . . 5.370 4.472 2.309 5.034 . 0 0 "[ . 1 . 2]" 1
966 1 101 ARG H 1 104 LYS H . . 4.180 3.444 2.455 4.145 . 0 0 "[ . 1 . 2]" 1
967 1 113 GLN H 1 114 TYR H . . 3.540 2.632 2.600 2.668 . 0 0 "[ . 1 . 2]" 1
968 1 100 GLU HA 1 101 ARG H . . 3.210 2.170 2.138 2.235 . 0 0 "[ . 1 . 2]" 1
969 1 113 GLN HB2 1 114 TYR H . . 3.940 2.414 2.384 2.445 . 0 0 "[ . 1 . 2]" 1
970 1 114 TYR H 1 114 TYR HB3 . . 3.760 2.951 2.946 2.964 . 0 0 "[ . 1 . 2]" 1
971 1 113 GLN HB3 1 114 TYR H . . 3.940 3.604 3.506 3.665 . 0 0 "[ . 1 . 2]" 1
972 1 114 TYR H 1 115 GLU H . . 3.590 2.782 2.762 2.823 . 0 0 "[ . 1 . 2]" 1
973 1 113 GLN H 1 115 GLU H . . 4.950 4.085 4.054 4.210 . 0 0 "[ . 1 . 2]" 1
974 1 115 GLU H 1 115 GLU HG2 . . 3.690 2.338 2.221 2.453 . 0 0 "[ . 1 . 2]" 1
975 1 115 GLU H 1 115 GLU HB2 . . 3.390 2.563 2.521 2.609 . 0 0 "[ . 1 . 2]" 1
976 1 115 GLU H 1 115 GLU HB3 . . 3.670 3.600 3.591 3.601 . 0 0 "[ . 1 . 2]" 1
977 1 114 TYR HB3 1 115 GLU H . . 4.220 2.610 2.463 2.675 . 0 0 "[ . 1 . 2]" 1
978 1 115 GLU H 1 116 ALA MB . . 5.140 4.267 4.191 4.339 . 0 0 "[ . 1 . 2]" 1
979 1 112 ALA MB 1 115 GLU H . . 5.210 4.833 4.784 4.900 . 0 0 "[ . 1 . 2]" 1
980 1 114 TYR HB2 1 115 GLU H . . 4.450 3.546 3.470 3.592 . 0 0 "[ . 1 . 2]" 1
981 1 115 GLU H 1 116 ALA H . . 3.720 2.656 2.616 2.704 . 0 0 "[ . 1 . 2]" 1
982 1 115 GLU HB2 1 116 ALA H . . 3.670 2.392 2.370 2.460 . 0 0 "[ . 1 . 2]" 1
983 1 115 GLU HB3 1 116 ALA H . . 3.670 3.564 3.518 3.649 . 0 0 "[ . 1 . 2]" 1
984 1 116 ALA H 1 117 TYR H . . 3.550 2.688 2.645 2.797 . 0 0 "[ . 1 . 2]" 1
985 1 117 TYR H 1 118 PHE H . . 3.580 2.486 2.382 2.661 . 0 0 "[ . 1 . 2]" 1
986 1 117 TYR H 1 117 TYR HD1 . . 5.250 4.690 3.424 5.017 . 0 0 "[ . 1 . 2]" 1
987 1 117 TYR H 1 117 TYR HD2 . . 5.500 4.609 3.612 5.219 . 0 0 "[ . 1 . 2]" 1
988 1 117 TYR H 1 117 TYR HB2 . . 3.430 2.548 2.074 2.813 . 0 0 "[ . 1 . 2]" 1
989 1 117 TYR H 1 117 TYR HB3 . . 3.430 2.653 2.371 3.324 . 0 0 "[ . 1 . 2]" 1
990 1 118 PHE H 1 119 LYS H . . 3.310 2.714 2.621 2.850 . 0 0 "[ . 1 . 2]" 1
991 1 116 ALA HA 1 118 PHE H . . 5.440 4.670 4.245 5.147 . 0 0 "[ . 1 . 2]" 1
992 1 118 PHE H 1 119 LYS HA . . 5.500 5.136 4.623 5.340 . 0 0 "[ . 1 . 2]" 1
993 1 118 PHE H 1 118 PHE HB2 . . 3.940 2.396 2.146 2.646 . 0 0 "[ . 1 . 2]" 1
994 1 118 PHE H 1 118 PHE HB3 . . 3.940 2.786 2.422 3.519 . 0 0 "[ . 1 . 2]" 1
995 1 116 ALA MB 1 118 PHE H . . 5.310 4.705 4.287 5.032 . 0 0 "[ . 1 . 2]" 1
996 1 119 LYS H 1 119 LYS HB2 . . 4.170 2.644 2.155 3.601 . 0 0 "[ . 1 . 2]" 1
997 1 119 LYS H 1 119 LYS HG2 . . 5.180 4.138 2.128 4.673 . 0 0 "[ . 1 . 2]" 1
998 1 119 LYS H 1 119 LYS HG3 . . 5.180 4.258 2.870 4.627 . 0 0 "[ . 1 . 2]" 1
999 1 119 LYS HA 1 120 LEU H . . 2.870 2.267 2.145 2.535 . 0 0 "[ . 1 . 2]" 1
1000 1 120 LEU H 1 120 LEU HB2 . . 3.560 2.663 2.143 3.557 . 0 0 "[ . 1 . 2]" 1
1001 1 120 LEU H 1 120 LEU HB3 . . 3.560 2.970 2.265 3.560 0.000 8 0 "[ . 1 . 2]" 1
1002 1 119 LYS HG2 1 120 LEU H . . 5.500 3.362 2.041 4.589 . 0 0 "[ . 1 . 2]" 1
1003 1 119 LYS HG3 1 120 LEU H . . 5.500 3.274 2.045 4.887 . 0 0 "[ . 1 . 2]" 1
1004 1 102 ASP H 1 103 GLY H . . 4.130 2.718 2.653 2.833 . 0 0 "[ . 1 . 2]" 1
1005 1 103 GLY H 1 104 LYS H . . 3.850 2.918 2.442 3.245 . 0 0 "[ . 1 . 2]" 1
1006 1 102 ASP HA 1 103 GLY H . . 3.540 2.910 2.682 2.976 . 0 0 "[ . 1 . 2]" 1
1007 1 102 ASP HB2 1 103 GLY H . . 5.110 4.376 4.037 4.619 . 0 0 "[ . 1 . 2]" 1
1008 1 102 ASP HB3 1 103 GLY H . . 5.110 4.237 4.042 4.560 . 0 0 "[ . 1 . 2]" 1
1009 1 104 LYS HA 1 105 LEU H . . 3.010 2.166 2.144 2.204 . 0 0 "[ . 1 . 2]" 1
1010 1 105 LEU H 1 105 LEU HB2 . . 3.890 2.519 2.231 3.025 . 0 0 "[ . 1 . 2]" 1
1011 1 105 LEU H 1 105 LEU HB3 . . 3.890 2.831 2.380 3.451 . 0 0 "[ . 1 . 2]" 1
1012 1 105 LEU HA 1 106 MET H . . 3.050 2.216 2.141 2.313 . 0 0 "[ . 1 . 2]" 1
1013 1 105 LEU HG 1 106 MET H . . 3.640 2.652 2.143 3.467 . 0 0 "[ . 1 . 2]" 1
1014 1 98 VAL MG1 1 106 MET H . . 4.260 3.063 2.674 3.323 . 0 0 "[ . 1 . 2]" 1
1015 1 99 LEU MD1 1 106 MET H . . 5.500 4.926 4.478 5.503 0.003 4 0 "[ . 1 . 2]" 1
1016 1 99 LEU MD2 1 106 MET H . . 5.500 5.131 4.092 5.506 0.006 17 0 "[ . 1 . 2]" 1
1017 1 98 VAL MG2 1 106 MET H . . 5.300 5.169 4.829 5.306 0.006 17 0 "[ . 1 . 2]" 1
1018 1 106 MET HA 1 107 VAL H . . 3.100 2.242 2.201 2.339 . 0 0 "[ . 1 . 2]" 1
1019 1 107 VAL H 1 107 VAL HB . . 3.740 3.028 2.505 3.678 . 0 0 "[ . 1 . 2]" 1
1020 1 107 VAL HA 1 108 GLY H . . 3.180 2.204 2.151 2.245 . 0 0 "[ . 1 . 2]" 1
1021 1 97 PRO HD3 1 108 GLY H . . 5.480 5.137 4.706 5.461 . 0 0 "[ . 1 . 2]" 1
1022 1 97 PRO HD2 1 108 GLY H . . 4.180 3.644 3.176 4.005 . 0 0 "[ . 1 . 2]" 1
1023 1 97 PRO HG2 1 108 GLY H . . 5.020 3.611 3.240 3.868 . 0 0 "[ . 1 . 2]" 1
1024 1 107 VAL HB 1 108 GLY H . . 5.330 3.579 2.829 4.169 . 0 0 "[ . 1 . 2]" 1
1025 1 97 PRO HG3 1 108 GLY H . . 5.500 5.246 4.842 5.500 . 0 0 "[ . 1 . 2]" 1
1026 1 107 VAL MG1 1 108 GLY H . . 4.540 3.011 2.112 3.993 . 0 0 "[ . 1 . 2]" 1
1027 1 112 ALA H 1 113 GLN H . . 4.000 2.711 2.678 2.749 . 0 0 "[ . 1 . 2]" 1
1028 1 111 PRO HD2 1 112 ALA H . . 4.810 2.742 2.740 2.745 . 0 0 "[ . 1 . 2]" 1
1029 1 110 LYS HB3 1 112 ALA H . . 4.630 2.907 2.889 2.942 . 0 0 "[ . 1 . 2]" 1
1030 1 112 ALA H 1 112 ALA MB . . 3.150 2.150 2.045 2.176 . 0 0 "[ . 1 . 2]" 1
1031 1 113 GLN H 1 113 GLN HG3 . . 4.050 3.594 3.490 3.749 . 0 0 "[ . 1 . 2]" 1
1032 1 110 LYS HB3 1 113 GLN H . . 4.110 2.772 2.654 2.921 . 0 0 "[ . 1 . 2]" 1
1033 1 112 ALA MB 1 113 GLN H . . 3.540 2.609 2.538 2.734 . 0 0 "[ . 1 . 2]" 1
1034 1 73 ASP HA 1 77 ASN HD21 . . 5.080 4.086 3.186 4.805 . 0 0 "[ . 1 . 2]" 1
1035 1 77 ASN HB2 1 77 ASN HD22 . . 3.810 3.545 3.433 3.667 . 0 0 "[ . 1 . 2]" 1
1036 1 73 ASP HA 1 77 ASN HD22 . . 5.080 4.308 3.728 5.073 . 0 0 "[ . 1 . 2]" 1
1037 1 61 ASN HD21 1 66 THR HB . . 5.060 3.833 3.153 5.045 . 0 0 "[ . 1 . 2]" 1
1038 1 56 TRP HE1 1 80 ALA H . . 4.520 4.294 3.839 4.515 . 0 0 "[ . 1 . 2]" 1
1039 1 56 TRP HE1 1 79 ASP HA . . 5.500 5.136 4.550 5.498 . 0 0 "[ . 1 . 2]" 1
1040 1 56 TRP HE1 1 80 ALA HA . . 4.050 3.018 1.981 4.054 0.004 1 0 "[ . 1 . 2]" 1
1041 1 24 TRP HE1 1 111 PRO HA . . 4.210 3.679 3.299 4.040 . 0 0 "[ . 1 . 2]" 1
