Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572288 | 2mj7 RC | 19709 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mj7
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 1590
_Distance_constraint_stats_list.Viol_count 521
_Distance_constraint_stats_list.Viol_total 842.916
_Distance_constraint_stats_list.Viol_max 0.920
_Distance_constraint_stats_list.Viol_rms 0.0144
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0809
_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 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.211 0.211 10 0 "[ . 1 . 2]"
1 14 LEU 0.865 0.211 10 0 "[ . 1 . 2]"
1 15 PRO 0.766 0.112 13 0 "[ . 1 . 2]"
1 16 ASP 0.112 0.112 13 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.083 0.083 20 0 "[ . 1 . 2]"
1 19 ALA 0.083 0.083 20 0 "[ . 1 . 2]"
1 20 LEU 0.070 0.056 6 0 "[ . 1 . 2]"
1 21 MET 0.614 0.138 16 0 "[ . 1 . 2]"
1 22 LEU 0.009 0.009 16 0 "[ . 1 . 2]"
1 23 VAL 1.846 0.203 16 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASN 0.044 0.036 13 0 "[ . 1 . 2]"
1 26 ARG 1.703 0.310 10 0 "[ . 1 . 2]"
1 27 GLN 0.159 0.071 10 0 "[ . 1 . 2]"
1 28 LEU 1.970 0.183 10 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.883 0.228 5 0 "[ . 1 . 2]"
1 31 ASP 0.095 0.066 3 0 "[ . 1 . 2]"
1 32 TYR 1.039 0.224 13 0 "[ . 1 . 2]"
1 33 PHE 2.544 0.184 19 0 "[ . 1 . 2]"
1 34 GLU 0.272 0.154 19 0 "[ . 1 . 2]"
1 35 LYS 0.755 0.224 13 0 "[ . 1 . 2]"
1 36 THR 0.007 0.007 10 0 "[ . 1 . 2]"
1 37 TRP 0.341 0.120 2 0 "[ . 1 . 2]"
1 38 LEU 0.360 0.154 19 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 2.756 0.444 20 0 "[ . 1 . 2]"
1 41 LYS 0.824 0.390 5 0 "[ . 1 . 2]"
1 42 VAL 1.253 0.174 17 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.806 0.102 10 0 "[ . 1 . 2]"
1 45 GLN 0.619 0.145 4 0 "[ . 1 . 2]"
1 46 GLN 0.301 0.145 4 0 "[ . 1 . 2]"
1 47 VAL 0.224 0.075 2 0 "[ . 1 . 2]"
1 48 LEU 3.459 0.255 20 0 "[ . 1 . 2]"
1 49 PRO 3.028 0.255 20 0 "[ . 1 . 2]"
1 50 TRP 1.323 0.128 17 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.933 0.372 19 0 "[ . 1 . 2]"
1 54 PHE 0.053 0.053 2 0 "[ . 1 . 2]"
1 55 HIS 0.363 0.118 7 0 "[ . 1 . 2]"
1 56 PRO 0.086 0.060 11 0 "[ . 1 . 2]"
1 57 ASP 0.041 0.041 20 0 "[ . 1 . 2]"
1 58 THR 0.091 0.079 15 0 "[ . 1 . 2]"
1 59 LEU 0.087 0.087 15 0 "[ . 1 . 2]"
1 60 GLN 1.409 0.131 5 0 "[ . 1 . 2]"
1 61 MET 0.888 0.131 5 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLN 0.053 0.032 9 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.053 0.032 9 0 "[ . 1 . 2]"
1 69 GLN 0.898 0.139 6 0 "[ . 1 . 2]"
1 70 THR 0.527 0.124 8 0 "[ . 1 . 2]"
1 71 ILE 1.290 0.228 5 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 MET 0.631 0.087 4 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.045 0.025 3 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TRP 0.529 0.087 4 0 "[ . 1 . 2]"
1 82 LYS 0.390 0.079 8 0 "[ . 1 . 2]"
1 83 ALA 0.342 0.084 18 0 "[ . 1 . 2]"
1 84 TYR 0.780 0.176 11 0 "[ . 1 . 2]"
1 85 LEU 0.227 0.096 16 0 "[ . 1 . 2]"
1 86 SER 0.840 0.166 4 0 "[ . 1 . 2]"
1 87 ALA 0.097 0.053 14 0 "[ . 1 . 2]"
1 88 GLN 0.604 0.137 2 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASP 0.999 0.203 16 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LEU 4.689 0.213 1 0 "[ . 1 . 2]"
1 95 PHE 0.617 0.140 19 0 "[ . 1 . 2]"
1 96 LEU 4.416 0.213 1 0 "[ . 1 . 2]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.657 0.176 11 0 "[ . 1 . 2]"
1 99 LEU 0.125 0.072 11 0 "[ . 1 . 2]"
1 100 LEU 1.328 0.152 17 0 "[ . 1 . 2]"
1 101 LEU 1.695 0.305 4 0 "[ . 1 . 2]"
1 102 GLU 0.252 0.061 14 0 "[ . 1 . 2]"
1 103 PRO 0.041 0.041 5 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASN 0.736 0.321 18 0 "[ . 1 . 2]"
1 106 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLU 0.848 0.321 18 0 "[ . 1 . 2]"
1 108 MET 2.960 0.305 4 0 "[ . 1 . 2]"
1 109 GLN 0.685 0.092 7 0 "[ . 1 . 2]"
1 110 ILE 0.331 0.123 14 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 VAL 0.190 0.154 12 0 "[ . 1 . 2]"
1 113 LYS 2.370 0.444 20 0 "[ . 1 . 2]"
1 114 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ASN 1.382 0.170 7 0 "[ . 1 . 2]"
1 116 GLU 0.034 0.034 15 0 "[ . 1 . 2]"
1 117 ALA 0.034 0.034 15 0 "[ . 1 . 2]"
1 118 ARG 2.241 0.285 8 0 "[ . 1 . 2]"
1 119 THR 0.201 0.101 4 0 "[ . 1 . 2]"
1 120 GLU 2.529 0.285 8 0 "[ . 1 . 2]"
1 121 THR 0.434 0.152 20 0 "[ . 1 . 2]"
1 122 LEU 0.842 0.102 10 0 "[ . 1 . 2]"
1 123 ASN 0.692 0.261 9 0 "[ . 1 . 2]"
1 124 SER 0.056 0.056 6 0 "[ . 1 . 2]"
1 125 PHE 0.088 0.071 15 0 "[ . 1 . 2]"
1 126 ILE 0.036 0.036 6 0 "[ . 1 . 2]"
1 127 SER 0.004 0.004 8 0 "[ . 1 . 2]"
1 128 VAL 0.004 0.004 8 0 "[ . 1 . 2]"
1 129 LEU 1.576 0.196 9 0 "[ . 1 . 2]"
1 130 GLU 0.680 0.112 13 0 "[ . 1 . 2]"
1 131 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 VAL 0.182 0.164 12 0 "[ . 1 . 2]"
1 133 ILE 2.066 0.200 2 0 "[ . 1 . 2]"
1 134 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 THR 0.195 0.164 12 0 "[ . 1 . 2]"
1 136 ILE 1.647 0.920 5 1 "[ + 1 . 2]"
1 137 GLU 1.364 0.920 5 1 "[ + 1 . 2]"
1 138 GLU 0.075 0.045 10 0 "[ . 1 . 2]"
1 139 ILE 0.344 0.115 12 0 "[ . 1 . 2]"
1 140 LYS 0.062 0.062 5 0 "[ . 1 . 2]"
1 141 SER 0.000 0.000 . 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 12 GLN H 1 12 GLN QG 4.990 . 4.990 3.237 2.024 4.228 . 0 0 "[ . 1 . 2]" 1
2 1 14 LEU H 1 14 LEU MD1 5.430 . 5.430 2.298 1.988 4.381 . 0 0 "[ . 1 . 2]" 1
3 1 14 LEU H 1 14 LEU MD2 5.780 . 5.780 4.184 3.942 4.793 . 0 0 "[ . 1 . 2]" 1
4 1 13 GLU HA 1 14 LEU H 3.600 . 3.600 2.289 2.124 2.609 . 0 0 "[ . 1 . 2]" 1
5 1 15 PRO HA 1 16 ASP H 3.430 . 3.430 2.352 2.152 3.542 0.112 13 0 "[ . 1 . 2]" 1
6 1 16 ASP HB2 1 17 SER H 5.780 . 5.780 3.921 2.034 4.600 . 0 0 "[ . 1 . 2]" 1
7 1 16 ASP HB3 1 17 SER H 5.780 . 5.780 3.702 2.017 4.522 . 0 0 "[ . 1 . 2]" 1
8 1 19 ALA H 1 19 ALA MB 3.530 . 3.530 2.506 2.233 2.863 . 0 0 "[ . 1 . 2]" 1
9 1 20 LEU H 1 20 LEU MD1 5.010 . 5.010 4.186 4.059 4.389 . 0 0 "[ . 1 . 2]" 1
10 1 20 LEU H 1 20 LEU HB2 4.160 . 4.160 2.595 2.418 2.895 . 0 0 "[ . 1 . 2]" 1
11 1 20 LEU H 1 20 LEU HB3 4.160 . 4.160 2.534 2.417 2.638 . 0 0 "[ . 1 . 2]" 1
12 1 22 LEU H 1 22 LEU MD2 5.010 . 5.010 3.564 3.340 4.013 . 0 0 "[ . 1 . 2]" 1
13 1 22 LEU H 1 22 LEU MD1 5.230 . 5.230 3.609 3.442 3.895 . 0 0 "[ . 1 . 2]" 1
14 1 22 LEU H 1 22 LEU HG 5.130 . 5.130 2.453 2.253 3.055 . 0 0 "[ . 1 . 2]" 1
15 1 49 PRO HB3 1 50 TRP H 4.680 . 4.680 4.206 3.591 4.487 . 0 0 "[ . 1 . 2]" 1
16 1 21 MET HA 1 22 LEU H 3.540 . 3.540 2.214 2.147 2.277 . 0 0 "[ . 1 . 2]" 1
17 1 50 TRP H 1 51 ARG H 5.020 . 5.020 4.443 4.112 4.664 . 0 0 "[ . 1 . 2]" 1
18 1 50 TRP H 1 108 MET H 4.950 . 4.950 3.545 2.822 4.646 . 0 0 "[ . 1 . 2]" 1
19 1 23 VAL H 1 89 ASP HA 5.310 . 5.310 2.403 2.020 3.048 . 0 0 "[ . 1 . 2]" 1
20 1 23 VAL MG2 1 25 ASN H 5.030 . 5.030 3.567 2.320 4.715 . 0 0 "[ . 1 . 2]" 1
21 1 24 PRO QD 1 25 ASN H 5.220 . 5.220 4.020 2.366 4.856 . 0 0 "[ . 1 . 2]" 1
22 1 24 PRO HA 1 25 ASN H 3.730 . 3.730 2.647 2.160 3.599 . 0 0 "[ . 1 . 2]" 1
23 1 42 VAL H 1 42 VAL HB 3.790 . 3.790 2.585 2.507 2.628 . 0 0 "[ . 1 . 2]" 1
24 1 41 LYS QG 1 42 VAL H 5.080 . 5.080 4.086 2.469 4.536 . 0 0 "[ . 1 . 2]" 1
25 1 25 ASN HB2 1 26 ARG H 5.280 . 5.280 3.342 1.994 4.076 . 0 0 "[ . 1 . 2]" 1
26 1 26 ARG H 1 26 ARG HD2 5.780 . 5.780 4.184 2.174 5.029 . 0 0 "[ . 1 . 2]" 1
27 1 26 ARG H 1 26 ARG HD3 5.780 . 5.780 3.945 1.964 4.938 . 0 0 "[ . 1 . 2]" 1
28 1 26 ARG HB3 1 27 GLN H 5.010 . 5.010 3.285 2.464 3.710 . 0 0 "[ . 1 . 2]" 1
29 1 26 ARG HB2 1 27 GLN H 5.010 . 5.010 4.222 3.670 4.495 . 0 0 "[ . 1 . 2]" 1
30 1 27 GLN H 1 27 GLN HB2 4.340 . 4.340 3.158 2.339 3.675 . 0 0 "[ . 1 . 2]" 1
31 1 27 GLN H 1 27 GLN QG 4.170 . 4.170 2.445 1.908 4.010 . 0 0 "[ . 1 . 2]" 1
32 1 26 ARG HA 1 27 GLN H 3.530 . 3.530 2.192 2.087 2.365 . 0 0 "[ . 1 . 2]" 1
33 1 28 LEU H 1 71 ILE MD 4.900 . 4.900 2.917 2.107 3.682 . 0 0 "[ . 1 . 2]" 1
34 1 28 LEU H 1 28 LEU HG 4.420 . 4.420 2.333 2.158 2.991 . 0 0 "[ . 1 . 2]" 1
35 1 27 GLN HB3 1 28 LEU H 5.020 . 5.020 4.080 3.218 4.468 . 0 0 "[ . 1 . 2]" 1
36 1 28 LEU H 1 69 GLN HE22 4.700 . 4.700 2.739 1.622 4.817 0.117 14 0 "[ . 1 . 2]" 1
37 1 28 LEU H 1 69 GLN HE21 4.940 . 4.940 3.430 2.474 5.004 0.064 3 0 "[ . 1 . 2]" 1
38 1 28 LEU HB3 1 29 THR H 4.560 . 4.560 3.120 2.897 3.330 . 0 0 "[ . 1 . 2]" 1
39 1 29 THR H 1 32 TYR HB2 5.010 . 5.010 3.370 2.909 3.794 . 0 0 "[ . 1 . 2]" 1
40 1 29 THR H 1 32 TYR HB3 5.010 . 5.010 2.673 2.476 2.919 . 0 0 "[ . 1 . 2]" 1
41 1 28 LEU HA 1 29 THR H 3.650 . 3.650 2.215 2.150 2.306 . 0 0 "[ . 1 . 2]" 1
42 1 30 ALA H 1 71 ILE MG 5.030 . 5.030 3.552 3.205 4.321 . 0 0 "[ . 1 . 2]" 1
43 1 30 ALA H 1 30 ALA MB 3.580 . 3.580 2.251 2.233 2.278 . 0 0 "[ . 1 . 2]" 1
44 1 29 THR HA 1 30 ALA H 3.700 . 3.700 2.367 2.316 2.443 . 0 0 "[ . 1 . 2]" 1
45 1 30 ALA MB 1 31 ASP H 3.750 . 3.750 2.708 2.559 2.804 . 0 0 "[ . 1 . 2]" 1
46 1 31 ASP H 1 31 ASP QB 3.550 . 3.550 2.459 2.286 2.560 . 0 0 "[ . 1 . 2]" 1
47 1 29 THR HA 1 31 ASP H 5.250 . 5.250 4.227 4.039 4.349 . 0 0 "[ . 1 . 2]" 1
48 1 29 THR HB 1 30 ALA H 4.030 . 4.030 2.668 2.479 2.839 . 0 0 "[ . 1 . 2]" 1
49 1 29 THR HB 1 31 ASP H 4.200 . 4.200 2.719 2.530 2.946 . 0 0 "[ . 1 . 2]" 1
50 1 31 ASP H 1 32 TYR H 4.030 . 4.030 2.753 2.619 2.838 . 0 0 "[ . 1 . 2]" 1
51 1 30 ALA H 1 31 ASP H 4.260 . 4.260 2.729 2.648 2.814 . 0 0 "[ . 1 . 2]" 1
52 1 30 ALA MB 1 32 TYR H 5.410 . 5.410 4.746 4.680 4.837 . 0 0 "[ . 1 . 2]" 1
53 1 31 ASP QB 1 32 TYR H 4.150 . 4.150 2.513 2.369 2.718 . 0 0 "[ . 1 . 2]" 1
54 1 32 TYR H 1 32 TYR HB2 3.910 . 3.910 2.612 2.484 2.765 . 0 0 "[ . 1 . 2]" 1