1042 1 24 TRP HE1 1 111 PRO HB2 . . 4.300 3.901 3.619 4.031 . 0 0 "[ . 1 . 2]" 1
1043 1 24 TRP HE1 1 111 PRO HB3 . . 4.300 4.164 3.787 4.303 0.003 12 0 "[ . 1 . 2]" 1
1044 1 119 LYS HE2 1 120 LEU H . . 5.500 4.785 3.812 5.486 . 0 0 "[ . 1 . 2]" 1
1045 1 119 LYS HE3 1 120 LEU H . . 5.500 4.849 3.659 5.499 . 0 0 "[ . 1 . 2]" 1
1046 1 43 ASP HA 1 44 ALA H . . 3.050 2.490 2.305 2.584 . 0 0 "[ . 1 . 2]" 1
1047 1 7 VAL HA 1 8 THR H . . 3.120 2.228 2.143 2.525 . 0 0 "[ . 1 . 2]" 1
1048 1 5 MET H 1 5 MET QG . . 4.710 3.177 2.194 4.103 . 0 0 "[ . 1 . 2]" 1
1049 1 6 SER H 1 6 SER QB . . 3.220 2.654 2.223 3.138 . 0 0 "[ . 1 . 2]" 1
1050 1 7 VAL H 1 7 VAL QG . . 3.550 2.432 1.927 2.802 . 0 0 "[ . 1 . 2]" 1
1051 1 7 VAL QG 1 8 THR H . . 3.580 2.236 1.971 3.043 . 0 0 "[ . 1 . 2]" 1
1052 1 7 VAL QG 1 32 TYR HA . . 4.570 3.269 1.949 4.226 . 0 0 "[ . 1 . 2]" 1
1053 1 7 VAL QG 1 32 TYR QB . . 3.980 3.420 1.885 3.986 0.006 20 0 "[ . 1 . 2]" 1
1054 1 7 VAL QG 1 33 THR H . . 4.890 3.858 2.871 4.292 . 0 0 "[ . 1 . 2]" 1
1055 1 7 VAL QG 1 99 LEU HG . . 3.590 2.955 2.116 3.588 . 0 0 "[ . 1 . 2]" 1
1056 1 7 VAL QG 1 99 LEU QD . . 3.370 2.630 1.761 3.147 . 0 0 "[ . 1 . 2]" 1
1057 1 7 VAL QG 1 100 GLU H . . 4.530 3.554 2.994 4.530 . 0 0 "[ . 1 . 2]" 1
1058 1 8 THR H 1 100 GLU QB . . 4.760 3.790 3.479 4.099 . 0 0 "[ . 1 . 2]" 1
1059 1 8 THR HB 1 100 GLU QB . . 4.260 2.729 2.261 3.186 . 0 0 "[ . 1 . 2]" 1
1060 1 8 THR MG 1 35 HIS QB . . 3.530 2.620 2.070 2.995 . 0 0 "[ . 1 . 2]" 1
1061 1 8 THR MG 1 100 GLU QB . . 4.560 3.653 3.219 4.356 . 0 0 "[ . 1 . 2]" 1
1062 1 9 ILE H 1 9 ILE QG . . 4.280 4.007 3.982 4.026 . 0 0 "[ . 1 . 2]" 1
1063 1 9 ILE HB 1 99 LEU QD . . 4.000 3.242 2.686 4.007 0.007 8 0 "[ . 1 . 2]" 1
1064 1 9 ILE MG 1 32 TYR QB . . 3.940 2.457 1.973 3.177 . 0 0 "[ . 1 . 2]" 1
1065 1 9 ILE MG 1 34 PHE QB . . 4.180 3.354 3.262 3.654 . 0 0 "[ . 1 . 2]" 1
1066 1 9 ILE MG 1 35 HIS QB . . 4.430 3.980 3.577 4.352 . 0 0 "[ . 1 . 2]" 1
1067 1 9 ILE QG 1 10 TYR H . . 4.630 2.383 2.240 2.418 . 0 0 "[ . 1 . 2]" 1
1068 1 9 ILE QG 1 18 MET ME . . 3.170 2.609 1.956 3.079 . 0 0 "[ . 1 . 2]" 1
1069 1 9 ILE QG 1 97 PRO HB2 . . 4.250 2.857 2.607 3.075 . 0 0 "[ . 1 . 2]" 1
1070 1 9 ILE QG 1 97 PRO HB3 . . 4.170 3.642 3.366 3.832 . 0 0 "[ . 1 . 2]" 1
1071 1 9 ILE MD 1 22 ARG QD . . 5.340 4.104 2.941 5.097 . 0 0 "[ . 1 . 2]" 1
1072 1 10 TYR HA 1 35 HIS QB . . 4.610 2.562 2.206 2.991 . 0 0 "[ . 1 . 2]" 1
1073 1 10 TYR QB 1 98 VAL H . . 4.310 3.758 2.939 4.309 . 0 0 "[ . 1 . 2]" 1
1074 1 10 TYR QB 1 98 VAL MG1 . . 4.020 2.875 2.432 3.276 . 0 0 "[ . 1 . 2]" 1
1075 1 11 GLY H 1 35 HIS QB . . 4.740 3.947 3.711 4.130 . 0 0 "[ . 1 . 2]" 1
1076 1 12 ILE H 1 12 ILE QG . . 3.610 2.304 2.100 2.523 . 0 0 "[ . 1 . 2]" 1
1077 1 12 ILE H 1 15 CYS QB . . 4.880 3.934 3.161 4.890 0.010 2 0 "[ . 1 . 2]" 1
1078 1 12 ILE H 1 18 MET QG . . 3.870 2.394 1.956 2.956 . 0 0 "[ . 1 . 2]" 1
1079 1 12 ILE MG 1 37 TYR QB . . 3.560 2.377 1.939 3.040 . 0 0 "[ . 1 . 2]" 1
1080 1 12 ILE MG 1 92 SER QB . . 4.400 2.948 1.966 3.777 . 0 0 "[ . 1 . 2]" 1
1081 1 12 ILE QG 1 13 LYS H . . 5.180 3.278 3.038 3.826 . 0 0 "[ . 1 . 2]" 1
1082 1 12 ILE QG 1 15 CYS H . . 4.160 3.605 2.878 4.163 0.003 7 0 "[ . 1 . 2]" 1
1083 1 12 ILE QG 1 15 CYS QB . . 3.920 2.278 1.903 3.232 . 0 0 "[ . 1 . 2]" 1
1084 1 12 ILE MD 1 14 ASN QB . . 5.150 3.018 1.971 4.914 . 0 0 "[ . 1 . 2]" 1
1085 1 12 ILE MD 1 92 SER QB . . 4.410 3.056 2.164 4.303 . 0 0 "[ . 1 . 2]" 1
1086 1 13 LYS QB 1 15 CYS H . . 5.340 4.978 4.282 5.297 . 0 0 "[ . 1 . 2]" 1
1087 1 15 CYS H 1 15 CYS QB . . 3.270 2.818 2.510 3.184 . 0 0 "[ . 1 . 2]" 1
1088 1 15 CYS QB 1 17 THR H . . 4.780 3.704 2.623 4.312 . 0 0 "[ . 1 . 2]" 1
1089 1 15 CYS QB 1 18 MET H . . 3.650 3.154 2.733 3.587 . 0 0 "[ . 1 . 2]" 1
1090 1 15 CYS QB 1 18 MET QG . . 4.080 2.867 2.034 3.992 . 0 0 "[ . 1 . 2]" 1
1091 1 15 CYS QB 1 19 LYS H . . 5.270 4.764 3.747 5.276 0.006 9 0 "[ . 1 . 2]" 1
1092 1 16 ASP QB 1 17 THR H . . 3.660 3.173 2.487 3.498 . 0 0 "[ . 1 . 2]" 1
1093 1 16 ASP QB 1 19 LYS QB . . 4.280 3.877 3.555 4.188 . 0 0 "[ . 1 . 2]" 1
1094 1 16 ASP QB 1 20 LYS QG . . 4.360 4.033 3.476 4.363 0.003 15 0 "[ . 1 . 2]" 1
1095 1 17 THR H 1 20 LYS QG . . 5.120 4.831 4.349 5.115 . 0 0 "[ . 1 . 2]" 1
1096 1 17 THR HA 1 20 LYS QG . . 3.510 2.924 2.111 3.385 . 0 0 "[ . 1 . 2]" 1
1097 1 18 MET H 1 18 MET QG . . 3.730 2.520 1.989 3.704 . 0 0 "[ . 1 . 2]" 1
1098 1 18 MET H 1 19 LYS QB . . 4.750 4.477 4.286 4.577 . 0 0 "[ . 1 . 2]" 1
1099 1 18 MET ME 1 18 MET QG . . 3.210 2.280 1.976 2.458 . 0 0 "[ . 1 . 2]" 1
1100 1 18 MET QG 1 96 ARG QB . . 4.450 3.625 2.931 4.193 . 0 0 "[ . 1 . 2]" 1
1101 1 18 MET ME 1 22 ARG QD . . 3.720 3.236 2.483 3.720 0.000 1 0 "[ . 1 . 2]" 1
1102 1 19 LYS H 1 19 LYS QB . . 3.410 2.165 2.062 2.242 . 0 0 "[ . 1 . 2]" 1
1103 1 19 LYS H 1 20 LYS QG . . 4.460 4.237 3.719 4.461 0.001 19 0 "[ . 1 . 2]" 1
1104 1 19 LYS HA 1 22 ARG QB . . 3.800 2.973 2.762 3.865 0.065 1 0 "[ . 1 . 2]" 1
1105 1 19 LYS QB 1 20 LYS H . . 3.790 2.344 2.305 2.547 . 0 0 "[ . 1 . 2]" 1
1106 1 20 LYS H 1 20 LYS QG . . 3.290 2.070 1.919 2.225 . 0 0 "[ . 1 . 2]" 1
1107 1 20 LYS QG 1 21 ALA H . . 4.140 3.695 2.059 4.125 . 0 0 "[ . 1 . 2]" 1
1108 1 21 ALA HA 1 24 TRP QB . . 3.670 2.843 2.699 3.023 . 0 0 "[ . 1 . 2]" 1
1109 1 21 ALA MB 1 22 ARG QG . . 4.260 3.348 3.056 4.269 0.009 13 0 "[ . 1 . 2]" 1
1110 1 22 ARG H 1 22 ARG QB . . 3.210 2.324 2.179 2.544 . 0 0 "[ . 1 . 2]" 1
1111 1 22 ARG H 1 22 ARG QG . . 3.360 2.506 1.986 3.498 0.138 13 0 "[ . 1 . 2]" 1
1112 1 22 ARG H 1 22 ARG QD . . 4.330 3.783 2.016 4.325 . 0 0 "[ . 1 . 2]" 1
1113 1 22 ARG HA 1 22 ARG QG . . 3.610 2.491 2.285 3.341 . 0 0 "[ . 1 . 2]" 1
1114 1 22 ARG QD 1 34 PHE HD1 . . 5.340 3.767 2.873 5.032 . 0 0 "[ . 1 . 2]" 1
1115 1 23 ILE HA 1 23 ILE QG . . 3.560 2.443 2.388 2.457 . 0 0 "[ . 1 . 2]" 1
1116 1 23 ILE HA 1 26 GLU QB . . 3.840 3.024 2.433 3.842 0.002 12 0 "[ . 1 . 2]" 1
1117 1 23 ILE MG 1 27 ASP QB . . 4.450 2.923 2.702 3.518 . 0 0 "[ . 1 . 2]" 1
1118 1 24 TRP HA 1 27 ASP QB . . 3.390 2.611 2.279 2.841 . 0 0 "[ . 1 . 2]" 1
1119 1 24 TRP QB 1 24 TRP HD1 . . 3.420 2.563 2.533 2.616 . 0 0 "[ . 1 . 2]" 1