55 1 32 TYR H 1 32 TYR HB3 3.910 . 3.910 2.584 2.478 2.704 . 0 0 "[ . 1 . 2]" 1
56 1 29 THR HB 1 32 TYR H 5.120 . 5.120 3.441 3.310 3.634 . 0 0 "[ . 1 . 2]" 1
57 1 32 TYR H 1 33 PHE H 4.010 . 4.010 2.620 2.586 2.670 . 0 0 "[ . 1 . 2]" 1
58 1 33 PHE H 1 33 PHE HB2 4.030 . 4.030 2.494 2.368 2.599 . 0 0 "[ . 1 . 2]" 1
59 1 32 TYR HB2 1 33 PHE H 4.800 . 4.800 3.823 3.673 4.012 . 0 0 "[ . 1 . 2]" 1
60 1 32 TYR HB3 1 33 PHE H 4.800 . 4.800 2.524 2.351 2.697 . 0 0 "[ . 1 . 2]" 1
61 1 33 PHE H 1 33 PHE HB3 4.150 . 4.150 2.622 2.449 2.736 . 0 0 "[ . 1 . 2]" 1
62 1 30 ALA HA 1 33 PHE H 4.820 . 4.820 3.628 3.424 3.945 . 0 0 "[ . 1 . 2]" 1
63 1 33 PHE H 1 33 PHE QD 4.890 . 4.890 4.249 4.202 4.297 . 0 0 "[ . 1 . 2]" 1
64 1 33 PHE H 1 34 GLU H 4.160 . 4.160 2.810 2.700 2.917 . 0 0 "[ . 1 . 2]" 1
65 1 34 GLU H 1 34 GLU HB2 3.960 . 3.960 2.482 2.371 2.597 . 0 0 "[ . 1 . 2]" 1
66 1 34 GLU H 1 34 GLU HB3 3.960 . 3.960 2.609 2.378 3.608 . 0 0 "[ . 1 . 2]" 1
67 1 34 GLU H 1 34 GLU HG3 4.700 . 4.700 4.461 3.850 4.547 . 0 0 "[ . 1 . 2]" 1
68 1 33 PHE HB2 1 34 GLU H 4.660 . 4.660 3.764 3.655 3.960 . 0 0 "[ . 1 . 2]" 1
69 1 33 PHE HB3 1 34 GLU H 4.280 . 4.280 2.433 2.301 2.704 . 0 0 "[ . 1 . 2]" 1
70 1 31 ASP HA 1 34 GLU H 5.080 . 5.080 3.824 3.473 4.176 . 0 0 "[ . 1 . 2]" 1
71 1 33 PHE QD 1 34 GLU H 4.620 . 4.620 3.296 3.018 3.572 . 0 0 "[ . 1 . 2]" 1
72 1 34 GLU H 1 35 LYS H 3.980 . 3.980 2.765 2.638 2.926 . 0 0 "[ . 1 . 2]" 1
73 1 35 LYS H 1 35 LYS HG2 4.880 . 4.880 4.182 3.448 4.658 . 0 0 "[ . 1 . 2]" 1
74 1 35 LYS H 1 35 LYS HG3 4.880 . 4.880 3.833 2.242 4.563 . 0 0 "[ . 1 . 2]" 1
75 1 35 LYS H 1 35 LYS QD 5.330 . 5.330 4.360 3.315 4.830 . 0 0 "[ . 1 . 2]" 1
76 1 35 LYS H 1 35 LYS HB3 4.060 . 4.060 2.863 2.236 3.643 . 0 0 "[ . 1 . 2]" 1
77 1 34 GLU HB2 1 35 LYS H 4.400 . 4.400 3.778 2.499 3.996 . 0 0 "[ . 1 . 2]" 1
78 1 34 GLU HB3 1 35 LYS H 4.400 . 4.400 2.583 2.307 3.209 . 0 0 "[ . 1 . 2]" 1
79 1 34 GLU HG2 1 35 LYS H 5.230 . 5.230 4.035 3.228 4.767 . 0 0 "[ . 1 . 2]" 1
80 1 36 THR H 1 36 THR MG 4.430 . 4.430 3.792 3.775 3.822 . 0 0 "[ . 1 . 2]" 1
81 1 36 THR H 1 36 THR HB 3.860 . 3.860 2.618 2.498 2.731 . 0 0 "[ . 1 . 2]" 1
82 1 36 THR H 1 37 TRP H 4.150 . 4.150 2.582 2.485 2.692 . 0 0 "[ . 1 . 2]" 1
83 1 37 TRP H 1 96 LEU MD1 5.340 . 5.340 3.520 2.787 5.048 . 0 0 "[ . 1 . 2]" 1
84 1 36 THR MG 1 37 TRP H 4.660 . 4.660 3.779 3.576 3.905 . 0 0 "[ . 1 . 2]" 1
85 1 37 TRP H 1 37 TRP HB2 4.180 . 4.180 2.511 2.353 2.590 . 0 0 "[ . 1 . 2]" 1
86 1 37 TRP H 1 37 TRP HB3 4.090 . 4.090 2.500 2.409 2.611 . 0 0 "[ . 1 . 2]" 1
87 1 36 THR HB 1 37 TRP H 4.350 . 4.350 2.768 2.612 2.920 . 0 0 "[ . 1 . 2]" 1
88 1 34 GLU HA 1 37 TRP H 5.000 . 5.000 3.678 3.319 4.044 . 0 0 "[ . 1 . 2]" 1
89 1 37 TRP H 1 38 LEU H 4.290 . 4.290 2.742 2.688 2.786 . 0 0 "[ . 1 . 2]" 1
90 1 37 TRP HE1 1 38 LEU MD2 5.200 . 5.200 3.715 3.350 4.131 . 0 0 "[ . 1 . 2]" 1
91 1 38 LEU H 1 38 LEU MD1 4.430 . 4.430 3.702 3.483 3.823 . 0 0 "[ . 1 . 2]" 1
92 1 38 LEU H 1 38 LEU HB3 4.170 . 4.170 3.611 3.566 3.633 . 0 0 "[ . 1 . 2]" 1
93 1 38 LEU H 1 38 LEU HB2 3.830 . 3.830 2.494 2.435 2.597 . 0 0 "[ . 1 . 2]" 1
94 1 38 LEU H 1 38 LEU HG 3.890 . 3.890 2.354 2.168 2.531 . 0 0 "[ . 1 . 2]" 1
95 1 37 TRP HB3 1 38 LEU H 4.380 . 4.380 2.445 2.352 2.557 . 0 0 "[ . 1 . 2]" 1
96 1 38 LEU MD1 1 39 SER H 5.120 . 5.120 4.914 4.737 5.047 . 0 0 "[ . 1 . 2]" 1
97 1 38 LEU HB3 1 39 SER H 4.730 . 4.730 3.994 3.922 4.101 . 0 0 "[ . 1 . 2]" 1
98 1 38 LEU HB2 1 39 SER H 4.420 . 4.420 3.040 2.903 3.142 . 0 0 "[ . 1 . 2]" 1
99 1 37 TRP HA 1 39 SER H 4.850 . 4.850 4.284 4.171 4.393 . 0 0 "[ . 1 . 2]" 1
100 1 39 SER H 1 39 SER HB3 3.970 . 3.970 2.884 2.499 3.639 . 0 0 "[ . 1 . 2]" 1
101 1 39 SER H 1 39 SER HB2 3.970 . 3.970 2.629 2.464 3.650 . 0 0 "[ . 1 . 2]" 1
102 1 39 SER H 1 40 LEU H 3.780 . 3.780 2.547 2.472 2.624 . 0 0 "[ . 1 . 2]" 1
103 1 38 LEU H 1 39 SER H 3.950 . 3.950 2.536 2.469 2.642 . 0 0 "[ . 1 . 2]" 1
104 1 40 LEU H 1 40 LEU MD1 4.650 . 4.650 3.953 3.772 4.085 . 0 0 "[ . 1 . 2]" 1
105 1 40 LEU H 1 40 LEU MD2 4.240 . 4.240 3.848 3.548 4.114 . 0 0 "[ . 1 . 2]" 1
106 1 40 LEU H 1 40 LEU QB 3.850 . 3.850 2.452 2.361 2.581 . 0 0 "[ . 1 . 2]" 1
107 1 40 LEU H 1 40 LEU HG 4.200 . 4.200 2.991 2.752 3.307 . 0 0 "[ . 1 . 2]" 1
108 1 37 TRP HA 1 40 LEU H 5.100 . 5.100 3.664 3.493 3.824 . 0 0 "[ . 1 . 2]" 1
109 1 39 SER HB3 1 40 LEU H 5.510 . 5.510 3.563 3.120 4.362 . 0 0 "[ . 1 . 2]" 1
110 1 38 LEU HA 1 40 LEU H 5.100 . 5.100 3.938 3.858 4.061 . 0 0 "[ . 1 . 2]" 1
111 1 39 SER HB2 1 40 LEU H 5.510 . 5.510 3.935 3.112 4.355 . 0 0 "[ . 1 . 2]" 1
112 1 40 LEU MD2 1 41 LYS H 4.400 . 4.400 3.344 2.986 3.786 . 0 0 "[ . 1 . 2]" 1
113 1 41 LYS H 1 41 LYS QG 4.060 . 4.060 2.680 1.910 4.048 . 0 0 "[ . 1 . 2]" 1
114 1 40 LEU QB 1 41 LYS H 4.470 . 4.470 2.433 2.297 2.592 . 0 0 "[ . 1 . 2]" 1
115 1 41 LYS H 1 41 LYS HB3 4.290 . 4.290 3.528 2.632 3.807 . 0 0 "[ . 1 . 2]" 1
116 1 41 LYS H 1 41 LYS HB2 4.290 . 4.290 2.806 2.449 3.730 . 0 0 "[ . 1 . 2]" 1
117 1 40 LEU HA 1 41 LYS H 3.630 . 3.630 2.375 2.291 2.447 . 0 0 "[ . 1 . 2]" 1
118 1 40 LEU H 1 41 LYS H 5.350 . 5.350 4.504 4.447 4.545 . 0 0 "[ . 1 . 2]" 1
119 1 42 VAL H 1 42 VAL MG2 3.700 . 3.700 2.073 1.992 2.209 . 0 0 "[ . 1 . 2]" 1
120 1 41 LYS HA 1 42 VAL H 3.680 . 3.680 2.321 2.246 2.380 . 0 0 "[ . 1 . 2]" 1
121 1 42 VAL MG1 1 43 ALA H 4.250 . 4.250 2.866 2.636 2.981 . 0 0 "[ . 1 . 2]" 1
122 1 43 ALA H 1 113 LYS HA 5.120 . 5.120 2.334 1.996 2.702 . 0 0 "[ . 1 . 2]" 1
123 1 44 HIS H 1 112 VAL HB 4.960 . 4.960 3.194 2.779 3.554 . 0 0 "[ . 1 . 2]" 1
124 1 42 VAL HA 1 44 HIS H 5.090 . 5.090 3.987 3.823 4.175 . 0 0 "[ . 1 . 2]" 1
125 1 43 ALA H 1 44 HIS H 4.180 . 4.180 2.338 2.230 2.424 . 0 0 "[ . 1 . 2]" 1
126 1 42 VAL MG1 1 45 GLN H 4.990 . 4.990 3.726 3.467 3.922 . 0 0 "[ . 1 . 2]" 1
127 1 42 VAL MG1 1 45 GLN HE21 4.750 . 4.750 3.853 2.846 4.815 0.065 20 0 "[ . 1 . 2]" 1
128 1 42 VAL MG2 1 45 GLN HE21 5.410 . 5.410 4.465 3.266 5.490 0.080 8 0 "[ . 1 . 2]" 1
129 1 42 VAL MG1 1 45 GLN HE22 4.960 . 4.960 4.314 3.484 5.056 0.096 17 0 "[ . 1 . 2]" 1
130 1 42 VAL MG2 1 45 GLN HE22 5.380 . 5.380 4.385 3.208 5.111 . 0 0 "[ . 1 . 2]" 1
131 1 46 GLN H 1 47 VAL MG2 5.130 . 5.130 4.398 4.041 4.600 . 0 0 "[ . 1 . 2]" 1
132 1 46 GLN H 1 110 ILE HB 4.750 . 4.750 3.031 2.612 3.378 . 0 0 "[ . 1 . 2]" 1
133 1 45 GLN HG2 1 46 GLN H 4.650 . 4.650 3.239 2.875 4.795 0.145 4 0 "[ . 1 . 2]" 1
134 1 45 GLN HG3 1 46 GLN H 4.650 . 4.650 3.240 2.879 3.544 . 0 0 "[ . 1 . 2]" 1
135 1 45 GLN HA 1 46 GLN H 3.460 . 3.460 2.146 2.114 2.197 . 0 0 "[ . 1 . 2]" 1
136 1 46 GLN H 1 111 SER HA 4.670 . 4.670 3.911 3.578 4.129 . 0 0 "[ . 1 . 2]" 1
137 1 46 GLN H 1 110 ILE H 4.410 . 4.410 3.221 2.715 3.550 . 0 0 "[ . 1 . 2]" 1
138 1 47 VAL H 1 47 VAL MG2 3.790 . 3.790 2.515 2.315 2.978 . 0 0 "[ . 1 . 2]" 1
139 1 47 VAL H 1 47 VAL HB 4.130 . 4.130 2.628 2.525 2.809 . 0 0 "[ . 1 . 2]" 1
140 1 46 GLN HA 1 47 VAL H 3.540 . 3.540 2.214 2.141 2.496 . 0 0 "[ . 1 . 2]" 1
141 1 47 VAL HA 1 48 LEU H 3.560 . 3.560 2.200 2.146 2.281 . 0 0 "[ . 1 . 2]" 1
142 1 48 LEU H 1 109 GLN HA 4.890 . 4.890 3.694 3.334 3.988 . 0 0 "[ . 1 . 2]" 1
143 1 51 ARG HB2 1 52 GLY H 5.650 . 5.650 4.070 2.323 4.659 . 0 0 "[ . 1 . 2]" 1
144 1 51 ARG HB3 1 52 GLY H 5.650 . 5.650 3.633 2.233 4.477 . 0 0 "[ . 1 . 2]" 1
145 1 51 ARG H 1 52 GLY H 4.910 . 4.910 4.357 3.979 4.681 . 0 0 "[ . 1 . 2]" 1
146 1 53 GLU H 1 53 GLU QB 3.540 . 3.540 2.711 2.292 3.423 . 0 0 "[ . 1 . 2]" 1
147 1 53 GLU H 1 53 GLU HG3 4.440 . 4.440 3.289 2.092 4.526 0.086 19 0 "[ . 1 . 2]" 1
148 1 53 GLU H 1 53 GLU HG2 4.440 . 4.440 3.276 1.890 4.812 0.372 19 0 "[ . 1 . 2]" 1
149 1 52 GLY H 1 53 GLU H 5.040 . 5.040 4.080 2.376 4.603 . 0 0 "[ . 1 . 2]" 1
150 1 53 GLU QB 1 54 PHE H 4.340 . 4.340 3.324 2.676 3.950 . 0 0 "[ . 1 . 2]" 1
151 1 53 GLU HA 1 54 PHE H 3.730 . 3.730 2.269 2.078 3.010 . 0 0 "[ . 1 . 2]" 1
152 1 54 PHE QD 1 55 HIS H 5.110 . 5.110 3.040 2.474 3.692 . 0 0 "[ . 1 . 2]" 1
153 1 57 ASP H 1 59 LEU H 5.110 . 5.110 4.005 3.773 4.288 . 0 0 "[ . 1 . 2]" 1
154 1 58 THR H 1 61 MET QB 5.320 . 5.320 5.167 5.008 5.318 . 0 0 "[ . 1 . 2]" 1
155 1 57 ASP HB3 1 58 THR H 4.990 . 4.990 3.619 3.457 3.774 . 0 0 "[ . 1 . 2]" 1
156 1 55 HIS HB2 1 58 THR H 5.020 . 5.020 3.775 2.865 4.504 . 0 0 "[ . 1 . 2]" 1
157 1 55 HIS HB3 1 58 THR H 5.020 . 5.020 2.756 2.275 3.249 . 0 0 "[ . 1 . 2]" 1
158 1 58 THR H 1 58 THR HB 3.910 . 3.910 2.602 2.517 2.703 . 0 0 "[ . 1 . 2]" 1
159 1 58 THR H 1 59 LEU H 3.930 . 3.930 2.568 2.515 2.673 . 0 0 "[ . 1 . 2]" 1
160 1 57 ASP H 1 58 THR H 3.990 . 3.990 2.657 2.560 2.732 . 0 0 "[ . 1 . 2]" 1
161 1 59 LEU H 1 59 LEU HB2 4.080 . 4.080 2.510 2.439 2.631 . 0 0 "[ . 1 . 2]" 1
162 1 59 LEU H 1 59 LEU HG 5.380 . 5.380 4.530 4.484 4.583 . 0 0 "[ . 1 . 2]" 1
163 1 59 LEU H 1 59 LEU HB3 4.080 . 4.080 2.527 2.432 2.618 . 0 0 "[ . 1 . 2]" 1
164 1 56 PRO HA 1 59 LEU H 4.880 . 4.880 3.490 3.097 4.008 . 0 0 "[ . 1 . 2]" 1
165 1 58 THR HB 1 59 LEU H 4.300 . 4.300 2.624 2.403 2.804 . 0 0 "[ . 1 . 2]" 1
166 1 59 LEU H 1 61 MET H 5.170 . 5.170 4.352 4.243 4.537 . 0 0 "[ . 1 . 2]" 1
167 1 59 LEU MD1 1 60 GLN H 5.170 . 5.170 4.490 4.375 4.655 . 0 0 "[ . 1 . 2]" 1
168 1 59 LEU HB2 1 60 GLN H 4.960 . 4.960 3.829 3.760 3.922 . 0 0 "[ . 1 . 2]" 1
169 1 59 LEU HB3 1 60 GLN H 4.960 . 4.960 2.489 2.413 2.686 . 0 0 "[ . 1 . 2]" 1
170 1 60 GLN H 1 60 GLN HB2 4.070 . 4.070 2.435 2.075 2.581 . 0 0 "[ . 1 . 2]" 1
171 1 60 GLN H 1 60 GLN HB3 4.070 . 4.070 2.753 2.514 3.645 . 0 0 "[ . 1 . 2]" 1