1120 1 24 TRP QB 1 25 LEU H . . 3.770 2.324 2.220 2.704 . 0 0 "[ . 1 . 2]" 1
1121 1 24 TRP HE1 1 111 PRO QB . . 3.690 3.579 3.293 3.692 0.002 5 0 "[ . 1 . 2]" 1
1122 1 24 TRP HH2 1 118 PHE QB . . 4.110 3.482 3.149 3.804 . 0 0 "[ . 1 . 2]" 1
1123 1 25 LEU MD1 1 28 HIS QB . . 3.850 3.691 3.360 3.855 0.005 6 0 "[ . 1 . 2]" 1
1124 1 25 LEU MD2 1 28 HIS QB . . 5.310 4.425 4.046 4.793 . 0 0 "[ . 1 . 2]" 1
1125 1 26 GLU H 1 26 GLU QB . . 3.120 2.323 2.140 2.482 . 0 0 "[ . 1 . 2]" 1
1126 1 26 GLU H 1 26 GLU QG . . 3.490 2.480 2.121 2.999 . 0 0 "[ . 1 . 2]" 1
1127 1 26 GLU HA 1 26 GLU QG . . 3.540 2.788 2.118 3.442 . 0 0 "[ . 1 . 2]" 1
1128 1 26 GLU QB 1 27 ASP H . . 3.850 2.868 2.453 3.512 . 0 0 "[ . 1 . 2]" 1
1129 1 27 ASP H 1 27 ASP QB . . 3.020 2.237 2.155 2.285 . 0 0 "[ . 1 . 2]" 1
1130 1 27 ASP QB 1 28 HIS H . . 3.830 2.551 2.462 2.662 . 0 0 "[ . 1 . 2]" 1
1131 1 28 HIS H 1 28 HIS QB . . 3.310 2.208 2.102 2.288 . 0 0 "[ . 1 . 2]" 1
1132 1 28 HIS H 1 29 GLY QA . . 4.910 4.500 4.334 4.562 . 0 0 "[ . 1 . 2]" 1
1133 1 28 HIS QB 1 29 GLY H . . 4.190 3.097 3.084 3.139 . 0 0 "[ . 1 . 2]" 1
1134 1 28 HIS QB 1 30 ILE H . . 4.590 3.244 2.924 3.612 . 0 0 "[ . 1 . 2]" 1
1135 1 28 HIS QB 1 30 ILE MG . . 4.930 4.598 4.485 4.725 . 0 0 "[ . 1 . 2]" 1
1136 1 28 HIS QB 1 30 ILE MD . . 3.580 2.551 2.199 2.938 . 0 0 "[ . 1 . 2]" 1
1137 1 29 GLY H 1 30 ILE QG . . 5.100 3.705 3.385 3.890 . 0 0 "[ . 1 . 2]" 1
1138 1 30 ILE H 1 30 ILE QG . . 3.320 2.444 2.314 2.627 . 0 0 "[ . 1 . 2]" 1
1139 1 30 ILE HA 1 30 ILE QG . . 3.170 2.532 2.417 3.038 . 0 0 "[ . 1 . 2]" 1
1140 1 30 ILE HA 1 31 ASP QB . . 4.330 4.131 3.962 4.351 0.021 16 0 "[ . 1 . 2]" 1
1141 1 30 ILE MG 1 31 ASP QB . . 4.430 3.773 3.586 4.135 . 0 0 "[ . 1 . 2]" 1
1142 1 30 ILE MG 1 32 TYR QB . . 5.130 3.767 2.601 4.309 . 0 0 "[ . 1 . 2]" 1
1143 1 31 ASP H 1 31 ASP QB . . 2.980 2.369 2.228 2.827 . 0 0 "[ . 1 . 2]" 1
1144 1 32 TYR QB 1 32 TYR HD2 . . 3.270 2.278 2.263 2.292 . 0 0 "[ . 1 . 2]" 1
1145 1 32 TYR QB 1 33 THR H . . 3.620 3.017 2.628 3.301 . 0 0 "[ . 1 . 2]" 1
1146 1 32 TYR HD2 1 99 LEU QD . . 4.830 3.652 2.647 4.194 . 0 0 "[ . 1 . 2]" 1
1147 1 34 PHE H 1 34 PHE QB . . 3.210 2.255 2.228 2.279 . 0 0 "[ . 1 . 2]" 1
1148 1 35 HIS H 1 35 HIS QB . . 3.630 2.462 2.322 2.551 . 0 0 "[ . 1 . 2]" 1
1149 1 35 HIS HA 1 40 GLU QB . . 5.340 4.539 3.529 5.338 . 0 0 "[ . 1 . 2]" 1
1150 1 35 HIS HD2 1 40 GLU QB . . 4.820 3.925 3.027 4.821 0.001 5 0 "[ . 1 . 2]" 1
1151 1 35 HIS HD2 1 40 GLU QG . . 4.400 2.952 1.929 4.399 . 0 0 "[ . 1 . 2]" 1
1152 1 36 ASP H 1 40 GLU QB . . 4.680 3.929 3.055 4.688 0.008 7 0 "[ . 1 . 2]" 1
1153 1 36 ASP H 1 40 GLU QG . . 4.850 4.247 2.220 4.857 0.007 14 0 "[ . 1 . 2]" 1
1154 1 36 ASP HB3 1 39 LYS QG . . 5.340 3.941 2.689 4.697 . 0 0 "[ . 1 . 2]" 1
1155 1 37 TYR H 1 37 TYR QB . . 3.570 2.301 2.190 2.418 . 0 0 "[ . 1 . 2]" 1
1156 1 37 TYR QB 1 37 TYR QE . . 4.570 3.944 3.935 3.962 . 0 0 "[ . 1 . 2]" 1
1157 1 37 TYR QB 1 91 PRO HB2 . . 3.740 2.958 2.577 3.300 . 0 0 "[ . 1 . 2]" 1
1158 1 37 TYR QB 1 91 PRO HB3 . . 4.470 4.179 3.719 4.460 . 0 0 "[ . 1 . 2]" 1
1159 1 37 TYR QB 1 91 PRO HG2 . . 3.910 2.735 1.991 3.530 . 0 0 "[ . 1 . 2]" 1
1160 1 38 LYS H 1 38 LYS QB . . 3.540 2.264 2.125 2.325 . 0 0 "[ . 1 . 2]" 1
1161 1 38 LYS QB 1 39 LYS H . . 4.450 2.414 2.140 2.893 . 0 0 "[ . 1 . 2]" 1
1162 1 38 LYS QB 1 39 LYS HB2 . . 4.380 4.105 3.892 4.394 0.014 7 0 "[ . 1 . 2]" 1
1163 1 39 LYS HA 1 39 LYS QG . . 3.720 2.348 2.154 2.699 . 0 0 "[ . 1 . 2]" 1
1164 1 40 GLU H 1 40 GLU QB . . 3.430 2.241 2.078 2.558 . 0 0 "[ . 1 . 2]" 1
1165 1 40 GLU H 1 40 GLU QG . . 4.210 3.408 2.019 4.142 . 0 0 "[ . 1 . 2]" 1
1166 1 40 GLU HA 1 40 GLU QG . . 3.220 2.631 2.150 3.340 0.120 1 0 "[ . 1 . 2]" 1
1167 1 40 GLU QB 1 41 GLY H . . 4.130 2.755 1.929 3.606 . 0 0 "[ . 1 . 2]" 1
1168 1 41 GLY H 1 42 LEU QB . . 4.800 4.701 4.481 4.806 0.006 7 0 "[ . 1 . 2]" 1
1169 1 41 GLY QA 1 42 LEU H . . 2.990 2.184 2.115 2.273 . 0 0 "[ . 1 . 2]" 1
1170 1 42 LEU H 1 42 LEU QB . . 3.390 2.275 2.077 2.666 . 0 0 "[ . 1 . 2]" 1
1171 1 42 LEU H 1 42 LEU QD . . 4.740 3.475 2.756 3.751 . 0 0 "[ . 1 . 2]" 1
1172 1 42 LEU QB 1 91 PRO HB2 . . 4.680 3.629 3.057 4.158 . 0 0 "[ . 1 . 2]" 1
1173 1 42 LEU QB 1 91 PRO HB3 . . 4.160 3.157 2.707 3.810 . 0 0 "[ . 1 . 2]" 1
1174 1 42 LEU QB 1 91 PRO HG2 . . 4.580 3.511 3.142 3.875 . 0 0 "[ . 1 . 2]" 1
1175 1 42 LEU QB 1 91 PRO HG3 . . 4.350 2.202 1.904 2.706 . 0 0 "[ . 1 . 2]" 1
1176 1 42 LEU HG 1 94 VAL QG . . 4.530 4.059 3.620 4.542 0.012 14 0 "[ . 1 . 2]" 1
1177 1 42 LEU QD 1 43 ASP H . . 3.560 2.318 1.983 2.925 . 0 0 "[ . 1 . 2]" 1
1178 1 42 LEU QD 1 46 THR H . . 4.780 3.771 3.495 4.562 . 0 0 "[ . 1 . 2]" 1
1179 1 42 LEU QD 1 46 THR HB . . 3.940 2.035 1.768 2.320 . 0 0 "[ . 1 . 2]" 1
1180 1 42 LEU QD 1 46 THR MG . . 3.170 2.492 2.026 3.023 . 0 0 "[ . 1 . 2]" 1
1181 1 42 LEU QD 1 47 LEU H . . 3.900 2.517 2.230 3.506 . 0 0 "[ . 1 . 2]" 1
1182 1 42 LEU QD 1 47 LEU HA . . 4.370 2.845 2.322 3.570 . 0 0 "[ . 1 . 2]" 1
1183 1 42 LEU QD 1 91 PRO HB2 . . 4.020 3.461 3.113 3.851 . 0 0 "[ . 1 . 2]" 1
1184 1 43 ASP H 1 43 ASP QB . . 3.520 2.612 2.295 3.070 . 0 0 "[ . 1 . 2]" 1
1185 1 43 ASP QB 1 44 ALA H . . 3.110 2.634 2.199 2.852 . 0 0 "[ . 1 . 2]" 1
1186 1 43 ASP QB 1 44 ALA MB . . 4.390 3.882 3.546 4.096 . 0 0 "[ . 1 . 2]" 1
1187 1 43 ASP QB 1 45 GLU H . . 3.950 2.730 2.514 3.010 . 0 0 "[ . 1 . 2]" 1
1188 1 44 ALA H 1 88 LEU QD . . 4.160 3.052 2.337 3.734 . 0 0 "[ . 1 . 2]" 1
1189 1 44 ALA HA 1 88 LEU QD . . 3.070 2.024 1.881 2.564 . 0 0 "[ . 1 . 2]" 1
1190 1 44 ALA MB 1 45 GLU QB . . 4.280 3.909 3.803 4.026 . 0 0 "[ . 1 . 2]" 1
1191 1 44 ALA MB 1 88 LEU QD . . 3.310 2.207 1.885 3.312 0.002 1 0 "[ . 1 . 2]" 1
1192 1 45 GLU H 1 45 GLU QB . . 2.760 2.180 2.135 2.247 . 0 0 "[ . 1 . 2]" 1
1193 1 45 GLU H 1 45 GLU QG . . 4.480 3.916 3.830 4.049 . 0 0 "[ . 1 . 2]" 1
1194 1 45 GLU HA 1 45 GLU QG . . 3.240 2.368 2.155 2.884 . 0 0 "[ . 1 . 2]" 1
1195 1 45 GLU HA 1 48 ASP QB . . 3.380 3.064 2.848 3.212 . 0 0 "[ . 1 . 2]" 1
1196 1 45 GLU QB 1 46 THR H . . 3.520 2.343 2.316 2.397 . 0 0 "[ . 1 . 2]" 1