172 1 60 GLN H 1 60 GLN HG2 5.120 . 5.120 4.347 3.451 4.580 . 0 0 "[ . 1 . 2]" 1
173 1 60 GLN H 1 60 GLN HG3 5.120 . 5.120 4.282 2.443 4.599 . 0 0 "[ . 1 . 2]" 1
174 1 57 ASP HA 1 60 GLN H 5.250 . 5.250 3.589 3.299 3.824 . 0 0 "[ . 1 . 2]" 1
175 1 59 LEU H 1 60 GLN H 4.180 . 4.180 2.770 2.710 2.898 . 0 0 "[ . 1 . 2]" 1
176 1 60 GLN H 1 61 MET H 4.190 . 4.190 2.734 2.624 2.875 . 0 0 "[ . 1 . 2]" 1
177 1 61 MET H 1 62 ALA MB 5.320 . 5.320 4.401 4.339 4.479 . 0 0 "[ . 1 . 2]" 1
178 1 61 MET H 1 61 MET QB 3.560 . 3.560 2.434 2.401 2.500 . 0 0 "[ . 1 . 2]" 1
179 1 60 GLN HB3 1 61 MET H 4.710 . 4.710 2.658 2.398 3.644 . 0 0 "[ . 1 . 2]" 1
180 1 60 GLN HE21 1 70 THR HB 4.950 . 4.950 3.331 1.965 5.074 0.124 8 0 "[ . 1 . 2]" 1
181 1 62 ALA H 1 132 VAL MG1 5.340 . 5.340 4.277 4.023 4.741 . 0 0 "[ . 1 . 2]" 1
182 1 62 ALA H 1 136 ILE MD 5.780 . 5.780 4.320 3.620 5.691 . 0 0 "[ . 1 . 2]" 1
183 1 59 LEU MD1 1 62 ALA H 5.550 . 5.550 4.916 4.717 5.264 . 0 0 "[ . 1 . 2]" 1
184 1 61 MET QB 1 62 ALA H 4.180 . 4.180 2.699 2.505 2.833 . 0 0 "[ . 1 . 2]" 1
185 1 63 LEU H 1 63 LEU MD1 4.440 . 4.440 3.564 3.479 3.692 . 0 0 "[ . 1 . 2]" 1
186 1 62 ALA MB 1 63 LEU H 3.890 . 3.890 2.583 2.448 2.742 . 0 0 "[ . 1 . 2]" 1
187 1 63 LEU H 1 63 LEU HG 4.060 . 4.060 2.358 2.192 2.540 . 0 0 "[ . 1 . 2]" 1
188 1 62 ALA H 1 63 LEU H 3.840 . 3.840 2.577 2.500 2.640 . 0 0 "[ . 1 . 2]" 1
189 1 63 LEU MD1 1 64 GLN H 5.490 . 5.490 4.425 4.343 4.595 . 0 0 "[ . 1 . 2]" 1
190 1 63 LEU MD2 1 64 GLN H 5.780 . 5.780 4.750 4.676 4.819 . 0 0 "[ . 1 . 2]" 1
191 1 63 LEU HB3 1 64 GLN H 5.060 . 5.060 3.492 3.373 3.640 . 0 0 "[ . 1 . 2]" 1
192 1 63 LEU HG 1 64 GLN H 5.440 . 5.440 4.431 4.315 4.589 . 0 0 "[ . 1 . 2]" 1
193 1 63 LEU HB2 1 64 GLN H 5.060 . 5.060 2.520 2.408 2.702 . 0 0 "[ . 1 . 2]" 1
194 1 64 GLN H 1 64 GLN HB2 4.000 . 4.000 2.500 2.197 2.665 . 0 0 "[ . 1 . 2]" 1
195 1 64 GLN H 1 64 GLN HB3 4.000 . 4.000 3.404 2.550 3.664 . 0 0 "[ . 1 . 2]" 1
196 1 61 MET HA 1 64 GLN H 4.680 . 4.680 3.539 3.334 3.805 . 0 0 "[ . 1 . 2]" 1
197 1 64 GLN H 1 65 VAL H 4.040 . 4.040 2.897 2.768 2.957 . 0 0 "[ . 1 . 2]" 1
198 1 63 LEU H 1 64 GLN H 4.050 . 4.050 2.785 2.673 2.860 . 0 0 "[ . 1 . 2]" 1
199 1 65 VAL H 1 66 VAL MG2 5.030 . 5.030 3.881 3.743 3.997 . 0 0 "[ . 1 . 2]" 1
200 1 65 VAL H 1 65 VAL HB 3.610 . 3.610 2.539 2.496 2.591 . 0 0 "[ . 1 . 2]" 1
201 1 64 GLN HG2 1 65 VAL H 5.780 . 5.780 4.961 4.331 5.391 . 0 0 "[ . 1 . 2]" 1
202 1 64 GLN HG3 1 65 VAL H 5.780 . 5.780 4.638 3.954 5.280 . 0 0 "[ . 1 . 2]" 1
203 1 63 LEU HA 1 65 VAL H 5.510 . 5.510 4.334 4.127 4.438 . 0 0 "[ . 1 . 2]" 1
204 1 65 VAL H 1 66 VAL H 4.060 . 4.060 2.616 2.535 2.687 . 0 0 "[ . 1 . 2]" 1
205 1 66 VAL H 1 66 VAL MG2 3.590 . 3.590 2.091 2.011 2.170 . 0 0 "[ . 1 . 2]" 1
206 1 65 VAL MG1 1 66 VAL H 4.550 . 4.550 3.727 3.572 3.869 . 0 0 "[ . 1 . 2]" 1
207 1 65 VAL HB 1 66 VAL H 4.340 . 4.340 2.935 2.736 3.045 . 0 0 "[ . 1 . 2]" 1
208 1 63 LEU HA 1 66 VAL H 5.040 . 5.040 3.504 3.409 3.633 . 0 0 "[ . 1 . 2]" 1
209 1 64 GLN HA 1 66 VAL H 5.590 . 5.590 4.209 4.079 4.359 . 0 0 "[ . 1 . 2]" 1
210 1 66 VAL H 1 67 ASN H 3.850 . 3.850 2.453 2.353 2.583 . 0 0 "[ . 1 . 2]" 1
211 1 66 VAL MG2 1 67 ASN H 4.670 . 4.670 3.402 3.278 3.525 . 0 0 "[ . 1 . 2]" 1
212 1 64 GLN HA 1 67 ASN H 4.750 . 4.750 3.534 3.347 3.763 . 0 0 "[ . 1 . 2]" 1
213 1 66 VAL MG2 1 68 ILE H 4.030 . 4.030 2.773 2.479 3.255 . 0 0 "[ . 1 . 2]" 1
214 1 68 ILE H 1 68 ILE MG 4.630 . 4.630 3.847 3.810 3.885 . 0 0 "[ . 1 . 2]" 1
215 1 68 ILE H 1 68 ILE HB 4.040 . 4.040 2.568 2.474 2.679 . 0 0 "[ . 1 . 2]" 1
216 1 64 GLN HA 1 68 ILE H 4.080 . 4.080 3.564 2.942 4.112 0.032 9 0 "[ . 1 . 2]" 1
217 1 66 VAL H 1 68 ILE H 4.730 . 4.730 3.666 3.530 3.843 . 0 0 "[ . 1 . 2]" 1
218 1 67 ASN H 1 68 ILE H 4.130 . 4.130 2.718 2.630 2.873 . 0 0 "[ . 1 . 2]" 1
219 1 68 ILE MG 1 69 GLN H 4.240 . 4.240 3.074 2.700 3.343 . 0 0 "[ . 1 . 2]" 1
220 1 68 ILE MD 1 69 GLN H 5.030 . 5.030 3.924 3.637 4.279 . 0 0 "[ . 1 . 2]" 1
221 1 69 GLN H 1 85 LEU MD2 5.450 . 5.450 5.269 4.733 5.546 0.096 16 0 "[ . 1 . 2]" 1
222 1 69 GLN H 1 87 ALA MB 4.800 . 4.800 3.450 2.973 4.105 . 0 0 "[ . 1 . 2]" 1
223 1 69 GLN H 1 69 GLN HG2 4.960 . 4.960 4.196 2.019 4.508 . 0 0 "[ . 1 . 2]" 1
224 1 27 GLN HA 1 69 GLN HE22 4.890 . 4.890 2.943 1.759 4.911 0.021 6 0 "[ . 1 . 2]" 1
225 1 70 THR H 1 70 THR MG 4.730 . 4.730 3.854 3.820 3.893 . 0 0 "[ . 1 . 2]" 1
226 1 69 GLN HG2 1 70 THR H 4.960 . 4.960 3.296 2.343 5.007 0.047 1 0 "[ . 1 . 2]" 1
227 1 69 GLN HG3 1 70 THR H 4.960 . 4.960 3.666 2.550 4.915 . 0 0 "[ . 1 . 2]" 1
228 1 70 THR H 1 70 THR HB 3.870 . 3.870 2.569 2.479 2.641 . 0 0 "[ . 1 . 2]" 1
229 1 69 GLN HA 1 70 THR H 3.690 . 3.690 2.245 2.210 2.353 . 0 0 "[ . 1 . 2]" 1
230 1 70 THR H 1 70 THR HG1 4.500 . 4.500 2.565 2.342 3.096 . 0 0 "[ . 1 . 2]" 1
231 1 69 GLN H 1 70 THR H 5.750 . 5.750 4.579 4.460 4.636 . 0 0 "[ . 1 . 2]" 1
232 1 70 THR H 1 71 ILE H 5.780 . 5.780 4.277 4.188 4.361 . 0 0 "[ . 1 . 2]" 1
233 1 71 ILE MG 1 72 ALA H 4.610 . 4.610 3.278 3.019 3.563 . 0 0 "[ . 1 . 2]" 1
234 1 70 THR MG 1 72 ALA H 4.170 . 4.170 3.138 2.729 3.533 . 0 0 "[ . 1 . 2]" 1
235 1 71 ILE HB 1 72 ALA H 4.370 . 4.370 2.321 2.087 2.645 . 0 0 "[ . 1 . 2]" 1
236 1 72 ALA H 1 84 TYR QB 4.590 . 4.590 2.597 2.205 2.762 . 0 0 "[ . 1 . 2]" 1
237 1 71 ILE H 1 72 ALA H 3.850 . 3.850 2.496 2.386 2.664 . 0 0 "[ . 1 . 2]" 1
238 1 70 THR MG 1 73 MET H 5.270 . 5.270 4.036 3.783 4.386 . 0 0 "[ . 1 . 2]" 1
239 1 73 MET H 1 83 ALA MB 5.780 . 5.780 4.735 4.393 5.006 . 0 0 "[ . 1 . 2]" 1
240 1 72 ALA HA 1 73 MET H 3.410 . 3.410 2.308 2.258 2.391 . 0 0 "[ . 1 . 2]" 1
241 1 72 ALA H 1 73 MET H 5.090 . 5.090 4.370 4.324 4.392 . 0 0 "[ . 1 . 2]" 1
242 1 74 SER H 1 83 ALA MB 4.650 . 4.650 3.301 2.936 3.635 . 0 0 "[ . 1 . 2]" 1
243 1 73 MET HB2 1 74 SER H 5.220 . 5.220 4.259 4.141 4.473 . 0 0 "[ . 1 . 2]" 1
244 1 73 MET HB3 1 74 SER H 5.220 . 5.220 4.228 4.110 4.377 . 0 0 "[ . 1 . 2]" 1
245 1 74 SER H 1 83 ALA HA 4.570 . 4.570 3.416 3.178 3.607 . 0 0 "[ . 1 . 2]" 1
246 1 73 MET HA 1 74 SER H 3.600 . 3.600 2.192 2.140 2.246 . 0 0 "[ . 1 . 2]" 1
247 1 75 ARG H 1 75 ARG HB2 4.350 . 4.350 2.450 2.285 2.702 . 0 0 "[ . 1 . 2]" 1
248 1 75 ARG H 1 75 ARG HB3 4.350 . 4.350 3.409 2.460 3.674 . 0 0 "[ . 1 . 2]" 1
249 1 74 SER HB3 1 75 ARG H 4.900 . 4.900 2.624 2.134 3.566 . 0 0 "[ . 1 . 2]" 1
250 1 74 SER HA 1 75 ARG H 3.510 . 3.510 2.495 2.308 2.669 . 0 0 "[ . 1 . 2]" 1
251 1 74 SER H 1 75 ARG H 5.270 . 5.270 4.583 4.509 4.628 . 0 0 "[ . 1 . 2]" 1
252 1 75 ARG QG 1 76 ALA H 4.820 . 4.820 3.573 2.070 4.406 . 0 0 "[ . 1 . 2]" 1
253 1 75 ARG HB3 1 76 ALA H 5.130 . 5.130 2.936 2.392 3.996 . 0 0 "[ . 1 . 2]" 1
254 1 75 ARG HA 1 76 ALA H 3.730 . 3.730 2.305 2.175 2.450 . 0 0 "[ . 1 . 2]" 1
255 1 76 ALA MB 1 77 GLY H 4.890 . 4.890 3.121 3.014 3.261 . 0 0 "[ . 1 . 2]" 1
256 1 78 SER H 1 78 SER HB3 4.220 . 4.220 3.048 2.417 3.651 . 0 0 "[ . 1 . 2]" 1
257 1 78 SER H 1 78 SER HB2 4.220 . 4.220 2.718 2.502 3.696 . 0 0 "[ . 1 . 2]" 1
258 1 76 ALA HA 1 78 SER H 4.630 . 4.630 3.496 3.372 3.659 . 0 0 "[ . 1 . 2]" 1
259 1 78 SER H 1 81 TRP HD1 4.870 . 4.870 3.961 3.518 4.482 . 0 0 "[ . 1 . 2]" 1
260 1 77 GLY H 1 78 SER H 4.600 . 4.600 2.730 2.569 2.910 . 0 0 "[ . 1 . 2]" 1
261 1 78 SER HB2 1 79 ARG H 5.280 . 5.280 4.271 3.573 4.450 . 0 0 "[ . 1 . 2]" 1
262 1 78 SER HB3 1 79 ARG H 5.280 . 5.280 3.995 3.265 4.379 . 0 0 "[ . 1 . 2]" 1
263 1 78 SER HA 1 79 ARG H 3.550 . 3.550 2.172 2.142 2.208 . 0 0 "[ . 1 . 2]" 1
264 1 81 TRP H 1 101 LEU H 4.940 . 4.940 3.317 3.051 3.745 . 0 0 "[ . 1 . 2]" 1
265 1 56 PRO HG3 1 81 TRP HE1 5.260 . 5.260 3.582 2.874 4.139 . 0 0 "[ . 1 . 2]" 1
266 1 56 PRO HB3 1 81 TRP HE1 5.370 . 5.370 2.693 2.086 3.697 . 0 0 "[ . 1 . 2]" 1
267 1 56 PRO HB2 1 81 TRP HE1 5.370 . 5.370 3.502 2.746 4.980 . 0 0 "[ . 1 . 2]" 1
268 1 76 ALA HA 1 81 TRP HE1 5.260 . 5.260 4.488 3.715 5.253 . 0 0 "[ . 1 . 2]" 1
269 1 82 LYS H 1 82 LYS QG 4.540 . 4.540 3.930 2.333 4.208 . 0 0 "[ . 1 . 2]" 1
270 1 74 SER HB3 1 82 LYS H 4.870 . 4.870 3.098 2.180 3.579 . 0 0 "[ . 1 . 2]" 1
271 1 74 SER HB2 1 82 LYS H 4.870 . 4.870 2.363 1.953 2.627 . 0 0 "[ . 1 . 2]" 1
272 1 82 LYS QG 1 83 ALA H 4.220 . 4.220 2.576 1.953 4.299 0.079 8 0 "[ . 1 . 2]" 1
273 1 82 LYS QB 1 83 ALA H 4.420 . 4.420 3.389 2.465 3.692 . 0 0 "[ . 1 . 2]" 1
274 1 82 LYS QD 1 83 ALA H 5.780 . 5.780 3.968 2.264 5.155 . 0 0 "[ . 1 . 2]" 1
275 1 83 ALA H 1 99 LEU QB 4.530 . 4.530 3.301 2.954 3.759 . 0 0 "[ . 1 . 2]" 1
276 1 82 LYS HA 1 83 ALA H 3.690 . 3.690 2.275 2.202 2.450 . 0 0 "[ . 1 . 2]" 1
277 1 83 ALA H 1 99 LEU H 4.300 . 4.300 2.819 2.566 3.109 . 0 0 "[ . 1 . 2]" 1
278 1 84 TYR H 1 85 LEU MD2 5.370 . 5.370 3.842 3.628 4.121 . 0 0 "[ . 1 . 2]" 1
279 1 83 ALA MB 1 84 TYR H 3.920 . 3.920 2.839 2.677 3.069 . 0 0 "[ . 1 . 2]" 1
280 1 72 ALA MB 1 84 TYR H 4.810 . 4.810 2.676 2.198 3.022 . 0 0 "[ . 1 . 2]" 1
281 1 83 ALA HA 1 84 TYR H 3.640 . 3.640 2.193 2.135 2.256 . 0 0 "[ . 1 . 2]" 1
282 1 73 MET HA 1 84 TYR H 4.870 . 4.870 3.639 3.344 3.917 . 0 0 "[ . 1 . 2]" 1
283 1 84 TYR H 1 84 TYR QD 5.270 . 5.270 3.409 2.776 3.731 . 0 0 "[ . 1 . 2]" 1
284 1 72 ALA H 1 84 TYR H 4.430 . 4.430 2.787 2.591 2.977 . 0 0 "[ . 1 . 2]" 1
285 1 85 LEU H 1 85 LEU MD1 5.200 . 5.200 4.028 3.908 4.137 . 0 0 "[ . 1 . 2]" 1
286 1 85 LEU H 1 85 LEU MD2 5.490 . 5.490 3.526 3.360 3.612 . 0 0 "[ . 1 . 2]" 1
287 1 85 LEU H 1 85 LEU HG 4.570 . 4.570 2.800 2.715 2.887 . 0 0 "[ . 1 . 2]" 1
288 1 84 TYR QB 1 85 LEU H 4.980 . 4.980 3.347 3.130 3.524 . 0 0 "[ . 1 . 2]" 1