1197 1 45 GLU QB 1 46 THR HA . . 4.540 3.921 3.812 4.121 . 0 0 "[ . 1 . 2]" 1
1198 1 45 GLU QG 1 46 THR H . . 4.500 3.852 3.397 4.283 . 0 0 "[ . 1 . 2]" 1
1199 1 46 THR H 1 47 LEU QB . . 5.340 4.411 4.330 4.477 . 0 0 "[ . 1 . 2]" 1
1200 1 46 THR HA 1 49 ARG QB . . 3.840 2.620 2.383 2.904 . 0 0 "[ . 1 . 2]" 1
1201 1 47 LEU H 1 88 LEU QD . . 5.050 4.190 3.197 4.849 . 0 0 "[ . 1 . 2]" 1
1202 1 47 LEU HA 1 47 LEU QD . . 3.300 1.916 1.889 2.028 . 0 0 "[ . 1 . 2]" 1
1203 1 47 LEU QB 1 48 ASP H . . 3.340 2.353 2.217 2.486 . 0 0 "[ . 1 . 2]" 1
1204 1 47 LEU QB 1 50 PHE H . . 5.340 4.973 4.822 5.103 . 0 0 "[ . 1 . 2]" 1
1205 1 47 LEU QB 1 88 LEU HB2 . . 4.060 3.453 3.058 4.056 . 0 0 "[ . 1 . 2]" 1
1206 1 47 LEU HG 1 87 MET QB . . 4.310 3.193 2.908 3.703 . 0 0 "[ . 1 . 2]" 1
1207 1 47 LEU HG 1 88 LEU QD . . 3.630 3.014 1.958 3.506 . 0 0 "[ . 1 . 2]" 1
1208 1 47 LEU QD 1 48 ASP H . . 4.600 3.375 2.601 3.587 . 0 0 "[ . 1 . 2]" 1
1209 1 47 LEU QD 1 50 PHE H . . 4.780 4.181 4.020 4.342 . 0 0 "[ . 1 . 2]" 1
1210 1 47 LEU QD 1 50 PHE HB2 . . 4.390 3.301 3.145 3.533 . 0 0 "[ . 1 . 2]" 1
1211 1 47 LEU QD 1 50 PHE HD2 . . 3.760 3.492 2.834 3.760 0.000 12 0 "[ . 1 . 2]" 1
1212 1 47 LEU QD 1 84 ARG QD . . 5.280 3.500 1.973 4.225 . 0 0 "[ . 1 . 2]" 1
1213 1 47 LEU QD 1 88 LEU HB2 . . 3.460 3.209 2.860 3.403 . 0 0 "[ . 1 . 2]" 1
1214 1 48 ASP H 1 48 ASP QB . . 3.080 2.209 2.161 2.252 . 0 0 "[ . 1 . 2]" 1
1215 1 48 ASP QB 1 49 ARG H . . 3.750 2.404 2.279 2.607 . 0 0 "[ . 1 . 2]" 1
1216 1 49 ARG H 1 49 ARG QB . . 3.080 2.239 2.090 2.380 . 0 0 "[ . 1 . 2]" 1
1217 1 49 ARG H 1 49 ARG QG . . 4.040 3.005 2.339 4.040 0.000 2 0 "[ . 1 . 2]" 1
1218 1 49 ARG HA 1 49 ARG QG . . 3.430 2.424 2.158 2.718 . 0 0 "[ . 1 . 2]" 1
1219 1 49 ARG QB 1 49 ARG QD . . 3.310 2.210 2.060 2.475 . 0 0 "[ . 1 . 2]" 1
1220 1 49 ARG QB 1 50 PHE H . . 3.340 2.638 2.430 2.832 . 0 0 "[ . 1 . 2]" 1
1221 1 49 ARG QG 1 50 PHE H . . 4.990 4.208 3.746 4.574 . 0 0 "[ . 1 . 2]" 1
1222 1 50 PHE H 1 51 LEU QB . . 5.340 4.233 4.169 4.351 . 0 0 "[ . 1 . 2]" 1
1223 1 50 PHE HA 1 59 LEU QD . . 4.020 3.848 3.310 4.025 0.005 14 0 "[ . 1 . 2]" 1
1224 1 50 PHE HB2 1 59 LEU QD . . 3.910 3.159 2.530 3.637 . 0 0 "[ . 1 . 2]" 1
1225 1 50 PHE HB3 1 59 LEU QD . . 3.890 2.231 1.957 2.572 . 0 0 "[ . 1 . 2]" 1
1226 1 50 PHE HE1 1 105 LEU QD . . 3.760 2.012 1.870 2.543 . 0 0 "[ . 1 . 2]" 1
1227 1 50 PHE HD1 1 59 LEU QD . . 4.040 3.779 2.807 4.043 0.003 8 0 "[ . 1 . 2]" 1
1228 1 50 PHE HD1 1 105 LEU QD . . 4.160 2.259 1.744 2.987 . 0 0 "[ . 1 . 2]" 1
1229 1 51 LEU H 1 51 LEU QB . . 3.170 2.142 2.069 2.180 . 0 0 "[ . 1 . 2]" 1
1230 1 51 LEU H 1 51 LEU QD . . 3.790 3.421 3.191 3.526 . 0 0 "[ . 1 . 2]" 1
1231 1 51 LEU H 1 59 LEU QD . . 4.750 3.774 3.318 4.162 . 0 0 "[ . 1 . 2]" 1
1232 1 51 LEU QB 1 52 LYS QB . . 4.820 4.256 3.598 4.420 . 0 0 "[ . 1 . 2]" 1
1233 1 51 LEU QB 1 84 ARG QD . . 3.940 3.132 2.654 3.713 . 0 0 "[ . 1 . 2]" 1
1234 1 51 LEU HG 1 84 ARG QB . . 4.780 4.129 3.932 4.437 . 0 0 "[ . 1 . 2]" 1
1235 1 51 LEU HG 1 84 ARG QD . . 3.700 2.247 1.976 2.930 . 0 0 "[ . 1 . 2]" 1
1236 1 51 LEU QD 1 52 LYS QG . . 4.120 3.872 3.503 4.120 . 0 0 "[ . 1 . 2]" 1
1237 1 51 LEU QD 1 56 TRP H . . 4.000 2.317 2.112 2.510 . 0 0 "[ . 1 . 2]" 1
1238 1 51 LEU QD 1 56 TRP HA . . 3.360 2.836 2.204 3.325 . 0 0 "[ . 1 . 2]" 1
1239 1 51 LEU QD 1 56 TRP QB . . 3.610 2.081 1.892 2.375 . 0 0 "[ . 1 . 2]" 1
1240 1 51 LEU QD 1 56 TRP HD1 . . 4.330 2.386 1.985 2.755 . 0 0 "[ . 1 . 2]" 1
1241 1 51 LEU QD 1 84 ARG QD . . 4.740 2.996 2.557 3.428 . 0 0 "[ . 1 . 2]" 1
1242 1 52 LYS H 1 52 LYS QB . . 3.300 2.262 2.066 2.457 . 0 0 "[ . 1 . 2]" 1
1243 1 52 LYS H 1 52 LYS QG . . 3.780 2.697 2.180 3.674 . 0 0 "[ . 1 . 2]" 1
1244 1 52 LYS HA 1 52 LYS QG . . 3.670 2.355 2.109 2.697 . 0 0 "[ . 1 . 2]" 1
1245 1 52 LYS HA 1 52 LYS QD . . 4.670 3.705 2.093 4.146 . 0 0 "[ . 1 . 2]" 1
1246 1 52 LYS QB 1 53 THR H . . 4.010 2.724 2.407 2.965 . 0 0 "[ . 1 . 2]" 1
1247 1 53 THR H 1 54 VAL QG . . 4.490 4.211 3.573 4.403 . 0 0 "[ . 1 . 2]" 1
1248 1 53 THR HB 1 54 VAL QG . . 3.560 2.711 2.446 2.923 . 0 0 "[ . 1 . 2]" 1
1249 1 54 VAL H 1 54 VAL QG . . 3.400 2.866 2.027 2.949 . 0 0 "[ . 1 . 2]" 1
1250 1 54 VAL H 1 59 LEU QD . . 4.670 3.752 3.093 4.078 . 0 0 "[ . 1 . 2]" 1
1251 1 54 VAL HB 1 59 LEU QD . . 2.720 2.173 1.884 2.786 0.066 1 0 "[ . 1 . 2]" 1
1252 1 54 VAL QG 1 55 PRO QD . . 3.950 1.911 1.881 2.469 . 0 0 "[ . 1 . 2]" 1
1253 1 54 VAL QG 1 59 LEU H . . 4.850 3.988 3.740 4.851 0.001 1 0 "[ . 1 . 2]" 1
1254 1 54 VAL QG 1 59 LEU HB2 . . 3.670 2.592 1.941 3.727 0.057 1 0 "[ . 1 . 2]" 1
1255 1 54 VAL QG 1 105 LEU H . . 4.890 3.316 2.518 4.467 . 0 0 "[ . 1 . 2]" 1
1256 1 54 VAL QG 1 105 LEU QB . . 3.680 2.235 1.773 3.562 . 0 0 "[ . 1 . 2]" 1
1257 1 55 PRO QG 1 58 GLN H . . 4.230 2.791 2.549 2.946 . 0 0 "[ . 1 . 2]" 1
1258 1 55 PRO QG 1 58 GLN QG . . 4.270 2.885 2.062 3.514 . 0 0 "[ . 1 . 2]" 1
1259 1 56 TRP H 1 56 TRP QB . . 3.430 2.550 2.400 2.612 . 0 0 "[ . 1 . 2]" 1
1260 1 56 TRP QB 1 56 TRP HD1 . . 3.370 2.601 2.556 2.635 . 0 0 "[ . 1 . 2]" 1
1261 1 56 TRP QB 1 83 ALA MB . . 3.370 2.288 1.895 2.754 . 0 0 "[ . 1 . 2]" 1
1262 1 56 TRP QB 1 84 ARG H . . 5.340 4.595 4.228 4.982 . 0 0 "[ . 1 . 2]" 1
1263 1 56 TRP HZ3 1 78 VAL QG . . 4.230 2.936 1.910 3.620 . 0 0 "[ . 1 . 2]" 1
1264 1 57 GLU H 1 57 GLU QB . . 3.010 2.437 2.354 2.612 . 0 0 "[ . 1 . 2]" 1
1265 1 57 GLU H 1 57 GLU QG . . 3.270 2.310 2.042 2.431 . 0 0 "[ . 1 . 2]" 1
1266 1 57 GLU QB 1 57 GLU QG . . 2.350 2.063 2.051 2.079 . 0 0 "[ . 1 . 2]" 1
1267 1 57 GLU QB 1 58 GLN H . . 4.010 3.515 3.471 3.588 . 0 0 "[ . 1 . 2]" 1
1268 1 57 GLU QB 1 58 GLN QG . . 4.040 3.517 3.269 3.705 . 0 0 "[ . 1 . 2]" 1
1269 1 57 GLU QG 1 58 GLN H . . 4.170 2.087 1.942 2.246 . 0 0 "[ . 1 . 2]" 1
1270 1 57 GLU QG 1 58 GLN QG . . 4.080 2.042 1.861 2.679 . 0 0 "[ . 1 . 2]" 1
1271 1 57 GLU QG 1 59 LEU H . . 4.820 4.299 4.185 4.433 . 0 0 "[ . 1 . 2]" 1
1272 1 58 GLN H 1 58 GLN QB . . 3.310 2.519 2.435 2.637 . 0 0 "[ . 1 . 2]" 1
1273 1 58 GLN H 1 58 GLN QG . . 3.350 3.018 2.617 3.215 . 0 0 "[ . 1 . 2]" 1
1274 1 58 GLN HA 1 58 GLN QG . . 2.950 2.303 2.209 2.471 . 0 0 "[ . 1 . 2]" 1