289 1 85 LEU MD2 1 86 SER H 4.730 . 4.730 3.811 3.663 3.937 . 0 0 "[ . 1 . 2]" 1
290 1 68 ILE MG 1 86 SER H 4.830 . 4.830 3.132 2.894 3.557 . 0 0 "[ . 1 . 2]" 1
291 1 70 THR HA 1 86 SER H 5.000 . 5.000 3.819 3.398 4.076 . 0 0 "[ . 1 . 2]" 1
292 1 33 PHE QE 1 86 SER H 5.210 . 5.210 4.282 3.842 4.785 . 0 0 "[ . 1 . 2]" 1
293 1 69 GLN H 1 86 SER H 4.940 . 4.940 3.589 3.018 3.895 . 0 0 "[ . 1 . 2]" 1
294 1 71 ILE H 1 86 SER H 5.320 . 5.320 3.851 3.504 4.050 . 0 0 "[ . 1 . 2]" 1
295 1 68 ILE MD 1 87 ALA H 5.550 . 5.550 4.747 4.506 5.255 . 0 0 "[ . 1 . 2]" 1
296 1 87 ALA H 1 96 LEU MD2 5.780 . 5.780 4.597 3.838 5.833 0.053 14 0 "[ . 1 . 2]" 1
297 1 87 ALA H 1 94 LEU MD2 4.960 . 4.960 4.099 3.628 4.658 . 0 0 "[ . 1 . 2]" 1
298 1 87 ALA H 1 94 LEU MD1 5.280 . 5.280 3.509 2.665 4.418 . 0 0 "[ . 1 . 2]" 1
299 1 86 SER HB3 1 87 ALA H 4.820 . 4.820 3.652 2.623 4.109 . 0 0 "[ . 1 . 2]" 1
300 1 87 ALA H 1 94 LEU HA 5.780 . 5.780 4.724 4.354 5.087 . 0 0 "[ . 1 . 2]" 1
301 1 87 ALA H 1 95 PHE HA 5.780 . 5.780 4.671 4.540 4.829 . 0 0 "[ . 1 . 2]" 1
302 1 87 ALA H 1 95 PHE H 4.620 . 4.620 2.982 2.714 3.222 . 0 0 "[ . 1 . 2]" 1
303 1 22 LEU MD2 1 88 GLN H 5.250 . 5.250 3.432 2.618 4.159 . 0 0 "[ . 1 . 2]" 1
304 1 23 VAL MG2 1 88 GLN HE21 5.070 . 5.070 4.181 1.933 5.177 0.107 6 0 "[ . 1 . 2]" 1
305 1 23 VAL MG2 1 89 ASP H 5.780 . 5.780 4.445 4.008 4.756 . 0 0 "[ . 1 . 2]" 1
306 1 88 GLN HG2 1 89 ASP H 5.280 . 5.280 3.600 2.853 5.189 . 0 0 "[ . 1 . 2]" 1
307 1 88 GLN HG3 1 89 ASP H 5.280 . 5.280 3.864 3.005 5.279 . 0 0 "[ . 1 . 2]" 1
308 1 88 GLN H 1 89 ASP H 5.290 . 5.290 4.136 4.021 4.319 . 0 0 "[ . 1 . 2]" 1
309 1 89 ASP HB2 1 90 ASP H 4.130 . 4.130 2.367 2.101 2.583 . 0 0 "[ . 1 . 2]" 1
310 1 91 THR MG 1 92 GLY H 5.300 . 5.300 4.138 3.973 4.569 . 0 0 "[ . 1 . 2]" 1
311 1 91 THR H 1 92 GLY H 3.770 . 3.770 2.393 2.218 2.513 . 0 0 "[ . 1 . 2]" 1
312 1 93 CYS H 1 93 CYS HB2 4.320 . 4.320 2.572 2.367 2.755 . 0 0 "[ . 1 . 2]" 1
313 1 93 CYS H 1 93 CYS HB3 4.320 . 4.320 3.468 2.350 3.665 . 0 0 "[ . 1 . 2]" 1
314 1 89 ASP H 1 93 CYS H 4.870 . 4.870 3.443 3.092 3.861 . 0 0 "[ . 1 . 2]" 1
315 1 91 THR H 1 93 CYS H 5.270 . 5.270 3.784 3.646 3.907 . 0 0 "[ . 1 . 2]" 1
316 1 94 LEU H 1 94 LEU HG 5.020 . 5.020 4.730 4.659 4.793 . 0 0 "[ . 1 . 2]" 1
317 1 93 CYS HA 1 94 LEU H 3.660 . 3.660 2.167 2.108 2.211 . 0 0 "[ . 1 . 2]" 1
318 1 94 LEU MD2 1 95 PHE H 5.390 . 5.390 3.036 2.566 3.435 . 0 0 "[ . 1 . 2]" 1
319 1 94 LEU QB 1 95 PHE H 4.750 . 4.750 3.799 3.671 3.935 . 0 0 "[ . 1 . 2]" 1
320 1 94 LEU HG 1 95 PHE H 5.780 . 5.780 4.901 4.652 5.182 . 0 0 "[ . 1 . 2]" 1
321 1 95 PHE H 1 96 LEU HG 5.780 . 5.780 4.665 4.556 4.830 . 0 0 "[ . 1 . 2]" 1
322 1 94 LEU HA 1 95 PHE H 3.690 . 3.690 2.185 2.151 2.206 . 0 0 "[ . 1 . 2]" 1
323 1 86 SER HA 1 95 PHE H 5.410 . 5.410 4.699 4.426 4.893 . 0 0 "[ . 1 . 2]" 1
324 1 96 LEU H 1 96 LEU HG 4.640 . 4.640 3.015 2.603 3.615 . 0 0 "[ . 1 . 2]" 1
325 1 96 LEU H 1 114 GLN HA 5.160 . 5.160 2.876 2.465 3.175 . 0 0 "[ . 1 . 2]" 1
326 1 96 LEU H 1 113 LYS H 5.150 . 5.150 3.332 2.937 3.611 . 0 0 "[ . 1 . 2]" 1
327 1 97 THR H 1 97 THR HG1 5.290 . 5.290 3.120 2.737 3.406 . 0 0 "[ . 1 . 2]" 1
328 1 33 PHE QE 1 97 THR H 5.110 . 5.110 2.897 2.507 3.310 . 0 0 "[ . 1 . 2]" 1
329 1 37 TRP HZ3 1 97 THR H 5.340 . 5.340 3.532 3.122 4.014 . 0 0 "[ . 1 . 2]" 1
330 1 33 PHE QD 1 97 THR H 5.520 . 5.520 5.127 4.826 5.451 . 0 0 "[ . 1 . 2]" 1
331 1 85 LEU H 1 97 THR H 4.670 . 4.670 3.131 2.928 3.404 . 0 0 "[ . 1 . 2]" 1
332 1 97 THR MG 1 98 GLU H 4.090 . 4.090 2.397 2.234 2.571 . 0 0 "[ . 1 . 2]" 1
333 1 98 GLU H 1 112 VAL HA 5.080 . 5.080 4.031 3.618 4.289 . 0 0 "[ . 1 . 2]" 1
334 1 82 LYS QG 1 99 LEU H 5.780 . 5.780 4.270 3.611 5.823 0.043 7 0 "[ . 1 . 2]" 1
335 1 99 LEU H 1 99 LEU MD1 5.780 . 5.780 4.043 3.861 4.191 . 0 0 "[ . 1 . 2]" 1
336 1 99 LEU H 1 99 LEU MD2 4.980 . 4.980 3.562 3.374 3.779 . 0 0 "[ . 1 . 2]" 1
337 1 83 ALA MB 1 99 LEU H 5.130 . 5.130 3.129 2.840 3.596 . 0 0 "[ . 1 . 2]" 1
338 1 99 LEU H 1 99 LEU HG 4.510 . 4.510 2.839 2.541 3.100 . 0 0 "[ . 1 . 2]" 1
339 1 100 LEU H 1 100 LEU QD 4.790 . 4.790 3.978 3.857 4.044 . 0 0 "[ . 1 . 2]" 1
340 1 99 LEU QB 1 100 LEU H 4.420 . 4.420 3.244 3.072 3.393 . 0 0 "[ . 1 . 2]" 1
341 1 100 LEU H 1 108 MET QG 4.580 . 4.580 2.933 2.217 3.956 . 0 0 "[ . 1 . 2]" 1
342 1 100 LEU H 1 108 MET HA 5.520 . 5.520 4.015 3.742 4.394 . 0 0 "[ . 1 . 2]" 1
343 1 100 LEU H 1 110 ILE HA 5.710 . 5.710 4.044 3.768 4.331 . 0 0 "[ . 1 . 2]" 1
344 1 99 LEU HA 1 100 LEU H 3.590 . 3.590 2.208 2.152 2.259 . 0 0 "[ . 1 . 2]" 1
345 1 100 LEU H 1 109 GLN H 4.500 . 4.500 2.710 2.351 3.000 . 0 0 "[ . 1 . 2]" 1
346 1 82 LYS HA 1 101 LEU H 5.290 . 5.290 3.784 3.336 4.163 . 0 0 "[ . 1 . 2]" 1
347 1 101 LEU HG 1 102 GLU H 5.370 . 5.370 3.268 2.878 3.590 . 0 0 "[ . 1 . 2]" 1
348 1 104 GLY H 1 105 ASN H 4.900 . 4.900 2.900 2.036 4.185 . 0 0 "[ . 1 . 2]" 1
349 1 106 SER H 1 107 GLU H 4.300 . 4.300 3.684 3.334 4.154 . 0 0 "[ . 1 . 2]" 1
350 1 105 ASN H 1 106 SER H 4.780 . 4.780 4.464 4.230 4.633 . 0 0 "[ . 1 . 2]" 1
351 1 101 LEU MD1 1 107 GLU H 4.970 . 4.970 2.793 2.320 3.287 . 0 0 "[ . 1 . 2]" 1
352 1 107 GLU H 1 107 GLU QB 3.910 . 3.910 2.632 2.384 2.818 . 0 0 "[ . 1 . 2]" 1
353 1 107 GLU H 1 107 GLU HG2 4.810 . 4.810 4.361 3.113 4.785 . 0 0 "[ . 1 . 2]" 1
354 1 107 GLU H 1 107 GLU HG3 4.810 . 4.810 4.076 3.121 4.837 0.027 4 0 "[ . 1 . 2]" 1
355 1 105 ASN HB2 1 107 GLU H 5.090 . 5.090 4.344 3.519 5.411 0.321 18 0 "[ . 1 . 2]" 1
356 1 105 ASN HB3 1 107 GLU H 5.090 . 5.090 3.911 3.094 5.079 . 0 0 "[ . 1 . 2]" 1
357 1 106 SER QB 1 107 GLU H 4.870 . 4.870 3.931 3.751 4.106 . 0 0 "[ . 1 . 2]" 1
358 1 108 MET H 1 108 MET HB2 4.300 . 4.300 3.052 2.776 3.215 . 0 0 "[ . 1 . 2]" 1
359 1 107 GLU QB 1 108 MET H 4.480 . 4.480 3.174 2.455 3.867 . 0 0 "[ . 1 . 2]" 1
360 1 108 MET H 1 108 MET HB3 4.300 . 4.300 2.612 2.401 2.697 . 0 0 "[ . 1 . 2]" 1
361 1 49 PRO HA 1 108 MET H 4.990 . 4.990 3.617 2.974 4.124 . 0 0 "[ . 1 . 2]" 1
362 1 107 GLU HA 1 108 MET H 3.620 . 3.620 2.217 2.132 2.324 . 0 0 "[ . 1 . 2]" 1
363 1 48 LEU H 1 108 MET H 4.500 . 4.500 3.155 2.633 3.610 . 0 0 "[ . 1 . 2]" 1
364 1 47 VAL MG1 1 109 GLN H 5.420 . 5.420 4.260 3.673 5.103 . 0 0 "[ . 1 . 2]" 1
365 1 100 LEU QD 1 109 GLN H 5.780 . 5.780 4.052 3.696 4.827 . 0 0 "[ . 1 . 2]" 1
366 1 108 MET QG 1 109 GLN H 4.120 . 4.120 2.873 2.583 3.514 . 0 0 "[ . 1 . 2]" 1
367 1 108 MET HA 1 109 GLN H 3.710 . 3.710 2.183 2.123 2.233 . 0 0 "[ . 1 . 2]" 1
368 1 100 LEU QD 1 109 GLN HE21 4.450 . 4.450 3.041 1.690 4.524 0.074 20 0 "[ . 1 . 2]" 1
369 1 109 GLN HB2 1 109 GLN HE22 5.210 . 5.210 4.163 3.551 4.902 . 0 0 "[ . 1 . 2]" 1
370 1 109 GLN HB3 1 109 GLN HE22 5.210 . 5.210 4.240 3.461 5.256 0.046 5 0 "[ . 1 . 2]" 1
371 1 47 VAL MG2 1 110 ILE H 4.660 . 4.660 3.782 3.173 4.356 . 0 0 "[ . 1 . 2]" 1
372 1 110 ILE H 1 110 ILE HG12 4.870 . 4.870 4.233 3.671 4.548 . 0 0 "[ . 1 . 2]" 1
373 1 110 ILE H 1 110 ILE HB 4.240 . 4.240 2.617 2.524 2.804 . 0 0 "[ . 1 . 2]" 1
374 1 109 GLN HG2 1 110 ILE H 5.460 . 5.460 4.403 3.160 5.265 . 0 0 "[ . 1 . 2]" 1
375 1 109 GLN HA 1 110 ILE H 3.680 . 3.680 2.154 2.110 2.200 . 0 0 "[ . 1 . 2]" 1
376 1 47 VAL HA 1 110 ILE H 4.550 . 4.550 3.127 2.700 3.735 . 0 0 "[ . 1 . 2]" 1
377 1 110 ILE MG 1 111 SER H 4.290 . 4.290 3.034 2.696 3.127 . 0 0 "[ . 1 . 2]" 1
378 1 97 THR MG 1 111 SER H 4.540 . 4.540 3.324 2.972 3.643 . 0 0 "[ . 1 . 2]" 1
379 1 110 ILE HB 1 111 SER H 5.040 . 5.040 4.360 4.191 4.432 . 0 0 "[ . 1 . 2]" 1
380 1 110 ILE HA 1 111 SER H 3.600 . 3.600 2.198 2.138 2.249 . 0 0 "[ . 1 . 2]" 1
381 1 99 LEU HA 1 111 SER H 5.220 . 5.220 3.958 3.591 4.251 . 0 0 "[ . 1 . 2]" 1
382 1 98 GLU H 1 111 SER H 4.610 . 4.610 2.762 2.563 3.049 . 0 0 "[ . 1 . 2]" 1
383 1 42 VAL MG1 1 112 VAL H 4.430 . 4.430 3.329 2.690 3.830 . 0 0 "[ . 1 . 2]" 1
384 1 112 VAL H 1 112 VAL MG2 4.210 . 4.210 2.464 2.375 2.606 . 0 0 "[ . 1 . 2]" 1
385 1 45 GLN HA 1 112 VAL H 5.070 . 5.070 3.083 2.784 3.422 . 0 0 "[ . 1 . 2]" 1
386 1 111 SER HA 1 112 VAL H 3.720 . 3.720 2.168 2.117 2.235 . 0 0 "[ . 1 . 2]" 1
387 1 44 HIS H 1 112 VAL H 4.690 . 4.690 3.562 3.214 3.761 . 0 0 "[ . 1 . 2]" 1
388 1 97 THR MG 1 113 LYS H 5.710 . 5.710 4.794 4.409 5.218 . 0 0 "[ . 1 . 2]" 1
389 1 98 GLU H 1 113 LYS H 5.780 . 5.780 5.217 4.913 5.562 . 0 0 "[ . 1 . 2]" 1
390 1 112 VAL H 1 113 LYS H 5.780 . 5.780 4.368 4.309 4.438 . 0 0 "[ . 1 . 2]" 1
391 1 40 LEU MD1 1 114 GLN H 5.040 . 5.040 3.896 3.118 4.703 . 0 0 "[ . 1 . 2]" 1
392 1 43 ALA MB 1 114 GLN H 4.430 . 4.430 2.725 2.493 3.094 . 0 0 "[ . 1 . 2]" 1
393 1 114 GLN H 1 114 GLN QG 4.990 . 4.990 2.518 1.826 2.824 . 0 0 "[ . 1 . 2]" 1
394 1 40 LEU MD1 1 115 ASN H 4.990 . 4.990 3.234 3.067 3.465 . 0 0 "[ . 1 . 2]" 1
395 1 94 LEU QB 1 115 ASN H 4.830 . 4.830 3.193 2.777 3.714 . 0 0 "[ . 1 . 2]" 1
396 1 114 GLN HB2 1 115 ASN H 5.070 . 5.070 2.484 2.189 2.893 . 0 0 "[ . 1 . 2]" 1
397 1 114 GLN HB3 1 115 ASN H 5.070 . 5.070 3.746 3.494 3.948 . 0 0 "[ . 1 . 2]" 1
398 1 114 GLN HA 1 115 ASN H 3.660 . 3.660 2.361 2.189 2.484 . 0 0 "[ . 1 . 2]" 1
399 1 115 ASN H 1 116 GLU H 4.150 . 4.150 2.752 2.387 3.151 . 0 0 "[ . 1 . 2]" 1
400 1 94 LEU MD1 1 115 ASN HD21 5.460 . 5.460 5.185 4.160 5.630 0.170 7 0 "[ . 1 . 2]" 1
401 1 94 LEU H 1 115 ASN HD21 5.230 . 5.230 3.646 2.304 5.338 0.108 14 0 "[ . 1 . 2]" 1
402 1 94 LEU H 1 115 ASN HD22 5.720 . 5.720 4.486 1.988 5.864 0.144 14 0 "[ . 1 . 2]" 1
403 1 115 ASN H 1 115 ASN HD22 5.780 . 5.780 5.147 3.250 5.856 0.076 11 0 "[ . 1 . 2]" 1
404 1 114 GLN QG 1 116 GLU H 4.470 . 4.470 3.628 2.852 4.334 . 0 0 "[ . 1 . 2]" 1