1275 1 58 GLN HA 1 107 VAL QG . . 4.660 4.637 4.402 4.671 0.011 19 0 "[ . 1 . 2]" 1
1276 1 58 GLN QB 1 59 LEU H . . 4.360 3.748 3.713 3.774 . 0 0 "[ . 1 . 2]" 1
1277 1 58 GLN QB 1 107 VAL QG . . 3.670 3.613 3.345 3.681 0.011 12 0 "[ . 1 . 2]" 1
1278 1 58 GLN QG 1 59 LEU H . . 4.720 4.510 4.396 4.566 . 0 0 "[ . 1 . 2]" 1
1279 1 59 LEU H 1 59 LEU QD . . 4.480 3.849 3.756 3.914 . 0 0 "[ . 1 . 2]" 1
1280 1 59 LEU HA 1 59 LEU QD . . 3.810 2.392 2.008 3.048 . 0 0 "[ . 1 . 2]" 1
1281 1 59 LEU HA 1 107 VAL QG . . 4.320 3.908 3.315 4.327 0.007 16 0 "[ . 1 . 2]" 1
1282 1 59 LEU HG 1 94 VAL QG . . 3.830 2.562 2.002 3.671 . 0 0 "[ . 1 . 2]" 1
1283 1 59 LEU QD 1 94 VAL QG . . 3.780 2.513 1.727 2.936 . 0 0 "[ . 1 . 2]" 1
1284 1 59 LEU QD 1 95 LYS H . . 5.180 4.073 3.472 4.606 . 0 0 "[ . 1 . 2]" 1
1285 1 60 LEU HB2 1 93 MET QB . . 4.510 3.130 2.582 4.027 . 0 0 "[ . 1 . 2]" 1
1286 1 60 LEU HG 1 62 ARG QG . . 3.960 3.716 3.324 3.957 . 0 0 "[ . 1 . 2]" 1
1287 1 60 LEU HG 1 62 ARG QD . . 4.330 3.526 3.078 4.128 . 0 0 "[ . 1 . 2]" 1
1288 1 60 LEU MD1 1 93 MET QB . . 3.810 3.441 2.824 3.822 0.012 10 0 "[ . 1 . 2]" 1
1289 1 60 LEU MD1 1 93 MET QG . . 4.400 3.890 2.171 4.403 0.003 11 0 "[ . 1 . 2]" 1
1290 1 60 LEU MD2 1 87 MET QG . . 3.660 3.296 2.837 3.665 0.005 20 0 "[ . 1 . 2]" 1
1291 1 60 LEU MD2 1 93 MET QB . . 5.340 4.536 3.957 5.349 0.009 20 0 "[ . 1 . 2]" 1
1292 1 61 ASN HD21 1 62 ARG QG . . 5.340 5.269 5.046 5.374 0.034 18 0 "[ . 1 . 2]" 1
1293 1 62 ARG H 1 62 ARG QG . . 3.700 3.533 3.322 3.676 . 0 0 "[ . 1 . 2]" 1
1294 1 62 ARG HA 1 62 ARG QG . . 3.360 2.236 2.149 2.389 . 0 0 "[ . 1 . 2]" 1
1295 1 62 ARG HA 1 62 ARG QD . . 3.670 3.429 3.285 3.682 0.012 11 0 "[ . 1 . 2]" 1
1296 1 62 ARG HB2 1 62 ARG QD . . 3.620 2.209 1.936 2.550 . 0 0 "[ . 1 . 2]" 1
1297 1 62 ARG HB3 1 62 ARG QD . . 3.720 3.321 3.039 3.477 . 0 0 "[ . 1 . 2]" 1
1298 1 62 ARG QD 1 63 ALA H . . 4.140 4.029 3.456 4.170 0.030 20 0 "[ . 1 . 2]" 1
1299 1 63 ALA H 1 64 GLY QA . . 4.910 4.170 3.996 4.270 . 0 0 "[ . 1 . 2]" 1
1300 1 65 THR HA 1 68 ARG QD . . 4.180 3.465 2.588 4.082 . 0 0 "[ . 1 . 2]" 1
1301 1 66 THR HB 1 93 MET QB . . 4.770 3.932 2.844 4.586 . 0 0 "[ . 1 . 2]" 1
1302 1 66 THR HB 1 93 MET QG . . 4.280 2.508 1.919 4.179 . 0 0 "[ . 1 . 2]" 1
1303 1 66 THR MG 1 90 GLN QE . . 4.600 4.245 3.152 4.602 0.002 2 0 "[ . 1 . 2]" 1
1304 1 66 THR MG 1 93 MET QB . . 4.280 3.368 1.772 4.162 . 0 0 "[ . 1 . 2]" 1
1305 1 66 THR MG 1 93 MET QG . . 3.500 2.101 1.787 3.510 0.010 20 0 "[ . 1 . 2]" 1
1306 1 67 PHE QE 1 75 ARG QB . . 4.280 3.017 2.499 3.373 . 0 0 "[ . 1 . 2]" 1
1307 1 67 PHE QE 1 75 ARG QG . . 4.420 3.102 2.447 3.384 . 0 0 "[ . 1 . 2]" 1
1308 1 68 ARG HA 1 75 ARG QD . . 4.350 3.541 1.985 4.380 0.030 9 0 "[ . 1 . 2]" 1
1309 1 69 LYS H 1 69 LYS QB . . 3.370 2.233 2.143 2.356 . 0 0 "[ . 1 . 2]" 1
1310 1 69 LYS QB 1 70 LEU H . . 3.100 2.675 2.287 3.028 . 0 0 "[ . 1 . 2]" 1
1311 1 70 LEU H 1 75 ARG QD . . 4.280 3.572 2.865 4.311 0.031 20 0 "[ . 1 . 2]" 1
1312 1 70 LEU HB2 1 75 ARG QG . . 3.930 2.448 1.975 2.792 . 0 0 "[ . 1 . 2]" 1
1313 1 70 LEU HB2 1 75 ARG QD . . 4.480 3.024 1.974 4.168 . 0 0 "[ . 1 . 2]" 1
1314 1 71 PRO QG 1 74 VAL HB . . 3.220 2.286 1.998 2.512 . 0 0 "[ . 1 . 2]" 1
1315 1 71 PRO QG 1 74 VAL MG1 . . 3.990 3.675 3.490 3.817 . 0 0 "[ . 1 . 2]" 1
1316 1 71 PRO QG 1 74 VAL MG2 . . 3.260 1.964 1.923 2.019 . 0 0 "[ . 1 . 2]" 1
1317 1 72 GLU H 1 72 GLU QG . . 4.660 2.515 1.919 3.976 . 0 0 "[ . 1 . 2]" 1
1318 1 72 GLU HA 1 72 GLU QG . . 3.720 2.827 2.144 3.350 . 0 0 "[ . 1 . 2]" 1
1319 1 72 GLU HA 1 75 ARG QB . . 3.570 2.499 2.242 2.982 . 0 0 "[ . 1 . 2]" 1
1320 1 72 GLU HA 1 75 ARG QG . . 4.310 3.745 3.229 4.087 . 0 0 "[ . 1 . 2]" 1
1321 1 72 GLU QB 1 73 ASP H . . 3.410 3.051 2.433 3.425 0.015 9 0 "[ . 1 . 2]" 1
1322 1 72 GLU QB 1 73 ASP QB . . 5.180 4.698 3.934 5.176 . 0 0 "[ . 1 . 2]" 1
1323 1 72 GLU QG 1 73 ASP H . . 4.850 3.222 1.949 4.588 . 0 0 "[ . 1 . 2]" 1
1324 1 73 ASP HA 1 77 ASN QD . . 4.400 3.695 3.078 4.299 . 0 0 "[ . 1 . 2]" 1
1325 1 73 ASP QB 1 74 VAL HB . . 4.700 4.513 4.381 4.575 . 0 0 "[ . 1 . 2]" 1
1326 1 73 ASP QB 1 74 VAL MG2 . . 4.120 2.984 2.782 3.136 . 0 0 "[ . 1 . 2]" 1
1327 1 75 ARG H 1 75 ARG QB . . 3.410 2.291 2.177 2.512 . 0 0 "[ . 1 . 2]" 1
1328 1 75 ARG H 1 75 ARG QG . . 3.390 2.562 2.059 2.828 . 0 0 "[ . 1 . 2]" 1
1329 1 75 ARG H 1 75 ARG QD . . 5.000 4.061 3.112 4.486 . 0 0 "[ . 1 . 2]" 1
1330 1 75 ARG HA 1 75 ARG QG . . 3.620 2.598 2.270 3.004 . 0 0 "[ . 1 . 2]" 1
1331 1 75 ARG HA 1 75 ARG QD . . 4.710 3.117 2.170 4.146 . 0 0 "[ . 1 . 2]" 1
1332 1 75 ARG QB 1 76 SER H . . 3.410 2.906 2.591 2.993 . 0 0 "[ . 1 . 2]" 1
1333 1 75 ARG QB 1 76 SER HA . . 4.760 3.985 3.794 4.076 . 0 0 "[ . 1 . 2]" 1
1334 1 75 ARG QG 1 76 SER H . . 4.650 4.342 4.072 4.455 . 0 0 "[ . 1 . 2]" 1
1335 1 76 SER H 1 76 SER QB . . 3.000 2.245 2.123 2.385 . 0 0 "[ . 1 . 2]" 1
1336 1 76 SER QB 1 77 ASN H . . 4.290 3.079 2.925 3.536 . 0 0 "[ . 1 . 2]" 1
1337 1 76 SER QB 1 77 ASN QD . . 4.760 3.651 2.428 4.690 . 0 0 "[ . 1 . 2]" 1
1338 1 77 ASN H 1 78 VAL QG . . 4.560 3.875 3.251 4.318 . 0 0 "[ . 1 . 2]" 1
1339 1 77 ASN HB2 1 77 ASN QD . . 3.260 2.353 2.094 2.618 . 0 0 "[ . 1 . 2]" 1
1340 1 78 VAL QG 1 82 SER H . . 5.260 5.000 4.236 5.265 0.005 12 0 "[ . 1 . 2]" 1
1341 1 78 VAL QG 1 82 SER QB . . 4.990 3.233 2.436 3.883 . 0 0 "[ . 1 . 2]" 1
1342 1 78 VAL QG 1 83 ALA H . . 3.810 3.438 2.907 3.781 . 0 0 "[ . 1 . 2]" 1
1343 1 79 ASP H 1 82 SER QB . . 3.750 2.325 1.938 2.766 . 0 0 "[ . 1 . 2]" 1
1344 1 79 ASP QB 1 80 ALA H . . 2.980 2.159 2.012 2.484 . 0 0 "[ . 1 . 2]" 1
1345 1 79 ASP QB 1 80 ALA MB . . 3.790 3.541 3.355 3.761 . 0 0 "[ . 1 . 2]" 1
1346 1 79 ASP QB 1 81 ALA H . . 4.180 3.107 2.651 3.338 . 0 0 "[ . 1 . 2]" 1
1347 1 81 ALA HA 1 84 ARG QB . . 3.580 2.894 2.677 3.071 . 0 0 "[ . 1 . 2]" 1
1348 1 82 SER H 1 82 SER QB . . 3.080 2.557 2.108 2.919 . 0 0 "[ . 1 . 2]" 1
1349 1 82 SER H 1 86 LEU QD . . 5.440 5.085 4.875 5.318 . 0 0 "[ . 1 . 2]" 1
1350 1 82 SER HA 1 85 GLU QG . . 3.690 2.822 2.610 3.160 . 0 0 "[ . 1 . 2]" 1
1351 1 82 SER QB 1 83 ALA H . . 3.920 2.510 2.316 2.696 . 0 0 "[ . 1 . 2]" 1
1352 1 82 SER QB 1 84 ARG H . . 5.340 4.862 4.703 4.997 . 0 0 "[ . 1 . 2]" 1
1353 1 83 ALA H 1 84 ARG QB . . 4.990 4.706 4.583 4.842 . 0 0 "[ . 1 . 2]" 1
1354 1 83 ALA H 1 84 ARG QG . . 5.340 4.903 4.434 5.331 . 0 0 "[ . 1 . 2]" 1
1355 1 83 ALA H 1 86 LEU QD . . 4.320 3.698 3.321 4.155 . 0 0 "[ . 1 . 2]" 1
1356 1 83 ALA HA 1 86 LEU QB . . 4.490 2.741 2.386 3.057 . 0 0 "[ . 1 . 2]" 1
1357 1 83 ALA HA 1 86 LEU QD . . 3.220 2.471 2.081 3.234 0.014 15 0 "[ . 1 . 2]" 1
1358 1 84 ARG H 1 84 ARG QB . . 3.020 2.296 2.173 2.438 . 0 0 "[ . 1 . 2]" 1
1359 1 84 ARG H 1 84 ARG QG . . 3.660 2.528 2.180 2.875 . 0 0 "[ . 1 . 2]" 1
1360 1 84 ARG H 1 84 ARG QD . . 4.630 4.079 3.204 4.486 . 0 0 "[ . 1 . 2]" 1
1361 1 84 ARG HA 1 84 ARG QG . . 3.350 2.314 2.182 2.441 . 0 0 "[ . 1 . 2]" 1
1362 1 84 ARG QB 1 84 ARG QD . . 3.320 2.232 1.989 2.422 . 0 0 "[ . 1 . 2]" 1
1363 1 84 ARG QB 1 85 GLU H . . 3.310 2.595 2.401 2.752 . 0 0 "[ . 1 . 2]" 1
1364 1 84 ARG QG 1 85 GLU H . . 5.340 4.240 4.082 4.362 . 0 0 "[ . 1 . 2]" 1
1365 1 84 ARG QD 1 85 GLU H . . 5.340 5.042 4.577 5.330 . 0 0 "[ . 1 . 2]" 1
1366 1 85 GLU H 1 86 LEU QD . . 4.670 4.504 3.833 4.669 . 0 0 "[ . 1 . 2]" 1
1367 1 85 GLU HA 1 85 GLU QG . . 3.490 2.555 2.334 2.783 . 0 0 "[ . 1 . 2]" 1
1368 1 85 GLU HB2 1 86 LEU QD . . 4.500 3.829 2.708 4.181 . 0 0 "[ . 1 . 2]" 1
1369 1 86 LEU H 1 86 LEU QB . . 3.440 2.335 2.105 2.548 . 0 0 "[ . 1 . 2]" 1
1370 1 86 LEU H 1 86 LEU QD . . 3.660 2.933 2.159 3.147 . 0 0 "[ . 1 . 2]" 1
1371 1 86 LEU HA 1 86 LEU QD . . 3.150 2.325 1.956 2.524 . 0 0 "[ . 1 . 2]" 1
1372 1 86 LEU QB 1 87 MET H . . 3.580 2.425 2.253 2.749 . 0 0 "[ . 1 . 2]" 1
1373 1 86 LEU QB 1 87 MET ME . . 2.940 2.192 1.900 2.318 . 0 0 "[ . 1 . 2]" 1
1374 1 86 LEU QB 1 90 GLN QE . . 5.180 4.462 2.440 5.099 . 0 0 "[ . 1 . 2]" 1
1375 1 86 LEU QD 1 87 MET H . . 4.080 3.912 3.770 4.082 0.002 20 0 "[ . 1 . 2]" 1
1376 1 86 LEU QD 1 87 MET ME . . 3.530 3.171 2.855 3.445 . 0 0 "[ . 1 . 2]" 1
1377 1 87 MET H 1 87 MET QB . . 3.380 2.359 2.133 2.509 . 0 0 "[ . 1 . 2]" 1
1378 1 87 MET H 1 87 MET QG . . 3.640 2.646 2.071 3.602 . 0 0 "[ . 1 . 2]" 1
1379 1 87 MET HA 1 94 VAL QG . . 3.700 3.361 2.885 3.708 0.008 18 0 "[ . 1 . 2]" 1
1380 1 87 MET QB 1 88 LEU H . . 4.110 2.748 2.507 2.844 . 0 0 "[ . 1 . 2]" 1
1381 1 87 MET QB 1 94 VAL QG . . 3.410 2.735 2.194 3.273 . 0 0 "[ . 1 . 2]" 1
1382 1 87 MET QG 1 94 VAL QG . . 3.760 2.885 1.808 3.519 . 0 0 "[ . 1 . 2]" 1
1383 1 87 MET ME 1 93 MET QG . . 3.470 3.168 1.953 3.493 0.023 14 0 "[ . 1 . 2]" 1
1384 1 88 LEU H 1 88 LEU QD . . 4.290 3.645 3.410 3.761 . 0 0 "[ . 1 . 2]" 1
1385 1 88 LEU HA 1 88 LEU QD . . 3.670 2.723 1.905 3.133 . 0 0 "[ . 1 . 2]" 1
1386 1 89 ALA MB 1 90 GLN QB . . 4.380 3.654 3.443 4.029 . 0 0 "[ . 1 . 2]" 1
1387 1 89 ALA MB 1 90 GLN QG . . 3.890 2.783 2.463 3.327 . 0 0 "[ . 1 . 2]" 1
1388 1 89 ALA MB 1 90 GLN QE . . 5.340 4.956 3.593 5.315 . 0 0 "[ . 1 . 2]" 1
1389 1 90 GLN H 1 90 GLN QB . . 3.330 2.942 2.491 3.169 . 0 0 "[ . 1 . 2]" 1
1390 1 90 GLN H 1 90 GLN QG . . 4.150 2.368 1.973 3.643 . 0 0 "[ . 1 . 2]" 1
1391 1 90 GLN H 1 91 PRO QD . . 3.790 3.210 3.041 3.321 . 0 0 "[ . 1 . 2]" 1
1392 1 90 GLN QB 1 90 GLN QE . . 3.800 2.235 1.909 3.525 . 0 0 "[ . 1 . 2]" 1
1393 1 90 GLN QB 1 92 SER H . . 4.360 3.382 3.207 3.614 . 0 0 "[ . 1 . 2]" 1
1394 1 90 GLN QG 1 92 SER H . . 5.340 4.575 4.185 5.075 . 0 0 "[ . 1 . 2]" 1
1395 1 91 PRO HA 1 94 VAL QG . . 3.560 2.244 1.966 2.681 . 0 0 "[ . 1 . 2]" 1
1396 1 91 PRO HB2 1 94 VAL QG . . 4.460 2.845 2.658 3.033 . 0 0 "[ . 1 . 2]" 1
1397 1 91 PRO HB3 1 94 VAL QG . . 4.280 3.088 2.776 3.509 . 0 0 "[ . 1 . 2]" 1
1398 1 91 PRO QD 1 92 SER H . . 4.060 2.779 2.700 2.823 . 0 0 "[ . 1 . 2]" 1
1399 1 92 SER H 1 92 SER QB . . 3.250 2.366 2.139 2.802 . 0 0 "[ . 1 . 2]" 1
1400 1 92 SER H 1 93 MET QB . . 5.340 4.448 4.262 4.696 . 0 0 "[ . 1 . 2]" 1
1401 1 93 MET H 1 93 MET QB . . 3.270 2.211 2.086 2.571 . 0 0 "[ . 1 . 2]" 1
1402 1 93 MET H 1 93 MET QG . . 3.810 3.158 2.163 3.900 0.090 10 0 "[ . 1 . 2]" 1
1403 1 93 MET H 1 94 VAL QG . . 4.260 3.478 3.342 3.628 . 0 0 "[ . 1 . 2]" 1
1404 1 94 VAL H 1 94 VAL QG . . 3.090 2.003 1.920 2.147 . 0 0 "[ . 1 . 2]" 1
1405 1 94 VAL HA 1 94 VAL QG . . 3.100 2.163 2.084 2.339 . 0 0 "[ . 1 . 2]" 1
1406 1 94 VAL QG 1 95 LYS H . . 3.440 2.368 1.965 3.314 . 0 0 "[ . 1 . 2]" 1
1407 1 94 VAL QG 1 95 LYS HA . . 4.360 4.005 3.879 4.321 . 0 0 "[ . 1 . 2]" 1
1408 1 95 LYS H 1 95 LYS QB . . 3.500 2.240 2.103 2.549 . 0 0 "[ . 1 . 2]" 1
1409 1 95 LYS H 1 107 VAL QG . . 5.420 4.883 4.044 5.438 0.018 11 0 "[ . 1 . 2]" 1
1410 1 95 LYS HA 1 96 ARG QB . . 4.710 4.327 3.911 4.664 . 0 0 "[ . 1 . 2]" 1
1411 1 95 LYS QB 1 107 VAL QG . . 3.780 2.632 2.062 3.246 . 0 0 "[ . 1 . 2]" 1
1412 1 96 ARG H 1 96 ARG QB . . 3.700 3.277 2.722 3.448 . 0 0 "[ . 1 . 2]" 1
1413 1 97 PRO HG3 1 108 GLY QA . . 4.490 3.411 3.214 3.665 . 0 0 "[ . 1 . 2]" 1
1414 1 97 PRO HD2 1 108 GLY QA . . 3.760 2.182 1.989 2.548 . 0 0 "[ . 1 . 2]" 1
1415 1 98 VAL MG1 1 100 GLU QG . . 4.670 4.275 3.998 4.650 . 0 0 "[ . 1 . 2]" 1
1416 1 98 VAL MG1 1 105 LEU QD . . 2.920 1.817 1.673 2.025 . 0 0 "[ . 1 . 2]" 1
1417 1 98 VAL MG2 1 105 LEU QB . . 5.140 5.091 4.198 5.157 0.017 1 0 "[ . 1 . 2]" 1
1418 1 98 VAL MG2 1 105 LEU QD . . 3.780 2.907 2.575 3.128 . 0 0 "[ . 1 . 2]" 1
1419 1 99 LEU H 1 99 LEU QD . . 5.150 2.897 2.485 3.879 . 0 0 "[ . 1 . 2]" 1
1420 1 99 LEU QB 1 106 MET H . . 4.590 3.355 3.002 3.678 . 0 0 "[ . 1 . 2]" 1
1421 1 99 LEU QD 1 100 GLU H . . 4.660 3.867 2.303 4.208 . 0 0 "[ . 1 . 2]" 1
1422 1 100 GLU H 1 100 GLU QB . . 3.620 2.434 2.363 2.525 . 0 0 "[ . 1 . 2]" 1
1423 1 100 GLU QB 1 105 LEU QD . . 4.430 2.805 2.251 4.414 . 0 0 "[ . 1 . 2]" 1
1424 1 100 GLU QG 1 103 GLY H . . 4.230 3.471 2.817 4.146 . 0 0 "[ . 1 . 2]" 1
1425 1 100 GLU QG 1 105 LEU QD . . 3.690 2.441 1.895 3.689 . 0 0 "[ . 1 . 2]" 1
1426 1 104 LYS H 1 104 LYS QB . . 3.480 2.386 2.204 2.516 . 0 0 "[ . 1 . 2]" 1
1427 1 104 LYS QB 1 105 LEU H . . 4.060 3.331 2.998 3.774 . 0 0 "[ . 1 . 2]" 1
1428 1 105 LEU H 1 105 LEU QB . . 3.140 2.321 2.205 2.402 . 0 0 "[ . 1 . 2]" 1