405 1 117 ALA H 1 117 ALA MB 3.320 . 3.320 2.263 2.221 2.308 . 0 0 "[ . 1 . 2]" 1
406 1 116 GLU HB3 1 117 ALA H 5.130 . 5.130 3.712 3.454 3.866 . 0 0 "[ . 1 . 2]" 1
407 1 116 GLU HB2 1 117 ALA H 5.130 . 5.130 4.407 4.313 4.455 . 0 0 "[ . 1 . 2]" 1
408 1 116 GLU QG 1 117 ALA H 4.870 . 4.870 4.385 4.141 4.904 0.034 15 0 "[ . 1 . 2]" 1
409 1 116 GLU HA 1 117 ALA H 3.370 . 3.370 2.188 2.128 2.263 . 0 0 "[ . 1 . 2]" 1
410 1 116 GLU H 1 117 ALA H 4.830 . 4.830 4.139 3.994 4.361 . 0 0 "[ . 1 . 2]" 1
411 1 117 ALA MB 1 118 ARG H 3.890 . 3.890 3.416 3.348 3.487 . 0 0 "[ . 1 . 2]" 1
412 1 118 ARG H 1 118 ARG HG2 5.000 . 5.000 4.353 3.730 4.696 . 0 0 "[ . 1 . 2]" 1
413 1 118 ARG H 1 118 ARG HG3 4.820 . 4.820 4.045 2.568 4.711 . 0 0 "[ . 1 . 2]" 1
414 1 117 ALA HA 1 118 ARG H 3.330 . 3.330 2.174 2.134 2.243 . 0 0 "[ . 1 . 2]" 1
415 1 114 GLN HE21 1 118 ARG H 4.980 . 4.980 3.006 2.410 4.109 . 0 0 "[ . 1 . 2]" 1
416 1 114 GLN HE22 1 118 ARG H 4.980 . 4.980 3.617 2.255 4.786 . 0 0 "[ . 1 . 2]" 1
417 1 117 ALA H 1 118 ARG H 5.070 . 5.070 4.356 4.278 4.427 . 0 0 "[ . 1 . 2]" 1
418 1 119 THR H 1 120 GLU H 4.820 . 4.820 2.719 2.548 2.904 . 0 0 "[ . 1 . 2]" 1
419 1 119 THR MG 1 120 GLU H 5.260 . 5.260 3.664 3.428 4.045 . 0 0 "[ . 1 . 2]" 1
420 1 118 ARG HG2 1 120 GLU H 5.460 . 5.460 3.391 2.045 4.999 . 0 0 "[ . 1 . 2]" 1
421 1 118 ARG HG3 1 120 GLU H 5.180 . 5.180 4.381 3.278 5.429 0.249 18 0 "[ . 1 . 2]" 1
422 1 120 GLU H 1 120 GLU QB 3.830 . 3.830 2.318 2.164 2.589 . 0 0 "[ . 1 . 2]" 1
423 1 120 GLU H 1 120 GLU QG 4.390 . 4.390 3.510 1.944 4.075 . 0 0 "[ . 1 . 2]" 1
424 1 119 THR HB 1 120 GLU H 4.080 . 4.080 2.695 2.405 3.650 . 0 0 "[ . 1 . 2]" 1
425 1 120 GLU H 1 121 THR H 4.560 . 4.560 2.781 2.664 2.898 . 0 0 "[ . 1 . 2]" 1
426 1 118 ARG HG2 1 121 THR H 4.740 . 4.740 3.563 2.224 4.892 0.152 20 0 "[ . 1 . 2]" 1
427 1 118 ARG HB3 1 121 THR H 5.420 . 5.420 2.721 2.157 3.375 . 0 0 "[ . 1 . 2]" 1
428 1 118 ARG HB2 1 121 THR H 5.420 . 5.420 3.384 1.823 4.578 . 0 0 "[ . 1 . 2]" 1
429 1 120 GLU QB 1 121 THR H 4.370 . 4.370 2.599 2.244 3.459 . 0 0 "[ . 1 . 2]" 1
430 1 121 THR H 1 122 LEU H 3.970 . 3.970 2.689 2.564 2.789 . 0 0 "[ . 1 . 2]" 1
431 1 122 LEU H 1 122 LEU MD1 4.820 . 4.820 4.120 3.923 4.210 . 0 0 "[ . 1 . 2]" 1
432 1 122 LEU H 1 122 LEU MD2 5.320 . 5.320 4.314 4.241 4.375 . 0 0 "[ . 1 . 2]" 1
433 1 122 LEU H 1 122 LEU HG 5.100 . 5.100 4.530 4.483 4.611 . 0 0 "[ . 1 . 2]" 1
434 1 122 LEU H 1 122 LEU HB2 4.200 . 4.200 2.484 2.293 2.604 . 0 0 "[ . 1 . 2]" 1
435 1 122 LEU H 1 122 LEU HB3 4.200 . 4.200 2.543 2.446 2.695 . 0 0 "[ . 1 . 2]" 1
436 1 119 THR HA 1 122 LEU H 5.200 . 5.200 3.939 3.489 4.181 . 0 0 "[ . 1 . 2]" 1
437 1 121 THR HB 1 122 LEU H 5.190 . 5.190 3.630 3.384 3.798 . 0 0 "[ . 1 . 2]" 1
438 1 122 LEU MD2 1 123 ASN H 4.500 . 4.500 4.210 4.040 4.417 . 0 0 "[ . 1 . 2]" 1
439 1 122 LEU HG 1 123 ASN H 4.910 . 4.910 3.669 3.512 3.982 . 0 0 "[ . 1 . 2]" 1
440 1 122 LEU HB2 1 123 ASN H 4.570 . 4.570 3.811 3.699 3.907 . 0 0 "[ . 1 . 2]" 1
441 1 122 LEU HB3 1 123 ASN H 4.570 . 4.570 2.438 2.375 2.568 . 0 0 "[ . 1 . 2]" 1
442 1 123 ASN H 1 123 ASN HB3 4.190 . 4.190 3.634 3.592 3.667 . 0 0 "[ . 1 . 2]" 1
443 1 123 ASN H 1 123 ASN HB2 3.890 . 3.890 2.465 2.348 2.610 . 0 0 "[ . 1 . 2]" 1
444 1 120 GLU HA 1 123 ASN H 4.880 . 4.880 3.990 3.451 4.519 . 0 0 "[ . 1 . 2]" 1
445 1 122 LEU H 1 123 ASN H 4.010 . 4.010 2.853 2.777 2.923 . 0 0 "[ . 1 . 2]" 1
446 1 120 GLU HA 1 123 ASN HD21 5.150 . 5.150 3.920 3.134 5.411 0.261 9 0 "[ . 1 . 2]" 1
447 1 123 ASN HB3 1 124 SER H 4.420 . 4.420 3.579 3.429 3.754 . 0 0 "[ . 1 . 2]" 1
448 1 123 ASN HB2 1 124 SER H 4.400 . 4.400 2.675 2.478 2.844 . 0 0 "[ . 1 . 2]" 1
449 1 124 SER H 1 124 SER HB3 4.360 . 4.360 2.879 2.450 3.619 . 0 0 "[ . 1 . 2]" 1
450 1 124 SER H 1 124 SER HB2 4.360 . 4.360 2.696 2.474 3.613 . 0 0 "[ . 1 . 2]" 1
451 1 123 ASN H 1 124 SER H 4.170 . 4.170 2.668 2.568 2.755 . 0 0 "[ . 1 . 2]" 1
452 1 124 SER H 1 125 PHE H 4.390 . 4.390 2.633 2.481 2.799 . 0 0 "[ . 1 . 2]" 1
453 1 122 LEU HA 1 125 PHE H 5.400 . 5.400 3.771 3.590 3.982 . 0 0 "[ . 1 . 2]" 1
454 1 126 ILE H 1 126 ILE MG 4.360 . 4.360 3.814 3.782 3.846 . 0 0 "[ . 1 . 2]" 1
455 1 126 ILE H 1 126 ILE HG12 4.320 . 4.320 3.499 3.436 3.557 . 0 0 "[ . 1 . 2]" 1
456 1 126 ILE H 1 126 ILE HG13 4.320 . 4.320 2.127 2.043 2.267 . 0 0 "[ . 1 . 2]" 1
457 1 126 ILE H 1 126 ILE HB 3.940 . 3.940 2.560 2.467 2.660 . 0 0 "[ . 1 . 2]" 1
458 1 125 PHE HB3 1 126 ILE H 4.890 . 4.890 2.575 2.415 2.763 . 0 0 "[ . 1 . 2]" 1
459 1 125 PHE HB2 1 126 ILE H 4.890 . 4.890 3.842 3.751 3.941 . 0 0 "[ . 1 . 2]" 1
460 1 123 ASN HA 1 126 ILE H 4.790 . 4.790 3.712 3.442 3.918 . 0 0 "[ . 1 . 2]" 1
461 1 125 PHE QD 1 126 ILE H 5.230 . 5.230 3.644 3.337 4.083 . 0 0 "[ . 1 . 2]" 1
462 1 126 ILE MG 1 127 SER H 4.420 . 4.420 3.503 3.348 3.721 . 0 0 "[ . 1 . 2]" 1
463 1 127 SER H 1 128 VAL MG2 5.780 . 5.780 4.272 4.173 4.390 . 0 0 "[ . 1 . 2]" 1
464 1 126 ILE HB 1 127 SER H 4.070 . 4.070 2.627 2.464 2.880 . 0 0 "[ . 1 . 2]" 1
465 1 127 SER H 1 127 SER QB 3.410 . 3.410 2.444 2.230 2.759 . 0 0 "[ . 1 . 2]" 1
466 1 126 ILE H 1 127 SER H 4.040 . 4.040 2.665 2.590 2.778 . 0 0 "[ . 1 . 2]" 1
467 1 128 VAL H 1 128 VAL MG1 4.440 . 4.440 3.816 3.787 3.845 . 0 0 "[ . 1 . 2]" 1
468 1 128 VAL H 1 128 VAL HB 3.780 . 3.780 2.515 2.442 2.579 . 0 0 "[ . 1 . 2]" 1
469 1 125 PHE HA 1 128 VAL H 5.010 . 5.010 3.429 3.141 3.627 . 0 0 "[ . 1 . 2]" 1
470 1 127 SER QB 1 128 VAL H 4.050 . 4.050 2.792 2.512 3.618 . 0 0 "[ . 1 . 2]" 1
471 1 124 SER HA 1 128 VAL H 5.320 . 5.320 4.298 4.113 4.464 . 0 0 "[ . 1 . 2]" 1
472 1 128 VAL MG1 1 129 LEU H 4.430 . 4.430 3.154 2.987 3.280 . 0 0 "[ . 1 . 2]" 1
473 1 129 LEU H 1 129 LEU MD1 4.900 . 4.900 3.760 3.552 4.234 . 0 0 "[ . 1 . 2]" 1
474 1 128 VAL MG2 1 129 LEU H 4.560 . 4.560 3.834 3.736 3.994 . 0 0 "[ . 1 . 2]" 1
475 1 129 LEU H 1 129 LEU HB2 4.000 . 4.000 2.531 2.182 2.664 . 0 0 "[ . 1 . 2]" 1
476 1 129 LEU H 1 129 LEU HB3 4.000 . 4.000 3.349 2.330 3.636 . 0 0 "[ . 1 . 2]" 1
477 1 128 VAL HB 1 129 LEU H 4.030 . 4.030 2.406 2.285 2.649 . 0 0 "[ . 1 . 2]" 1
478 1 126 ILE HA 1 129 LEU H 4.910 . 4.910 3.518 3.183 3.914 . 0 0 "[ . 1 . 2]" 1
479 1 129 LEU H 1 130 GLU H 4.160 . 4.160 2.863 2.780 2.985 . 0 0 "[ . 1 . 2]" 1
480 1 126 ILE MG 1 130 GLU H 4.940 . 4.940 3.975 3.754 4.179 . 0 0 "[ . 1 . 2]" 1
481 1 129 LEU MD2 1 130 GLU H 5.520 . 5.520 4.449 3.329 4.809 . 0 0 "[ . 1 . 2]" 1
482 1 130 GLU H 1 132 VAL MG2 5.250 . 5.250 4.922 4.516 5.240 . 0 0 "[ . 1 . 2]" 1
483 1 129 LEU HB2 1 130 GLU H 4.290 . 4.290 2.976 2.458 3.863 . 0 0 "[ . 1 . 2]" 1
484 1 129 LEU HB3 1 130 GLU H 4.290 . 4.290 3.450 2.369 3.840 . 0 0 "[ . 1 . 2]" 1
485 1 130 GLU H 1 130 GLU HB2 4.400 . 4.400 2.462 2.316 2.645 . 0 0 "[ . 1 . 2]" 1
486 1 130 GLU H 1 130 GLU HB3 4.400 . 4.400 3.615 3.559 3.652 . 0 0 "[ . 1 . 2]" 1
487 1 130 GLU H 1 130 GLU HG2 4.670 . 4.670 2.993 2.198 3.719 . 0 0 "[ . 1 . 2]" 1
488 1 130 GLU H 1 130 GLU HG3 4.670 . 4.670 3.030 2.225 3.810 . 0 0 "[ . 1 . 2]" 1
489 1 127 SER HA 1 130 GLU H 4.660 . 4.660 3.409 2.945 3.706 . 0 0 "[ . 1 . 2]" 1
490 1 131 THR H 1 131 THR MG 4.320 . 4.320 3.802 3.765 3.820 . 0 0 "[ . 1 . 2]" 1
491 1 130 GLU HB2 1 131 THR H 4.490 . 4.490 2.710 2.407 2.936 . 0 0 "[ . 1 . 2]" 1
492 1 130 GLU HB3 1 131 THR H 4.490 . 4.490 3.651 3.417 3.833 . 0 0 "[ . 1 . 2]" 1
493 1 128 VAL HA 1 131 THR H 4.450 . 4.450 3.628 3.453 3.788 . 0 0 "[ . 1 . 2]" 1
494 1 131 THR H 1 131 THR HB 3.830 . 3.830 2.584 2.382 2.722 . 0 0 "[ . 1 . 2]" 1
495 1 128 VAL H 1 131 THR H 5.210 . 5.210 4.807 4.626 4.917 . 0 0 "[ . 1 . 2]" 1
496 1 131 THR H 1 132 VAL H 3.950 . 3.950 2.674 2.546 2.765 . 0 0 "[ . 1 . 2]" 1
497 1 130 GLU H 1 131 THR H 4.050 . 4.050 2.661 2.572 2.729 . 0 0 "[ . 1 . 2]" 1
498 1 128 VAL MG1 1 132 VAL H 4.710 . 4.710 4.169 4.016 4.314 . 0 0 "[ . 1 . 2]" 1
499 1 132 VAL H 1 133 ILE HG13 5.250 . 5.250 4.632 4.429 5.268 0.018 15 0 "[ . 1 . 2]" 1
500 1 132 VAL H 1 132 VAL HB 3.940 . 3.940 2.548 2.427 2.675 . 0 0 "[ . 1 . 2]" 1
501 1 128 VAL HA 1 132 VAL H 5.230 . 5.230 4.354 4.139 4.558 . 0 0 "[ . 1 . 2]" 1
502 1 129 LEU HA 1 132 VAL H 5.410 . 5.410 3.476 3.211 3.714 . 0 0 "[ . 1 . 2]" 1
503 1 131 THR HB 1 132 VAL H 4.250 . 4.250 2.653 2.384 2.897 . 0 0 "[ . 1 . 2]" 1
504 1 132 VAL MG1 1 133 ILE H 4.260 . 4.260 3.260 3.058 3.448 . 0 0 "[ . 1 . 2]" 1
505 1 133 ILE H 1 133 ILE MG 4.300 . 4.300 3.775 3.655 3.805 . 0 0 "[ . 1 . 2]" 1
506 1 132 VAL MG2 1 133 ILE H 4.790 . 4.790 3.802 3.637 3.932 . 0 0 "[ . 1 . 2]" 1
507 1 133 ILE H 1 133 ILE HG13 4.050 . 4.050 2.344 2.196 2.779 . 0 0 "[ . 1 . 2]" 1
508 1 133 ILE H 1 133 ILE HB 3.820 . 3.820 2.413 2.204 2.488 . 0 0 "[ . 1 . 2]" 1
509 1 132 VAL HB 1 133 ILE H 4.270 . 4.270 2.437 2.294 2.564 . 0 0 "[ . 1 . 2]" 1
510 1 133 ILE MD 1 134 GLY H 5.080 . 5.080 4.724 4.518 5.018 . 0 0 "[ . 1 . 2]" 1
511 1 133 ILE HB 1 134 GLY H 4.300 . 4.300 2.654 2.438 2.945 . 0 0 "[ . 1 . 2]" 1
512 1 130 GLU HA 1 134 GLY H 5.300 . 5.300 3.765 3.367 4.071 . 0 0 "[ . 1 . 2]" 1
513 1 133 ILE H 1 134 GLY H 4.040 . 4.040 2.611 2.476 2.749 . 0 0 "[ . 1 . 2]" 1
514 1 135 THR H 1 135 THR MG 3.940 . 3.940 3.122 2.210 3.816 . 0 0 "[ . 1 . 2]" 1
515 1 132 VAL HA 1 135 THR H 4.870 . 4.870 3.835 3.503 4.119 . 0 0 "[ . 1 . 2]" 1
516 1 135 THR H 1 136 ILE H 3.790 . 3.790 2.628 2.542 2.771 . 0 0 "[ . 1 . 2]" 1
517 1 134 GLY H 1 135 THR H 3.980 . 3.980 2.809 2.707 2.918 . 0 0 "[ . 1 . 2]" 1
518 1 133 ILE H 1 135 THR H 5.100 . 5.100 4.283 4.059 4.466 . 0 0 "[ . 1 . 2]" 1