1429 1 105 LEU HA 1 105 LEU QD . . 3.960 2.361 1.972 3.153 . 0 0 "[ . 1 . 2]" 1
1430 1 105 LEU QB 1 106 MET H . . 3.830 3.469 2.967 3.736 . 0 0 "[ . 1 . 2]" 1
1431 1 105 LEU QD 1 106 MET H . . 4.070 3.082 2.679 3.868 . 0 0 "[ . 1 . 2]" 1
1432 1 106 MET QB 1 107 VAL H . . 4.330 3.140 2.560 3.548 . 0 0 "[ . 1 . 2]" 1
1433 1 106 MET QG 1 107 VAL H . . 3.980 3.139 2.069 3.980 . 0 0 "[ . 1 . 2]" 1
1434 1 107 VAL QG 1 108 GLY H . . 3.840 2.763 2.104 3.476 . 0 0 "[ . 1 . 2]" 1
1435 1 110 LYS H 1 113 GLN QB . . 4.190 3.384 3.237 3.481 . 0 0 "[ . 1 . 2]" 1
1436 1 110 LYS H 1 113 GLN QG . . 3.770 3.526 3.427 3.678 . 0 0 "[ . 1 . 2]" 1
1437 1 110 LYS HB2 1 113 GLN QB . . 3.680 2.909 2.630 3.099 . 0 0 "[ . 1 . 2]" 1
1438 1 110 LYS HB2 1 113 GLN QG . . 3.930 2.158 2.012 2.314 . 0 0 "[ . 1 . 2]" 1
1439 1 111 PRO QB 1 112 ALA H . . 3.710 2.849 2.844 2.854 . 0 0 "[ . 1 . 2]" 1
1440 1 111 PRO QG 1 112 ALA H . . 3.680 1.935 1.929 1.940 . 0 0 "[ . 1 . 2]" 1
1441 1 113 GLN H 1 113 GLN QB . . 3.230 2.526 2.433 2.580 . 0 0 "[ . 1 . 2]" 1
1442 1 113 GLN H 1 113 GLN QG . . 3.260 2.090 1.983 2.270 . 0 0 "[ . 1 . 2]" 1
1443 1 113 GLN HA 1 113 GLN QG . . 3.500 3.041 2.912 3.127 . 0 0 "[ . 1 . 2]" 1
1444 1 113 GLN QB 1 113 GLN QE . . 3.800 3.133 2.182 3.738 . 0 0 "[ . 1 . 2]" 1
1445 1 113 GLN QB 1 114 TYR H . . 3.440 2.379 2.353 2.405 . 0 0 "[ . 1 . 2]" 1
1446 1 113 GLN QE 1 113 GLN QG . . 3.090 2.168 2.066 2.448 . 0 0 "[ . 1 . 2]" 1
1447 1 113 GLN QG 1 114 TYR H . . 4.170 3.817 3.738 3.956 . 0 0 "[ . 1 . 2]" 1
1448 1 114 TYR HA 1 117 TYR QB . . 3.460 2.841 2.676 3.181 . 0 0 "[ . 1 . 2]" 1
1449 1 114 TYR HD1 1 117 TYR QB . . 4.580 4.156 3.978 4.443 . 0 0 "[ . 1 . 2]" 1
1450 1 116 ALA HA 1 119 LYS QB . . 3.760 2.955 2.356 3.637 . 0 0 "[ . 1 . 2]" 1
1451 1 116 ALA MB 1 117 TYR QB . . 4.350 3.816 3.707 3.913 . 0 0 "[ . 1 . 2]" 1
1452 1 117 TYR QB 1 118 PHE H . . 3.760 2.548 2.166 2.922 . 0 0 "[ . 1 . 2]" 1
1453 1 117 TYR QB 1 119 LYS H . . 5.130 4.523 4.282 4.715 . 0 0 "[ . 1 . 2]" 1
1454 1 118 PHE H 1 118 PHE QB . . 3.220 2.219 2.102 2.382 . 0 0 "[ . 1 . 2]" 1
1455 1 118 PHE QB 1 118 PHE HD2 . . 3.260 2.264 2.249 2.329 . 0 0 "[ . 1 . 2]" 1
1456 1 119 LYS H 1 119 LYS QB . . 3.520 2.259 2.135 2.497 . 0 0 "[ . 1 . 2]" 1
1457 1 119 LYS HA 1 119 LYS QG . . 3.740 2.598 2.200 3.434 . 0 0 "[ . 1 . 2]" 1
1458 1 119 LYS QB 1 120 LEU H . . 4.030 3.318 2.229 3.785 . 0 0 "[ . 1 . 2]" 1
1459 1 119 LYS QG 1 120 LEU H . . 4.780 2.760 1.973 4.166 . 0 0 "[ . 1 . 2]" 1
1460 1 120 LEU H 1 120 LEU QB . . 2.930 2.262 2.123 2.866 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 1642
_Distance_constraint_stats_list.Viol_total 5656.743
_Distance_constraint_stats_list.Viol_max 0.308
_Distance_constraint_stats_list.Viol_rms 0.0797
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1684
_Distance_constraint_stats_list.Viol_average_violations_only 0.1723
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 VAL 8.317 0.276 10 0 "[ . 1 . 2]"
1 8 THR 9.322 0.291 4 0 "[ . 1 . 2]"
1 9 ILE 9.715 0.273 6 0 "[ . 1 . 2]"
1 10 TYR 3.916 0.258 8 0 "[ . 1 . 2]"
1 11 GLY 15.051 0.305 7 0 "[ . 1 . 2]"
1 17 THR 9.335 0.292 11 0 "[ . 1 . 2]"
1 18 MET 5.003 0.269 1 0 "[ . 1 . 2]"
1 19 LYS 8.840 0.290 17 0 "[ . 1 . 2]"
1 20 LYS 7.195 0.254 1 0 "[ . 1 . 2]"
1 21 ALA 18.257 0.293 10 0 "[ . 1 . 2]"
1 22 ARG 9.544 0.274 6 0 "[ . 1 . 2]"
1 23 ILE 13.738 0.290 17 0 "[ . 1 . 2]"
1 24 TRP 16.308 0.279 17 0 "[ . 1 . 2]"
1 25 LEU 16.296 0.307 17 0 "[ . 1 . 2]"
1 26 GLU 4.541 0.274 6 0 "[ . 1 . 2]"
1 27 ASP 4.898 0.282 17 0 "[ . 1 . 2]"
1 28 HIS 9.113 0.279 17 0 "[ . 1 . 2]"
1 30 ILE 7.374 0.307 17 0 "[ . 1 . 2]"
1 33 THR 11.857 0.276 10 0 "[ . 1 . 2]"
1 35 HIS 13.404 0.302 19 0 "[ . 1 . 2]"
1 37 TYR 7.822 0.305 7 0 "[ . 1 . 2]"
1 43 ASP 8.592 0.284 15 0 "[ . 1 . 2]"
1 44 ALA 3.897 0.267 4 0 "[ . 1 . 2]"
1 45 GLU 9.044 0.285 19 0 "[ . 1 . 2]"
1 46 THR 7.040 0.255 17 0 "[ . 1 . 2]"
1 47 LEU 14.891 0.284 15 0 "[ . 1 . 2]"
1 48 ASP 11.689 0.275 5 0 "[ . 1 . 2]"
1 49 ARG 9.044 0.285 19 0 "[ . 1 . 2]"
1 50 PHE 11.458 0.255 17 0 "[ . 1 . 2]"
1 51 LEU 6.299 0.228 8 0 "[ . 1 . 2]"
1 52 LYS 7.792 0.275 5 0 "[ . 1 . 2]"
1 54 VAL 4.418 0.210 1 0 "[ . 1 . 2]"
1 55 PRO 5.689 0.217 1 0 "[ . 1 . 2]"
1 58 GLN 5.689 0.217 1 0 "[ . 1 . 2]"
1 59 LEU 4.334 0.251 9 0 "[ . 1 . 2]"
1 79 ASP 4.773 0.274 1 0 "[ . 1 . 2]"
1 80 ALA 6.394 0.294 14 0 "[ . 1 . 2]"
1 81 ALA 9.060 0.289 12 0 "[ . 1 . 2]"
1 82 SER 2.458 0.203 1 0 "[ . 1 . 2]"
1 83 ALA 13.652 0.298 15 0 "[ . 1 . 2]"
1 84 ARG 13.315 0.294 14 0 "[ . 1 . 2]"
1 85 GLU 18.685 0.298 15 0 "[ . 1 . 2]"
1 86 LEU 4.663 0.205 6 0 "[ . 1 . 2]"
1 87 MET 8.879 0.298 15 0 "[ . 1 . 2]"
1 88 LEU 6.921 0.259 1 0 "[ . 1 . 2]"
1 89 ALA 9.625 0.298 15 0 "[ . 1 . 2]"
1 90 GLN 2.205 0.205 6 0 "[ . 1 . 2]"
1 91 PRO 6.125 0.308 13 0 "[ . 1 . 2]"
1 94 VAL 6.125 0.308 13 0 "[ . 1 . 2]"
1 95 LYS 4.334 0.251 9 0 "[ . 1 . 2]"
1 97 PRO 5.285 0.221 12 0 "[ . 1 . 2]"
1 98 VAL 3.916 0.258 8 0 "[ . 1 . 2]"
1 99 LEU 12.919 0.290 11 0 "[ . 1 . 2]"
1 100 GLU 9.322 0.291 4 0 "[ . 1 . 2]"
1 106 MET 12.919 0.290 11 0 "[ . 1 . 2]"
1 108 GLY 5.285 0.221 12 0 "[ . 1 . 2]"
1 110 LYS 10.429 0.306 12 0 "[ . 1 . 2]"
1 111 PRO 9.175 0.282 9 0 "[ . 1 . 2]"
1 112 ALA 9.227 0.275 11 0 "[ . 1 . 2]"
1 113 GLN 3.288 0.188 6 0 "[ . 1 . 2]"
1 114 TYR 17.857 0.306 12 0 "[ . 1 . 2]"
1 115 GLU 9.175 0.282 9 0 "[ . 1 . 2]"
1 116 ALA 9.227 0.275 11 0 "[ . 1 . 2]"
1 117 TYR 3.288 0.188 6 0 "[ . 1 . 2]"
1 118 PHE 7.428 0.271 10 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 17 THR O 1 21 ALA H . . 1.800 2.004 1.970 2.032 0.232 13 0 "[ . 1 . 2]" 2
2 1 17 THR O 1 21 ALA N . . 2.700 2.962 2.869 2.992 0.292 11 0 "[ . 1 . 2]" 2
3 1 18 MET O 1 22 ARG H . . 1.800 1.898 1.798 2.001 0.201 6 0 "[ . 1 . 2]" 2
4 1 18 MET O 1 22 ARG N . . 2.700 2.852 2.745 2.969 0.269 1 0 "[ . 1 . 2]" 2
5 1 19 LYS O 1 23 ILE H . . 1.800 1.989 1.811 2.026 0.226 1 0 "[ . 1 . 2]" 2
6 1 19 LYS O 1 23 ILE N . . 2.700 2.953 2.786 2.990 0.290 17 0 "[ . 1 . 2]" 2
7 1 20 LYS O 1 24 TRP H . . 1.800 1.990 1.937 2.018 0.218 1 0 "[ . 1 . 2]" 2
8 1 20 LYS O 1 24 TRP N . . 2.700 2.870 2.803 2.954 0.254 1 0 "[ . 1 . 2]" 2