519 1 136 ILE H 1 136 ILE MD 4.740 . 4.740 3.484 2.695 3.795 . 0 0 "[ . 1 . 2]" 1
520 1 136 ILE H 1 136 ILE MG 4.120 . 4.120 3.818 3.767 3.879 . 0 0 "[ . 1 . 2]" 1
521 1 135 THR MG 1 136 ILE H 4.600 . 4.600 3.327 2.565 4.023 . 0 0 "[ . 1 . 2]" 1
522 1 136 ILE H 1 136 ILE HG13 4.390 . 4.390 2.517 2.035 3.805 . 0 0 "[ . 1 . 2]" 1
523 1 136 ILE H 1 136 ILE HG12 4.390 . 4.390 3.404 2.151 3.890 . 0 0 "[ . 1 . 2]" 1
524 1 136 ILE H 1 136 ILE HB 3.830 . 3.830 2.534 2.380 2.821 . 0 0 "[ . 1 . 2]" 1
525 1 136 ILE H 1 137 GLU H 3.860 . 3.860 2.328 2.082 2.603 . 0 0 "[ . 1 . 2]" 1
526 1 137 GLU H 1 137 GLU HB3 4.180 . 4.180 3.536 2.708 3.744 . 0 0 "[ . 1 . 2]" 1
527 1 137 GLU H 1 137 GLU HB2 4.180 . 4.180 2.647 2.251 4.121 . 0 0 "[ . 1 . 2]" 1
528 1 137 GLU H 1 137 GLU HG3 4.770 . 4.770 3.171 2.022 4.542 . 0 0 "[ . 1 . 2]" 1
529 1 136 ILE HB 1 137 GLU H 4.210 . 4.210 2.860 2.446 3.435 . 0 0 "[ . 1 . 2]" 1
530 1 138 GLU H 1 138 GLU HG3 5.170 . 5.170 3.686 2.047 4.926 . 0 0 "[ . 1 . 2]" 1
531 1 138 GLU H 1 138 GLU HB2 4.300 . 4.300 3.077 2.382 4.018 . 0 0 "[ . 1 . 2]" 1
532 1 138 GLU H 1 138 GLU HB3 4.300 . 4.300 3.439 2.488 4.173 . 0 0 "[ . 1 . 2]" 1
533 1 137 GLU HB2 1 138 GLU H 5.270 . 5.270 3.702 2.120 4.589 . 0 0 "[ . 1 . 2]" 1
534 1 137 GLU HB3 1 138 GLU H 5.270 . 5.270 3.552 2.041 4.651 . 0 0 "[ . 1 . 2]" 1
535 1 138 GLU H 1 138 GLU HG2 5.170 . 5.170 3.534 2.158 4.964 . 0 0 "[ . 1 . 2]" 1
536 1 137 GLU HA 1 138 GLU H 3.630 . 3.630 2.699 2.158 3.597 . 0 0 "[ . 1 . 2]" 1
537 1 139 ILE H 1 139 ILE HG13 4.340 . 4.340 2.993 1.809 3.890 . 0 0 "[ . 1 . 2]" 1
538 1 139 ILE H 1 139 ILE HG12 4.340 . 4.340 3.262 1.992 4.451 0.111 3 0 "[ . 1 . 2]" 1
539 1 139 ILE H 1 139 ILE HB 3.760 . 3.760 3.184 2.475 3.875 0.115 12 0 "[ . 1 . 2]" 1
540 1 138 GLU HA 1 139 ILE H 3.450 . 3.450 2.550 2.176 3.315 . 0 0 "[ . 1 . 2]" 1
541 1 139 ILE MG 1 140 LYS H 4.270 . 4.270 3.643 3.058 4.332 0.062 5 0 "[ . 1 . 2]" 1
542 1 140 LYS H 1 140 LYS QG 4.580 . 4.580 3.398 2.001 4.507 . 0 0 "[ . 1 . 2]" 1
543 1 139 ILE HB 1 140 LYS H 5.060 . 5.060 4.013 1.962 4.545 . 0 0 "[ . 1 . 2]" 1
544 1 139 ILE HA 1 140 LYS H 3.260 . 3.260 2.291 2.109 3.070 . 0 0 "[ . 1 . 2]" 1
545 1 140 LYS H 1 141 SER H 4.910 . 4.910 3.426 2.242 4.689 . 0 0 "[ . 1 . 2]" 1
546 1 18 GLY H 1 19 ALA H 4.560 . 4.560 3.617 1.857 4.643 0.083 20 0 "[ . 1 . 2]" 1
547 1 54 PHE HB2 1 55 HIS H 5.600 . 5.600 4.174 3.983 4.427 . 0 0 "[ . 1 . 2]" 1
548 1 61 MET HA 1 63 LEU H 5.200 . 5.200 4.457 4.286 4.651 . 0 0 "[ . 1 . 2]" 1
549 1 75 ARG H 1 78 SER H 5.640 . 5.640 4.609 4.163 4.968 . 0 0 "[ . 1 . 2]" 1
550 1 78 SER H 1 79 ARG H 5.780 . 5.780 4.441 4.347 4.584 . 0 0 "[ . 1 . 2]" 1
551 1 83 ALA H 1 100 LEU HA 4.780 . 4.780 4.062 3.741 4.345 . 0 0 "[ . 1 . 2]" 1
552 1 83 ALA H 1 98 GLU HA 5.370 . 5.370 4.147 3.936 4.490 . 0 0 "[ . 1 . 2]" 1
553 1 68 ILE MD 1 86 SER H 5.700 . 5.700 5.037 4.852 5.397 . 0 0 "[ . 1 . 2]" 1
554 1 71 ILE MD 1 86 SER H 5.780 . 5.780 3.944 3.392 4.397 . 0 0 "[ . 1 . 2]" 1
555 1 90 ASP HA 1 92 GLY H 5.060 . 5.060 3.838 3.699 4.109 . 0 0 "[ . 1 . 2]" 1
556 1 88 GLN HA 1 95 PHE H 5.310 . 5.310 3.306 2.987 3.827 . 0 0 "[ . 1 . 2]" 1
557 1 37 TRP HZ3 1 96 LEU H 5.440 . 5.440 4.653 4.299 5.029 . 0 0 "[ . 1 . 2]" 1
558 1 97 THR MG 1 99 LEU H 5.730 . 5.730 3.959 3.538 4.305 . 0 0 "[ . 1 . 2]" 1
559 1 50 TRP HE1 1 108 MET ME 5.780 . 5.780 5.374 4.168 5.908 0.128 17 0 "[ . 1 . 2]" 1
560 1 101 LEU HA 1 109 GLN H 5.690 . 5.690 3.787 3.468 3.973 . 0 0 "[ . 1 . 2]" 1
561 1 99 LEU MD2 1 111 SER H 5.020 . 5.020 3.667 3.150 4.059 . 0 0 "[ . 1 . 2]" 1
562 1 138 GLU HB3 1 139 ILE H 5.260 . 5.260 3.688 2.071 4.605 . 0 0 "[ . 1 . 2]" 1
563 1 13 GLU HA 1 14 LEU MD1 5.100 . 5.100 3.225 2.600 5.311 0.211 10 0 "[ . 1 . 2]" 1
564 1 14 LEU HB2 1 15 PRO HD3 5.080 . 5.080 4.714 4.468 4.941 . 0 0 "[ . 1 . 2]" 1
565 1 14 LEU H 1 14 LEU HG 4.840 . 4.840 3.813 3.503 4.723 . 0 0 "[ . 1 . 2]" 1
566 1 35 LYS HA 1 38 LEU MD1 4.410 . 4.410 3.442 2.924 4.194 . 0 0 "[ . 1 . 2]" 1
567 1 34 GLU HA 1 38 LEU MD1 5.780 . 5.780 4.413 3.425 4.730 . 0 0 "[ . 1 . 2]" 1
568 1 35 LYS H 1 38 LEU MD1 5.120 . 5.120 4.894 4.461 5.157 0.037 16 0 "[ . 1 . 2]" 1
569 1 14 LEU MD2 1 15 PRO HD3 4.960 . 4.960 4.884 4.440 5.068 0.108 5 0 "[ . 1 . 2]" 1
570 1 14 LEU HA 1 14 LEU MD2 4.000 . 4.000 3.794 3.668 3.938 . 0 0 "[ . 1 . 2]" 1
571 1 14 LEU HA 1 15 PRO QG 5.420 . 5.420 3.937 3.645 4.254 . 0 0 "[ . 1 . 2]" 1
572 1 14 LEU MD2 1 15 PRO HD2 4.960 . 4.960 4.188 3.443 4.896 . 0 0 "[ . 1 . 2]" 1
573 1 14 LEU HB3 1 15 PRO HD2 5.080 . 5.080 2.976 2.082 4.408 . 0 0 "[ . 1 . 2]" 1
574 1 14 LEU HB2 1 15 PRO HD2 5.080 . 5.080 4.383 3.687 5.028 . 0 0 "[ . 1 . 2]" 1
575 1 14 LEU HA 1 15 PRO HD2 3.660 . 3.660 2.761 2.508 3.028 . 0 0 "[ . 1 . 2]" 1
576 1 14 LEU HB3 1 15 PRO HD3 5.080 . 5.080 3.718 3.163 4.700 . 0 0 "[ . 1 . 2]" 1
577 1 14 LEU HA 1 15 PRO HD3 3.660 . 3.660 2.119 1.810 2.637 . 0 0 "[ . 1 . 2]" 1
578 1 19 ALA HA 1 20 LEU H 3.500 . 3.500 2.345 2.148 2.758 . 0 0 "[ . 1 . 2]" 1
579 1 19 ALA MB 1 20 LEU H 4.190 . 4.190 2.839 1.919 3.663 . 0 0 "[ . 1 . 2]" 1
580 1 40 LEU MD1 1 115 ASN HA 4.350 . 4.350 2.225 2.045 2.698 . 0 0 "[ . 1 . 2]" 1
581 1 40 LEU MD2 1 115 ASN HA 3.810 . 3.810 2.187 1.903 2.597 . 0 0 "[ . 1 . 2]" 1
582 1 20 LEU MD1 1 89 ASP HB3 4.610 . 4.610 2.295 1.821 2.873 . 0 0 "[ . 1 . 2]" 1
583 1 20 LEU MD1 1 89 ASP HB2 4.960 . 4.960 2.614 2.155 3.272 . 0 0 "[ . 1 . 2]" 1
584 1 20 LEU HA 1 20 LEU MD1 3.760 . 3.760 2.194 2.063 2.362 . 0 0 "[ . 1 . 2]" 1
585 1 20 LEU MD1 1 21 MET H 4.670 . 4.670 3.390 2.962 3.773 . 0 0 "[ . 1 . 2]" 1
586 1 85 LEU MD1 1 97 THR HB 4.410 . 4.410 2.909 2.397 3.437 . 0 0 "[ . 1 . 2]" 1
587 1 20 LEU MD2 1 124 SER HB3 4.830 . 4.830 2.601 1.828 4.886 0.056 6 0 "[ . 1 . 2]" 1
588 1 70 THR HA 1 85 LEU MD1 5.780 . 5.780 4.686 4.520 4.898 . 0 0 "[ . 1 . 2]" 1
589 1 85 LEU MD1 1 97 THR HG1 5.780 . 5.780 5.005 4.580 5.365 . 0 0 "[ . 1 . 2]" 1
590 1 20 LEU MD2 1 121 THR HB 5.780 . 5.780 3.786 3.068 5.297 . 0 0 "[ . 1 . 2]" 1
591 1 20 LEU MD2 1 95 PHE QE 4.990 . 4.990 3.820 2.903 4.655 . 0 0 "[ . 1 . 2]" 1
592 1 20 LEU MD2 1 125 PHE H 5.030 . 5.030 2.822 2.553 3.148 . 0 0 "[ . 1 . 2]" 1
593 1 21 MET QG 1 22 LEU H 5.100 . 5.100 3.938 3.360 4.839 . 0 0 "[ . 1 . 2]" 1
594 1 22 LEU MD2 1 89 ASP HB3 4.620 . 4.620 2.179 1.761 3.484 . 0 0 "[ . 1 . 2]" 1
595 1 22 LEU HA 1 22 LEU MD2 4.040 . 4.040 2.136 2.035 2.214 . 0 0 "[ . 1 . 2]" 1
596 1 22 LEU MD2 1 89 ASP HA 4.640 . 4.640 2.875 2.319 3.551 . 0 0 "[ . 1 . 2]" 1
597 1 22 LEU MD2 1 125 PHE QD 4.440 . 4.440 2.499 1.936 3.152 . 0 0 "[ . 1 . 2]" 1
598 1 22 LEU MD2 1 95 PHE QE 5.010 . 5.010 2.898 2.361 4.446 . 0 0 "[ . 1 . 2]" 1
599 1 22 LEU MD2 1 125 PHE QE 5.050 . 5.050 2.999 2.494 3.702 . 0 0 "[ . 1 . 2]" 1
600 1 22 LEU MD2 1 89 ASP H 5.070 . 5.070 3.463 2.898 4.505 . 0 0 "[ . 1 . 2]" 1
601 1 22 LEU MD2 1 23 VAL H 5.310 . 5.310 3.760 3.582 3.960 . 0 0 "[ . 1 . 2]" 1
602 1 23 VAL HA 1 24 PRO QD 3.740 . 3.740 2.077 1.881 2.343 . 0 0 "[ . 1 . 2]" 1
603 1 60 GLN HG3 1 70 THR MG 4.900 . 4.900 2.949 2.030 3.710 . 0 0 "[ . 1 . 2]" 1
604 1 23 VAL MG1 1 90 ASP HB2 4.670 . 4.670 3.384 2.002 4.803 0.133 17 0 "[ . 1 . 2]" 1
605 1 23 VAL MG1 1 90 ASP HB3 4.670 . 4.670 3.909 2.893 4.873 0.203 16 0 "[ . 1 . 2]" 1
606 1 23 VAL MG1 1 24 PRO QD 4.190 . 4.190 3.355 3.061 3.669 . 0 0 "[ . 1 . 2]" 1
607 1 23 VAL MG1 1 90 ASP HA 4.260 . 4.260 3.388 2.546 4.286 0.026 9 0 "[ . 1 . 2]" 1
608 1 23 VAL MG1 1 90 ASP H 4.800 . 4.800 3.555 2.810 4.426 . 0 0 "[ . 1 . 2]" 1
609 1 23 VAL MG2 1 24 PRO QD 4.550 . 4.550 3.689 3.361 4.285 . 0 0 "[ . 1 . 2]" 1
610 1 23 VAL MG2 1 90 ASP HA 4.260 . 4.260 3.144 2.473 3.765 . 0 0 "[ . 1 . 2]" 1
611 1 22 LEU HA 1 23 VAL MG2 4.970 . 4.970 3.775 3.536 4.190 . 0 0 "[ . 1 . 2]" 1
612 1 23 VAL MG2 1 89 ASP HA 5.130 . 5.130 2.941 2.361 3.487 . 0 0 "[ . 1 . 2]" 1
613 1 23 VAL MG2 1 90 ASP H 4.870 . 4.870 3.767 2.930 4.397 . 0 0 "[ . 1 . 2]" 1
614 1 23 VAL H 1 23 VAL MG2 4.000 . 4.000 2.123 1.925 2.404 . 0 0 "[ . 1 . 2]" 1
615 1 23 VAL HB 1 24 PRO QD 4.120 . 4.120 2.565 1.970 3.620 . 0 0 "[ . 1 . 2]" 1
616 1 26 ARG HA 1 26 ARG HD2 4.420 . 4.420 3.504 2.105 4.690 0.270 11 0 "[ . 1 . 2]" 1
617 1 26 ARG H 1 26 ARG HG3 5.490 . 5.490 3.473 2.141 4.484 . 0 0 "[ . 1 . 2]" 1
618 1 26 ARG HA 1 26 ARG HD3 4.420 . 4.420 3.375 1.945 4.730 0.310 10 0 "[ . 1 . 2]" 1
619 1 27 GLN HA 1 28 LEU H 3.450 . 3.450 2.173 2.109 2.212 . 0 0 "[ . 1 . 2]" 1
620 1 27 GLN HB2 1 28 LEU H 5.020 . 5.020 3.908 2.855 4.529 . 0 0 "[ . 1 . 2]" 1
621 1 27 GLN H 1 27 GLN HB3 4.340 . 4.340 3.028 2.549 3.642 . 0 0 "[ . 1 . 2]" 1
622 1 28 LEU HB2 1 29 THR H 4.980 . 4.980 4.009 3.828 4.142 . 0 0 "[ . 1 . 2]" 1
623 1 22 LEU MD1 1 68 ILE MD 3.860 . 3.860 2.025 1.851 2.210 . 0 0 "[ . 1 . 2]" 1
624 1 28 LEU MD1 1 71 ILE MD 4.370 . 4.370 3.155 2.762 3.553 . 0 0 "[ . 1 . 2]" 1
625 1 28 LEU MD1 1 86 SER HB2 4.590 . 4.590 2.720 1.840 3.313 . 0 0 "[ . 1 . 2]" 1
626 1 28 LEU MD1 1 86 SER HB3 4.590 . 4.590 2.843 2.247 3.480 . 0 0 "[ . 1 . 2]" 1
627 1 28 LEU HA 1 28 LEU MD1 4.580 . 4.580 3.910 3.861 3.950 . 0 0 "[ . 1 . 2]" 1
628 1 28 LEU MD1 1 32 TYR QE 4.490 . 4.490 2.492 2.058 2.905 . 0 0 "[ . 1 . 2]" 1
629 1 28 LEU MD1 1 33 PHE QD 4.260 . 4.260 2.995 2.097 3.570 . 0 0 "[ . 1 . 2]" 1
630 1 28 LEU H 1 28 LEU MD1 4.830 . 4.830 3.801 3.677 4.168 . 0 0 "[ . 1 . 2]" 1
631 1 28 LEU HA 1 28 LEU MD2 3.940 . 3.940 2.194 2.075 2.308 . 0 0 "[ . 1 . 2]" 1
632 1 28 LEU MD2 1 29 THR H 4.860 . 4.860 3.846 3.670 4.059 . 0 0 "[ . 1 . 2]" 1
633 1 29 THR HA 1 29 THR MG 3.610 . 3.610 2.414 2.362 2.447 . 0 0 "[ . 1 . 2]" 1