9 1 21 ALA O 1 25 LEU H . . 1.800 1.991 1.915 2.017 0.217 10 0 "[ . 1 . 2]" 2
10 1 21 ALA O 1 25 LEU N . . 2.700 2.955 2.878 2.993 0.293 10 0 "[ . 1 . 2]" 2
11 1 22 ARG O 1 26 GLU H . . 1.800 1.890 1.798 2.001 0.201 6 0 "[ . 1 . 2]" 2
12 1 22 ARG O 1 26 GLU N . . 2.700 2.837 2.744 2.974 0.274 6 0 "[ . 1 . 2]" 2
13 1 23 ILE O 1 27 ASP H . . 1.800 1.940 1.824 2.082 0.282 17 0 "[ . 1 . 2]" 2
14 1 23 ILE O 1 27 ASP N . . 2.700 2.805 2.747 2.915 0.215 13 0 "[ . 1 . 2]" 2
15 1 24 TRP O 1 28 HIS H . . 1.800 2.008 1.995 2.052 0.252 17 0 "[ . 1 . 2]" 2
16 1 24 TRP O 1 28 HIS N . . 2.700 2.948 2.903 2.979 0.279 17 0 "[ . 1 . 2]" 2
17 1 43 ASP O 1 47 LEU H . . 1.800 1.978 1.858 2.005 0.205 15 0 "[ . 1 . 2]" 2
18 1 43 ASP O 1 47 LEU N . . 2.700 2.952 2.833 2.984 0.284 15 0 "[ . 1 . 2]" 2
19 1 44 ALA O 1 48 ASP H . . 1.800 1.868 1.797 2.001 0.201 7 0 "[ . 1 . 2]" 2
20 1 44 ALA O 1 48 ASP N . . 2.700 2.827 2.749 2.967 0.267 4 0 "[ . 1 . 2]" 2
21 1 45 GLU O 1 49 ARG H . . 1.800 2.003 1.998 2.018 0.218 8 0 "[ . 1 . 2]" 2
22 1 45 GLU O 1 49 ARG N . . 2.700 2.949 2.902 2.985 0.285 19 0 "[ . 1 . 2]" 2
23 1 46 THR O 1 50 PHE H . . 1.800 1.971 1.827 2.004 0.204 1 0 "[ . 1 . 2]" 2
24 1 46 THR O 1 50 PHE N . . 2.700 2.881 2.756 2.955 0.255 17 0 "[ . 1 . 2]" 2
25 1 47 LEU O 1 51 LEU H . . 1.800 1.977 1.839 2.005 0.205 8 0 "[ . 1 . 2]" 2
26 1 47 LEU O 1 51 LEU N . . 2.700 2.838 2.750 2.928 0.228 8 0 "[ . 1 . 2]" 2
27 1 48 ASP O 1 52 LYS H . . 1.800 1.991 1.923 2.006 0.206 5 0 "[ . 1 . 2]" 2
28 1 48 ASP O 1 52 LYS N . . 2.700 2.899 2.797 2.975 0.275 5 0 "[ . 1 . 2]" 2
29 1 50 PHE O 1 54 VAL H . . 1.800 1.953 1.870 2.003 0.203 1 0 "[ . 1 . 2]" 2
30 1 50 PHE O 1 54 VAL N . . 2.700 2.767 2.748 2.910 0.210 1 0 "[ . 1 . 2]" 2
31 1 79 ASP O 1 83 ALA H . . 1.800 1.910 1.798 2.004 0.204 1 0 "[ . 1 . 2]" 2
32 1 79 ASP O 1 83 ALA N . . 2.700 2.829 2.748 2.974 0.274 1 0 "[ . 1 . 2]" 2
33 1 80 ALA O 1 84 ARG H . . 1.800 1.930 1.798 2.027 0.227 19 0 "[ . 1 . 2]" 2
34 1 80 ALA O 1 84 ARG N . . 2.700 2.890 2.749 2.994 0.294 14 0 "[ . 1 . 2]" 2
35 1 81 ALA O 1 85 GLU H . . 1.800 2.010 2.002 2.026 0.226 12 0 "[ . 1 . 2]" 2
36 1 81 ALA O 1 85 GLU N . . 2.700 2.943 2.887 2.989 0.289 12 0 "[ . 1 . 2]" 2
37 1 82 SER O 1 86 LEU H . . 1.800 1.838 1.796 2.003 0.203 1 0 "[ . 1 . 2]" 2
38 1 82 SER O 1 86 LEU N . . 2.700 2.784 2.745 2.891 0.191 2 0 "[ . 1 . 2]" 2
39 1 83 ALA O 1 87 MET H . . 1.800 1.991 1.849 2.032 0.232 15 0 "[ . 1 . 2]" 2
40 1 83 ALA O 1 87 MET N . . 2.700 2.953 2.775 2.998 0.298 15 0 "[ . 1 . 2]" 2
41 1 84 ARG O 1 88 LEU H . . 1.800 2.005 1.934 2.024 0.224 14 0 "[ . 1 . 2]" 2
42 1 84 ARG O 1 88 LEU N . . 2.700 2.841 2.757 2.959 0.259 1 0 "[ . 1 . 2]" 2
43 1 85 GLU O 1 89 ALA H . . 1.800 2.012 2.002 2.027 0.227 14 0 "[ . 1 . 2]" 2
44 1 85 GLU O 1 89 ALA N . . 2.700 2.969 2.862 2.998 0.298 15 0 "[ . 1 . 2]" 2
45 1 86 LEU O 1 90 GLN H . . 1.800 1.865 1.794 2.005 0.205 6 0 "[ . 1 . 2]" 2
46 1 86 LEU O 1 90 GLN N . . 2.700 2.744 2.732 2.760 0.060 14 0 "[ . 1 . 2]" 2
47 1 110 LYS O 1 114 TYR H . . 1.800 2.041 2.023 2.070 0.270 12 0 "[ . 1 . 2]" 2
48 1 110 LYS O 1 114 TYR N . . 2.700 2.980 2.962 3.006 0.306 12 0 "[ . 1 . 2]" 2
49 1 111 PRO O 1 115 GLU H . . 1.800 2.006 2.001 2.014 0.214 9 0 "[ . 1 . 2]" 2
50 1 111 PRO O 1 115 GLU N . . 2.700 2.953 2.930 2.982 0.282 9 0 "[ . 1 . 2]" 2
51 1 112 ALA O 1 116 ALA H . . 1.800 2.014 2.007 2.027 0.227 12 0 "[ . 1 . 2]" 2
52 1 112 ALA O 1 116 ALA N . . 2.700 2.948 2.929 2.975 0.275 11 0 "[ . 1 . 2]" 2
53 1 113 GLN O 1 117 TYR H . . 1.800 1.911 1.797 1.988 0.188 6 0 "[ . 1 . 2]" 2
54 1 113 GLN O 1 117 TYR N . . 2.700 2.753 2.744 2.771 0.071 12 0 "[ . 1 . 2]" 2
55 1 114 TYR O 1 118 PHE H . . 1.800 1.987 1.894 2.012 0.212 12 0 "[ . 1 . 2]" 2
56 1 114 TYR O 1 118 PHE N . . 2.700 2.884 2.795 2.971 0.271 10 0 "[ . 1 . 2]" 2
57 1 7 VAL O 1 33 THR H . . 1.800 1.982 1.905 2.015 0.215 11 0 "[ . 1 . 2]" 2
58 1 7 VAL O 1 33 THR N . . 2.700 2.933 2.866 2.976 0.276 10 0 "[ . 1 . 2]" 2
59 1 9 ILE O 1 35 HIS H . . 1.800 2.001 1.930 2.026 0.226 17 0 "[ . 1 . 2]" 2
60 1 9 ILE O 1 35 HIS N . . 2.700 2.807 2.743 2.863 0.163 18 0 "[ . 1 . 2]" 2
61 1 9 ILE H 1 33 THR O . . 1.800 1.867 1.794 2.005 0.205 7 0 "[ . 1 . 2]" 2
62 1 9 ILE N 1 33 THR O . . 2.700 2.810 2.743 2.973 0.273 6 0 "[ . 1 . 2]" 2
63 1 11 GLY H 1 35 HIS O . . 1.800 1.999 1.835 2.056 0.256 19 0 "[ . 1 . 2]" 2
64 1 11 GLY N 1 35 HIS O . . 2.700 2.863 2.740 3.002 0.302 19 0 "[ . 1 . 2]" 2
65 1 10 TYR H 1 98 VAL O . . 1.800 1.873 1.796 2.010 0.210 5 0 "[ . 1 . 2]" 2
66 1 10 TYR N 1 98 VAL O . . 2.700 2.822 2.748 2.958 0.258 8 0 "[ . 1 . 2]" 2
67 1 99 LEU O 1 106 MET H . . 1.800 1.942 1.822 2.006 0.206 1 0 "[ . 1 . 2]" 2
68 1 99 LEU O 1 106 MET N . . 2.700 2.810 2.746 2.928 0.228 18 0 "[ . 1 . 2]" 2
69 1 99 LEU H 1 106 MET O . . 1.800 1.964 1.798 2.018 0.218 11 0 "[ . 1 . 2]" 2
70 1 99 LEU N 1 106 MET O . . 2.700 2.931 2.761 2.990 0.290 11 0 "[ . 1 . 2]" 2
71 1 8 THR O 1 100 GLU H . . 1.800 2.001 1.957 2.013 0.213 8 0 "[ . 1 . 2]" 2
72 1 8 THR O 1 100 GLU N . . 2.700 2.965 2.886 2.991 0.291 4 0 "[ . 1 . 2]" 2
73 1 25 LEU O 1 30 ILE H . . 1.800 1.972 1.833 2.033 0.233 17 0 "[ . 1 . 2]" 2
74 1 25 LEU O 1 30 ILE N . . 2.700 2.896 2.746 3.007 0.307 17 0 "[ . 1 . 2]" 2
75 1 91 PRO O 1 94 VAL H . . 1.800 1.959 1.866 2.071 0.271 10 0 "[ . 1 . 2]" 2
76 1 91 PRO O 1 94 VAL N . . 2.700 2.848 2.746 3.008 0.308 13 0 "[ . 1 . 2]" 2
77 1 11 GLY O 1 37 TYR H . . 1.800 2.006 1.916 2.072 0.272 7 0 "[ . 1 . 2]" 2
78 1 11 GLY O 1 37 TYR N . . 2.700 2.885 2.766 3.005 0.305 7 0 "[ . 1 . 2]" 2
79 1 55 PRO O 1 58 GLN H . . 1.800 1.962 1.891 2.017 0.217 1 0 "[ . 1 . 2]" 2
80 1 55 PRO O 1 58 GLN N . . 2.700 2.823 2.758 2.894 0.194 3 0 "[ . 1 . 2]" 2
81 1 59 LEU O 1 95 LYS H . . 1.800 1.882 1.797 2.015 0.215 12 0 "[ . 1 . 2]" 2
82 1 59 LEU O 1 95 LYS N . . 2.700 2.834 2.756 2.951 0.251 9 0 "[ . 1 . 2]" 2
83 1 97 PRO O 1 108 GLY H . . 1.800 2.002 1.959 2.021 0.221 12 0 "[ . 1 . 2]" 2
84 1 97 PRO O 1 108 GLY N . . 2.700 2.762 2.743 2.895 0.195 15 0 "[ . 1 . 2]" 2
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