634 1 29 THR H 1 29 THR MG 3.810 . 3.810 2.301 2.169 2.470 . 0 0 "[ . 1 . 2]" 1
635 1 29 THR MG 1 31 ASP H 5.020 . 5.020 4.320 4.172 4.505 . 0 0 "[ . 1 . 2]" 1
636 1 29 THR MG 1 30 ALA H 4.420 . 4.420 3.831 3.700 3.930 . 0 0 "[ . 1 . 2]" 1
637 1 30 ALA HA 1 71 ILE MD 5.080 . 5.080 4.245 3.136 4.937 . 0 0 "[ . 1 . 2]" 1
638 1 30 ALA HA 1 33 PHE HB3 4.600 . 4.600 2.681 2.439 2.960 . 0 0 "[ . 1 . 2]" 1
639 1 30 ALA HA 1 34 GLU H 5.240 . 5.240 3.886 3.588 4.131 . 0 0 "[ . 1 . 2]" 1
640 1 29 THR HA 1 30 ALA MB 4.870 . 4.870 4.174 4.135 4.241 . 0 0 "[ . 1 . 2]" 1
641 1 31 ASP HA 1 34 GLU HB2 4.910 . 4.910 3.782 2.582 4.705 . 0 0 "[ . 1 . 2]" 1
642 1 31 ASP HA 1 34 GLU HB3 4.910 . 4.910 3.082 2.534 4.137 . 0 0 "[ . 1 . 2]" 1
643 1 57 ASP HA 1 60 GLN HB2 4.880 . 4.880 3.537 2.529 4.191 . 0 0 "[ . 1 . 2]" 1
644 1 29 THR MG 1 31 ASP QB 5.220 . 5.220 4.057 3.731 4.377 . 0 0 "[ . 1 . 2]" 1
645 1 30 ALA MB 1 31 ASP QB 5.310 . 5.310 4.516 4.373 4.650 . 0 0 "[ . 1 . 2]" 1
646 1 32 TYR HA 1 35 LYS HB3 4.950 . 4.950 3.376 2.161 4.979 0.029 4 0 "[ . 1 . 2]" 1
647 1 32 TYR HA 1 35 LYS H 5.080 . 5.080 3.636 3.438 3.979 . 0 0 "[ . 1 . 2]" 1
648 1 32 TYR HA 1 36 THR H 5.510 . 5.510 4.092 3.909 4.255 . 0 0 "[ . 1 . 2]" 1
649 1 33 PHE HA 1 96 LEU MD2 4.570 . 4.570 2.831 2.581 3.240 . 0 0 "[ . 1 . 2]" 1
650 1 28 LEU MD2 1 33 PHE HA 5.120 . 5.120 5.136 4.788 5.303 0.183 10 0 "[ . 1 . 2]" 1
651 1 33 PHE HA 1 36 THR MG 5.430 . 5.430 4.426 4.026 4.678 . 0 0 "[ . 1 . 2]" 1
652 1 28 LEU MD1 1 33 PHE HA 4.890 . 4.890 3.379 2.973 4.028 . 0 0 "[ . 1 . 2]" 1
653 1 30 ALA HA 1 33 PHE HB2 5.110 . 5.110 3.471 3.107 4.073 . 0 0 "[ . 1 . 2]" 1
654 1 34 GLU HA 1 37 TRP HB3 4.730 . 4.730 2.592 2.224 2.937 . 0 0 "[ . 1 . 2]" 1
655 1 33 PHE QD 1 34 GLU HA 4.480 . 4.480 2.929 2.611 3.211 . 0 0 "[ . 1 . 2]" 1
656 1 34 GLU HA 1 37 TRP HD1 4.920 . 4.920 4.384 3.966 4.727 . 0 0 "[ . 1 . 2]" 1
657 1 34 GLU HA 1 38 LEU H 5.320 . 5.320 4.069 3.708 4.252 . 0 0 "[ . 1 . 2]" 1
658 1 34 GLU H 1 34 GLU HG2 4.700 . 4.700 4.430 2.599 4.650 . 0 0 "[ . 1 . 2]" 1
659 1 34 GLU HG3 1 38 LEU MD1 4.680 . 4.680 3.091 2.498 4.385 . 0 0 "[ . 1 . 2]" 1
660 1 34 GLU HG3 1 35 LYS H 5.230 . 5.230 4.552 3.644 4.963 . 0 0 "[ . 1 . 2]" 1
661 1 35 LYS HA 1 38 LEU H 5.200 . 5.200 3.830 3.385 4.195 . 0 0 "[ . 1 . 2]" 1
662 1 32 TYR HA 1 35 LYS HB2 4.950 . 4.950 3.345 2.861 4.030 . 0 0 "[ . 1 . 2]" 1
663 1 35 LYS H 1 35 LYS HB2 4.060 . 4.060 2.520 2.159 2.714 . 0 0 "[ . 1 . 2]" 1
664 1 35 LYS HB2 1 36 THR H 4.580 . 4.580 3.390 2.408 3.904 . 0 0 "[ . 1 . 2]" 1
665 1 35 LYS HB3 1 36 THR H 4.580 . 4.580 2.801 2.328 3.675 . 0 0 "[ . 1 . 2]" 1
666 1 35 LYS HG2 1 36 THR H 5.780 . 5.780 4.147 3.320 5.322 . 0 0 "[ . 1 . 2]" 1
667 1 35 LYS HG3 1 36 THR H 5.780 . 5.780 4.441 3.044 5.129 . 0 0 "[ . 1 . 2]" 1
668 1 35 LYS HA 1 35 LYS QD 4.680 . 4.680 3.933 2.115 4.383 . 0 0 "[ . 1 . 2]" 1
669 1 35 LYS QD 1 36 THR H 5.780 . 5.780 4.548 4.083 5.298 . 0 0 "[ . 1 . 2]" 1
670 1 32 TYR HA 1 35 LYS QE 5.150 . 5.150 3.893 2.033 5.374 0.224 13 0 "[ . 1 . 2]" 1
671 1 36 THR MG 1 40 LEU MD1 3.680 . 3.680 2.092 1.925 2.473 . 0 0 "[ . 1 . 2]" 1
672 1 34 GLU HA 1 37 TRP HB2 5.060 . 5.060 3.381 2.925 3.919 . 0 0 "[ . 1 . 2]" 1
673 1 33 PHE QD 1 37 TRP HB2 5.130 . 5.130 3.312 2.790 3.984 . 0 0 "[ . 1 . 2]" 1
674 1 37 TRP HB2 1 38 LEU H 4.910 . 4.910 3.802 3.688 3.870 . 0 0 "[ . 1 . 2]" 1
675 1 35 LYS HA 1 38 LEU HB3 5.270 . 5.270 4.986 4.595 5.334 0.064 11 0 "[ . 1 . 2]" 1
676 1 38 LEU HA 1 38 LEU MD2 3.360 . 3.360 2.098 2.017 2.194 . 0 0 "[ . 1 . 2]" 1
677 1 38 LEU H 1 38 LEU MD2 4.660 . 4.660 3.312 3.129 3.443 . 0 0 "[ . 1 . 2]" 1
678 1 40 LEU MD1 1 115 ASN HB2 5.090 . 5.090 3.020 2.243 3.975 . 0 0 "[ . 1 . 2]" 1
679 1 40 LEU MD1 1 115 ASN HB3 5.090 . 5.090 3.740 2.238 4.505 . 0 0 "[ . 1 . 2]" 1
680 1 40 LEU HA 1 40 LEU MD1 4.770 . 4.770 3.932 3.875 3.994 . 0 0 "[ . 1 . 2]" 1
681 1 40 LEU HA 1 40 LEU MD2 3.640 . 3.640 2.106 2.018 2.228 . 0 0 "[ . 1 . 2]" 1
682 1 41 LYS HA 1 41 LYS QD 4.810 . 4.810 3.726 2.023 4.350 . 0 0 "[ . 1 . 2]" 1
683 1 40 LEU HA 1 41 LYS QG 5.300 . 5.300 3.732 3.428 5.690 0.390 5 0 "[ . 1 . 2]" 1
684 1 41 LYS QD 1 42 VAL H 5.240 . 5.240 4.628 3.609 5.414 0.174 17 0 "[ . 1 . 2]" 1
685 1 42 VAL HA 1 113 LYS HB3 5.780 . 5.780 3.188 1.714 4.301 . 0 0 "[ . 1 . 2]" 1
686 1 42 VAL HA 1 113 LYS HB2 5.780 . 5.780 3.203 2.041 4.791 . 0 0 "[ . 1 . 2]" 1
687 1 42 VAL HA 1 113 LYS HA 5.240 . 5.240 3.429 2.654 3.788 . 0 0 "[ . 1 . 2]" 1
688 1 42 VAL MG1 1 45 GLN HB2 4.620 . 4.620 2.157 1.855 2.372 . 0 0 "[ . 1 . 2]" 1
689 1 42 VAL MG1 1 45 GLN HG3 4.920 . 4.920 3.937 3.308 4.921 0.001 4 0 "[ . 1 . 2]" 1
690 1 42 VAL MG1 1 43 ALA HA 5.330 . 5.330 4.188 4.076 4.322 . 0 0 "[ . 1 . 2]" 1
691 1 42 VAL MG1 1 111 SER HA 4.750 . 4.750 3.310 2.787 3.836 . 0 0 "[ . 1 . 2]" 1
692 1 42 VAL MG1 1 45 GLN HA 5.220 . 5.220 3.688 3.355 4.003 . 0 0 "[ . 1 . 2]" 1
693 1 42 VAL MG1 1 44 HIS H 3.960 . 3.960 2.758 2.510 2.986 . 0 0 "[ . 1 . 2]" 1
694 1 42 VAL MG2 1 113 LYS HE3 4.740 . 4.740 2.974 2.182 4.670 . 0 0 "[ . 1 . 2]" 1
695 1 41 LYS HA 1 42 VAL MG2 5.150 . 5.150 3.609 3.463 3.757 . 0 0 "[ . 1 . 2]" 1
696 1 42 VAL MG2 1 43 ALA H 4.900 . 4.900 4.132 4.052 4.200 . 0 0 "[ . 1 . 2]" 1
697 1 42 VAL HA 1 43 ALA MB 4.990 . 4.990 4.003 3.970 4.052 . 0 0 "[ . 1 . 2]" 1
698 1 43 ALA MB 1 113 LYS HA 4.530 . 4.530 2.396 1.949 2.912 . 0 0 "[ . 1 . 2]" 1
699 1 43 ALA MB 1 44 HIS H 4.250 . 4.250 2.448 2.360 2.665 . 0 0 "[ . 1 . 2]" 1
700 1 44 HIS HB2 1 122 LEU MD1 4.820 . 4.820 2.498 2.144 2.918 . 0 0 "[ . 1 . 2]" 1
701 1 44 HIS HB3 1 122 LEU MD1 4.820 . 4.820 2.140 1.976 2.546 . 0 0 "[ . 1 . 2]" 1
702 1 42 VAL MG1 1 45 GLN HB3 4.620 . 4.620 3.289 2.901 3.775 . 0 0 "[ . 1 . 2]" 1
703 1 47 VAL MG1 1 107 GLU QB 4.810 . 4.810 2.754 1.991 3.963 . 0 0 "[ . 1 . 2]" 1
704 1 42 VAL MG1 1 45 GLN HG2 4.920 . 4.920 4.600 4.272 4.843 . 0 0 "[ . 1 . 2]" 1
705 1 46 GLN HG2 1 47 VAL H 5.210 . 5.210 3.815 2.798 5.216 0.006 17 0 "[ . 1 . 2]" 1
706 1 46 GLN HG3 1 47 VAL H 5.210 . 5.210 3.551 2.896 5.258 0.048 12 0 "[ . 1 . 2]" 1
707 1 47 VAL HA 1 109 GLN HA 4.280 . 4.280 2.337 2.137 2.546 . 0 0 "[ . 1 . 2]" 1
708 1 47 VAL HB 1 48 LEU H 4.440 . 4.440 4.143 3.963 4.308 . 0 0 "[ . 1 . 2]" 1
709 1 47 VAL MG1 1 107 GLU HG2 4.250 . 4.250 3.012 2.252 4.238 . 0 0 "[ . 1 . 2]" 1
710 1 47 VAL MG1 1 107 GLU HG3 4.250 . 4.250 3.398 2.133 4.299 0.049 7 0 "[ . 1 . 2]" 1
711 1 47 VAL MG1 1 109 GLN HG2 4.510 . 4.510 3.050 2.166 4.585 0.075 2 0 "[ . 1 . 2]" 1
712 1 47 VAL MG1 1 109 GLN HG3 4.510 . 4.510 3.383 2.539 4.466 . 0 0 "[ . 1 . 2]" 1
713 1 47 VAL MG1 1 109 GLN HA 4.210 . 4.210 3.096 2.335 3.910 . 0 0 "[ . 1 . 2]" 1
714 1 47 VAL HA 1 47 VAL MG1 3.720 . 3.720 2.439 2.384 2.503 . 0 0 "[ . 1 . 2]" 1
715 1 47 VAL H 1 47 VAL MG1 4.430 . 4.430 3.876 3.820 3.962 . 0 0 "[ . 1 . 2]" 1
716 1 47 VAL MG1 1 48 LEU H 4.040 . 4.040 2.675 2.399 2.886 . 0 0 "[ . 1 . 2]" 1
717 1 47 VAL MG1 1 108 MET H 5.060 . 5.060 3.372 2.929 4.210 . 0 0 "[ . 1 . 2]" 1
718 1 47 VAL MG2 1 109 GLN HG2 4.710 . 4.710 2.175 1.809 3.467 . 0 0 "[ . 1 . 2]" 1
719 1 47 VAL MG2 1 109 GLN HG3 4.710 . 4.710 3.302 1.930 3.842 . 0 0 "[ . 1 . 2]" 1
720 1 46 GLN HA 1 47 VAL MG2 4.810 . 4.810 3.571 3.321 3.765 . 0 0 "[ . 1 . 2]" 1
721 1 47 VAL MG2 1 109 GLN HA 4.430 . 4.430 2.641 2.212 3.277 . 0 0 "[ . 1 . 2]" 1
722 1 47 VAL MG2 1 48 LEU H 4.630 . 4.630 4.146 4.010 4.287 . 0 0 "[ . 1 . 2]" 1
723 1 48 LEU HB3 1 110 ILE MD 4.850 . 4.850 4.027 3.588 4.889 0.039 14 0 "[ . 1 . 2]" 1
724 1 48 LEU HB3 1 49 PRO HD2 5.130 . 5.130 2.843 2.382 3.199 . 0 0 "[ . 1 . 2]" 1
725 1 48 LEU HB3 1 49 PRO HD3 5.290 . 5.290 4.084 3.701 4.398 . 0 0 "[ . 1 . 2]" 1
726 1 48 LEU HB2 1 49 PRO HD2 4.690 . 4.690 4.250 3.940 4.471 . 0 0 "[ . 1 . 2]" 1
727 1 48 LEU HG 1 110 ILE MD 4.760 . 4.760 2.804 2.164 4.388 . 0 0 "[ . 1 . 2]" 1
728 1 48 LEU HG 1 49 PRO HD2 5.350 . 5.350 4.636 3.186 5.108 . 0 0 "[ . 1 . 2]" 1
729 1 48 LEU H 1 48 LEU HG 5.120 . 5.120 3.407 3.011 4.145 . 0 0 "[ . 1 . 2]" 1
730 1 48 LEU MD1 1 49 PRO HD2 4.500 . 4.500 4.562 4.382 4.724 0.224 1 0 "[ . 1 . 2]" 1
731 1 48 LEU H 1 48 LEU MD1 5.130 . 5.130 3.932 2.753 4.355 . 0 0 "[ . 1 . 2]" 1
732 1 48 LEU MD2 1 49 PRO HD2 4.180 . 4.180 3.046 2.696 3.450 . 0 0 "[ . 1 . 2]" 1
733 1 48 LEU MD2 1 49 PRO HD3 4.620 . 4.620 3.818 3.413 4.777 0.157 14 0 "[ . 1 . 2]" 1
734 1 48 LEU HA 1 48 LEU MD2 3.730 . 3.730 2.377 1.975 3.736 0.006 3 0 "[ . 1 . 2]" 1
735 1 48 LEU H 1 48 LEU MD2 5.060 . 5.060 3.994 3.724 4.566 . 0 0 "[ . 1 . 2]" 1
736 1 49 PRO HB2 1 50 TRP H 4.680 . 4.680 3.731 2.551 4.161 . 0 0 "[ . 1 . 2]" 1
737 1 48 LEU HA 1 49 PRO HD2 3.920 . 3.920 2.339 2.105 2.529 . 0 0 "[ . 1 . 2]" 1
738 1 48 LEU HB2 1 49 PRO HD3 5.170 . 5.170 5.035 4.858 5.183 0.013 5 0 "[ . 1 . 2]" 1
739 1 48 LEU HA 1 49 PRO HD3 3.780 . 3.780 2.380 2.257 2.480 . 0 0 "[ . 1 . 2]" 1
740 1 50 TRP HA 1 51 ARG H 3.740 . 3.740 2.223 2.123 2.412 . 0 0 "[ . 1 . 2]" 1
741 1 51 ARG H 1 51 ARG HG2 5.190 . 5.190 3.979 2.097 4.729 . 0 0 "[ . 1 . 2]" 1
742 1 51 ARG H 1 51 ARG HG3 5.190 . 5.190 4.104 2.324 5.081 . 0 0 "[ . 1 . 2]" 1
743 1 54 PHE HB3 1 55 HIS H 5.600 . 5.600 4.099 3.716 4.422 . 0 0 "[ . 1 . 2]" 1
744 1 55 HIS HA 1 56 PRO HD2 4.060 . 4.060 2.264 2.047 2.814 . 0 0 "[ . 1 . 2]" 1
745 1 55 HIS HA 1 56 PRO HD3 4.060 . 4.060 2.579 2.213 2.872 . 0 0 "[ . 1 . 2]" 1
746 1 56 PRO HG2 1 81 TRP HE1 5.260 . 5.260 4.531 2.916 5.320 0.060 11 0 "[ . 1 . 2]" 1
747 1 57 ASP HB2 1 58 THR H 4.990 . 4.990 2.513 2.292 2.771 . 0 0 "[ . 1 . 2]" 1
748 1 58 THR HA 1 61 MET QB 4.420 . 4.420 2.932 2.620 3.234 . 0 0 "[ . 1 . 2]" 1
749 1 58 THR HA 1 61 MET H 4.810 . 4.810 3.748 3.399 4.042 . 0 0 "[ . 1 . 2]" 1
750 1 98 GLU H 1 111 SER HB2 5.780 . 5.780 3.653 2.548 4.745 . 0 0 "[ . 1 . 2]" 1
751 1 55 HIS HB2 1 58 THR HB 5.100 . 5.100 2.514 2.187 2.867 . 0 0 "[ . 1 . 2]" 1
752 1 55 HIS HB3 1 58 THR HB 5.100 . 5.100 2.595 1.844 3.917 . 0 0 "[ . 1 . 2]" 1
753 1 58 THR HA 1 58 THR MG 3.710 . 3.710 2.423 2.367 2.475 . 0 0 "[ . 1 . 2]" 1
754 1 58 THR H 1 58 THR MG 4.440 . 4.440 3.796 3.771 3.823 . 0 0 "[ . 1 . 2]" 1
755 1 119 THR MG 1 123 ASN HD21 4.680 . 4.680 2.791 2.130 4.752 0.072 4 0 "[ . 1 . 2]" 1
756 1 58 THR MG 1 62 ALA H 5.210 . 5.210 4.379 4.221 4.555 . 0 0 "[ . 1 . 2]" 1
757 1 59 LEU HA 1 62 ALA H 4.900 . 4.900 3.796 3.653 4.106 . 0 0 "[ . 1 . 2]" 1
758 1 108 MET QG 1 110 ILE HG13 4.680 . 4.680 3.020 2.458 3.379 . 0 0 "[ . 1 . 2]" 1
759 1 22 LEU MD2 1 89 ASP HB2 4.410 . 4.410 3.000 2.568 3.943 . 0 0 "[ . 1 . 2]" 1
760 1 59 LEU HA 1 59 LEU MD1 3.650 . 3.650 2.182 2.097 2.264 . 0 0 "[ . 1 . 2]" 1
761 1 59 LEU H 1 59 LEU MD1 5.090 . 5.090 4.166 4.098 4.257 . 0 0 "[ . 1 . 2]" 1
762 1 56 PRO HA 1 59 LEU MD2 5.420 . 5.420 3.100 2.714 3.762 . 0 0 "[ . 1 . 2]" 1
763 1 59 LEU H 1 59 LEU MD2 5.230 . 5.230 4.299 4.216 4.387 . 0 0 "[ . 1 . 2]" 1
764 1 60 GLN HA 1 63 LEU MD1 4.510 . 4.510 1.913 1.675 2.112 . 0 0 "[ . 1 . 2]" 1
765 1 60 GLN HB2 1 61 MET H 4.710 . 4.710 3.666 2.707 3.913 . 0 0 "[ . 1 . 2]" 1
766 1 57 ASP HA 1 60 GLN HB3 4.880 . 4.880 3.209 2.692 4.921 0.041 20 0 "[ . 1 . 2]" 1
767 1 60 GLN HG2 1 70 THR MG 4.900 . 4.900 3.629 2.273 4.812 . 0 0 "[ . 1 . 2]" 1
768 1 60 GLN HG2 1 70 THR HB 4.830 . 4.830 4.116 3.262 4.871 0.041 7 0 "[ . 1 . 2]" 1
769 1 60 GLN HG2 1 70 THR HG1 5.010 . 5.010 3.939 2.621 4.945 . 0 0 "[ . 1 . 2]" 1
770 1 60 GLN HG3 1 70 THR HB 4.830 . 4.830 3.780 2.737 4.907 0.077 20 0 "[ . 1 . 2]" 1
771 1 60 GLN HG3 1 70 THR HG1 5.010 . 5.010 3.858 2.401 5.092 0.082 17 0 "[ . 1 . 2]" 1
772 1 61 MET H 1 61 MET HG2 4.430 . 4.430 3.498 2.216 3.661 . 0 0 "[ . 1 . 2]" 1
773 1 61 MET H 1 61 MET HG3 4.430 . 4.430 2.447 2.214 3.668 . 0 0 "[ . 1 . 2]" 1
774 1 21 MET ME 1 23 VAL MG2 5.110 . 5.110 4.717 3.894 5.248 0.138 16 0 "[ . 1 . 2]" 1
775 1 21 MET ME 1 23 VAL MG1 5.020 . 5.020 2.729 2.061 3.615 . 0 0 "[ . 1 . 2]" 1
776 1 58 THR HA 1 61 MET ME 5.130 . 5.130 3.391 1.981 4.989 . 0 0 "[ . 1 . 2]" 1
777 1 62 ALA HA 1 132 VAL MG1 5.050 . 5.050 4.189 3.959 4.433 . 0 0 "[ . 1 . 2]" 1
778 1 62 ALA HA 1 65 VAL HB 4.640 . 4.640 2.971 2.773 3.339 . 0 0 "[ . 1 . 2]" 1
779 1 62 ALA HA 1 65 VAL H 5.070 . 5.070 3.353 3.194 3.567 . 0 0 "[ . 1 . 2]" 1
780 1 62 ALA MB 1 132 VAL MG1 3.320 . 3.320 1.974 1.853 2.410 . 0 0 "[ . 1 . 2]" 1
781 1 59 LEU MD1 1 62 ALA MB 4.040 . 4.040 3.367 3.014 3.822 . 0 0 "[ . 1 . 2]" 1
782 1 62 ALA H 1 62 ALA MB 3.520 . 3.520 2.255 2.237 2.276 . 0 0 "[ . 1 . 2]" 1
783 1 63 LEU HB3 1 68 ILE HB 4.950 . 4.950 2.053 1.746 2.406 . 0 0 "[ . 1 . 2]" 1
784 1 59 LEU MD1 1 63 LEU HG 4.250 . 4.250 2.955 2.631 3.399 . 0 0 "[ . 1 . 2]" 1
785 1 63 LEU MD2 1 132 VAL HB 4.940 . 4.940 3.497 3.099 4.136 . 0 0 "[ . 1 . 2]" 1
786 1 63 LEU MD2 1 129 LEU HA 5.160 . 5.160 4.074 3.341 5.074 . 0 0 "[ . 1 . 2]" 1
787 1 63 LEU HA 1 63 LEU MD2 3.710 . 3.710 2.118 2.044 2.168 . 0 0 "[ . 1 . 2]" 1
788 1 63 LEU H 1 63 LEU MD2 4.590 . 4.590 3.497 3.321 3.662 . 0 0 "[ . 1 . 2]" 1
789 1 64 GLN HB2 1 65 VAL H 5.050 . 5.050 3.056 2.547 4.073 . 0 0 "[ . 1 . 2]" 1
790 1 64 GLN HB3 1 65 VAL H 5.050 . 5.050 3.532 2.708 3.909 . 0 0 "[ . 1 . 2]" 1
791 1 64 GLN H 1 64 GLN HG2 5.380 . 5.380 3.431 2.007 4.630 . 0 0 "[ . 1 . 2]" 1
792 1 64 GLN H 1 64 GLN HG3 5.380 . 5.380 3.247 2.032 4.549 . 0 0 "[ . 1 . 2]" 1
793 1 65 VAL HB 1 66 VAL MG1 4.990 . 4.990 2.960 2.738 3.168 . 0 0 "[ . 1 . 2]" 1
794 1 65 VAL HA 1 65 VAL MG1 3.650 . 3.650 2.498 2.451 2.536 . 0 0 "[ . 1 . 2]" 1
795 1 62 ALA HA 1 65 VAL MG1 5.050 . 5.050 4.223 4.087 4.529 . 0 0 "[ . 1 . 2]" 1
796 1 65 VAL H 1 65 VAL MG1 4.250 . 4.250 3.813 3.789 3.840 . 0 0 "[ . 1 . 2]" 1
797 1 65 VAL HA 1 65 VAL MG2 3.380 . 3.380 2.453 2.420 2.496 . 0 0 "[ . 1 . 2]" 1
798 1 62 ALA HA 1 65 VAL MG2 3.740 . 3.740 2.631 2.197 2.960 . 0 0 "[ . 1 . 2]" 1
799 1 65 VAL MG2 1 66 VAL H 4.360 . 4.360 3.966 3.881 4.037 . 0 0 "[ . 1 . 2]" 1
800 1 65 VAL H 1 65 VAL MG2 3.410 . 3.410 2.102 1.982 2.205 . 0 0 "[ . 1 . 2]" 1
801 1 44 HIS H 1 112 VAL MG1 5.120 . 5.120 4.006 3.512 4.450 . 0 0 "[ . 1 . 2]" 1
802 1 64 GLN H 1 65 VAL MG2 5.640 . 5.640 4.223 3.915 4.376 . 0 0 "[ . 1 . 2]" 1
803 1 66 VAL HA 1 66 VAL MG1 3.490 . 3.490 2.389 2.335 2.443 . 0 0 "[ . 1 . 2]" 1
804 1 66 VAL H 1 66 VAL MG1 4.080 . 4.080 2.703 2.569 2.880 . 0 0 "[ . 1 . 2]" 1
805 1 63 LEU HA 1 66 VAL MG2 3.940 . 3.940 2.059 1.922 2.233 . 0 0 "[ . 1 . 2]" 1
806 1 63 LEU MD2 1 68 ILE HB 4.770 . 4.770 2.491 2.116 2.868 . 0 0 "[ . 1 . 2]" 1
807 1 68 ILE MG 1 125 PHE HZ 5.590 . 5.590 3.449 3.126 3.913 . 0 0 "[ . 1 . 2]" 1
808 1 68 ILE MD 1 68 ILE MG 3.400 . 3.400 2.087 2.051 2.133 . 0 0 "[ . 1 . 2]" 1
809 1 68 ILE MD 1 87 ALA MB 3.930 . 3.930 2.064 1.915 2.501 . 0 0 "[ . 1 . 2]" 1
810 1 63 LEU HA 1 68 ILE MD 5.190 . 5.190 4.958 4.741 5.131 . 0 0 "[ . 1 . 2]" 1
811 1 68 ILE MD 1 125 PHE QE 4.340 . 4.340 2.201 1.862 2.529 . 0 0 "[ . 1 . 2]" 1
812 1 68 ILE H 1 68 ILE MD 5.010 . 5.010 3.520 3.289 3.670 . 0 0 "[ . 1 . 2]" 1
813 1 69 GLN H 1 69 GLN HG3 4.960 . 4.960 4.418 3.084 4.616 . 0 0 "[ . 1 . 2]" 1
814 1 70 THR MG 1 73 MET HB2 4.530 . 4.530 2.360 2.100 2.718 . 0 0 "[ . 1 . 2]" 1
815 1 70 THR MG 1 84 TYR H 5.040 . 5.040 4.070 3.601 4.721 . 0 0 "[ . 1 . 2]" 1
816 1 23 VAL H 1 23 VAL MG1 4.280 . 4.280 2.722 2.390 3.019 . 0 0 "[ . 1 . 2]" 1
817 1 70 THR MG 1 71 ILE H 4.370 . 4.370 3.155 3.009 3.289 . 0 0 "[ . 1 . 2]" 1
818 1 71 ILE HB 1 84 TYR QB 4.790 . 4.790 2.350 2.021 2.521 . 0 0 "[ . 1 . 2]" 1
819 1 71 ILE HB 1 72 ALA HA 5.170 . 5.170 4.756 4.571 4.958 . 0 0 "[ . 1 . 2]" 1
820 1 30 ALA MB 1 71 ILE MG 3.870 . 3.870 2.852 2.465 3.721 . 0 0 "[ . 1 . 2]" 1
821 1 71 ILE MG 1 84 TYR QB 4.560 . 4.560 2.912 2.382 3.206 . 0 0 "[ . 1 . 2]" 1
822 1 33 PHE HB2 1 71 ILE MG 4.920 . 4.920 2.525 1.830 3.285 . 0 0 "[ . 1 . 2]" 1
823 1 33 PHE HB3 1 71 ILE MG 5.060 . 5.060 2.631 2.383 2.968 . 0 0 "[ . 1 . 2]" 1
824 1 30 ALA HA 1 71 ILE MG 4.000 . 4.000 2.319 1.940 3.036 . 0 0 "[ . 1 . 2]" 1
825 1 33 PHE QD 1 71 ILE MG 5.080 . 5.080 2.968 2.477 3.295 . 0 0 "[ . 1 . 2]" 1
826 1 30 ALA MB 1 71 ILE MD 5.170 . 5.170 4.854 4.010 5.398 0.228 5 0 "[ . 1 . 2]" 1
827 1 28 LEU HB2 1 71 ILE MD 4.500 . 4.500 2.104 1.856 2.466 . 0 0 "[ . 1 . 2]" 1
828 1 28 LEU HB3 1 71 ILE MD 4.870 . 4.870 3.436 3.059 3.831 . 0 0 "[ . 1 . 2]" 1
829 1 28 LEU HG 1 71 ILE MD 5.280 . 5.280 3.401 2.840 3.993 . 0 0 "[ . 1 . 2]" 1
830 1 71 ILE MD 1 84 TYR QB 5.230 . 5.230 4.591 4.116 4.870 . 0 0 "[ . 1 . 2]" 1
831 1 33 PHE HB2 1 71 ILE MD 4.910 . 4.910 3.112 2.060 3.951 . 0 0 "[ . 1 . 2]" 1
832 1 33 PHE HB3 1 71 ILE MD 5.060 . 5.060 4.233 3.063 5.212 0.152 3 0 "[ . 1 . 2]" 1
833 1 71 ILE HA 1 71 ILE MD 3.720 . 3.720 2.172 2.059 2.328 . 0 0 "[ . 1 . 2]" 1
834 1 71 ILE MD 1 86 SER HB3 4.670 . 4.670 2.746 1.853 3.351 . 0 0 "[ . 1 . 2]" 1
835 1 33 PHE QD 1 71 ILE MD 4.480 . 4.480 3.085 2.725 3.431 . 0 0 "[ . 1 . 2]" 1
836 1 33 PHE QE 1 71 ILE MD 5.290 . 5.290 4.312 3.989 4.647 . 0 0 "[ . 1 . 2]" 1
837 1 69 GLN HE22 1 71 ILE MD 4.900 . 4.900 2.898 1.598 4.921 0.021 14 0 "[ . 1 . 2]" 1
838 1 69 GLN HE21 1 71 ILE MD 5.150 . 5.150 2.558 1.717 4.139 . 0 0 "[ . 1 . 2]" 1
839 1 71 ILE H 1 71 ILE MD 4.880 . 4.880 3.377 3.051 3.692 . 0 0 "[ . 1 . 2]" 1
840 1 71 ILE MG 1 72 ALA MB 3.930 . 3.930 2.837 2.470 3.215 . 0 0 "[ . 1 . 2]" 1
841 1 72 ALA MB 1 84 TYR QB 4.110 . 4.110 2.156 1.908 2.449 . 0 0 "[ . 1 . 2]" 1
842 1 72 ALA MB 1 73 MET H 3.890 . 3.890 2.645 2.510 2.827 . 0 0 "[ . 1 . 2]" 1
843 1 70 THR MG 1 73 MET HB3 4.530 . 4.530 3.150 2.749 3.506 . 0 0 "[ . 1 . 2]" 1
844 1 73 MET HB3 1 83 ALA HA 5.510 . 5.510 5.128 4.889 5.435 . 0 0 "[ . 1 . 2]" 1
845 1 73 MET HB2 1 83 ALA HA 5.510 . 5.510 4.075 3.744 4.576 . 0 0 "[ . 1 . 2]" 1
846 1 73 MET HG2 1 83 ALA MB 4.290 . 4.290 4.075 3.778 4.374 0.084 18 0 "[ . 1 . 2]" 1
847 1 73 MET HG3 1 83 ALA MB 4.290 . 4.290 2.696 2.256 4.076 . 0 0 "[ . 1 . 2]" 1
848 1 70 THR MG 1 73 MET ME 3.350 . 3.350 2.082 1.828 2.493 . 0 0 "[ . 1 . 2]" 1
849 1 73 MET ME 1 83 ALA MB 3.810 . 3.810 2.552 2.178 3.277 . 0 0 "[ . 1 . 2]" 1
850 1 59 LEU MD2 1 73 MET ME 3.890 . 3.890 2.655 1.724 3.577 . 0 0 "[ . 1 . 2]" 1
851 1 73 MET ME 1 85 LEU MD2 3.980 . 3.980 2.791 2.113 3.602 . 0 0 "[ . 1 . 2]" 1
852 1 63 LEU MD1 1 73 MET ME 4.130 . 4.130 2.612 2.216 3.476 . 0 0 "[ . 1 . 2]" 1
853 1 60 GLN HA 1 73 MET ME 4.420 . 4.420 2.919 2.512 3.865 . 0 0 "[ . 1 . 2]" 1
854 1 70 THR HA 1 73 MET ME 4.920 . 4.920 4.505 3.894 4.870 . 0 0 "[ . 1 . 2]" 1
855 1 70 THR HG1 1 73 MET ME 4.890 . 4.890 4.152 3.600 4.688 . 0 0 "[ . 1 . 2]" 1
856 1 73 MET ME 1 81 TRP HH2 4.180 . 4.180 2.880 2.176 3.593 . 0 0 "[ . 1 . 2]" 1
857 1 73 MET ME 1 81 TRP HZ2 4.300 . 4.300 2.458 1.958 3.474 . 0 0 "[ . 1 . 2]" 1
858 1 60 GLN H 1 73 MET ME 4.680 . 4.680 3.492 2.975 3.900 . 0 0 "[ . 1 . 2]" 1
859 1 74 SER HB2 1 75 ARG H 4.900 . 4.900 3.547 3.232 3.878 . 0 0 "[ . 1 . 2]" 1
860 1 75 ARG HA 1 75 ARG QG 4.010 . 4.010 2.528 2.381 3.108 . 0 0 "[ . 1 . 2]" 1
861 1 75 ARG HB2 1 76 ALA H 5.130 . 5.130 3.913 3.556 4.272 . 0 0 "[ . 1 . 2]" 1
862 1 75 ARG H 1 75 ARG QG 4.300 . 4.300 2.996 2.124 4.074 . 0 0 "[ . 1 . 2]" 1
863 1 75 ARG H 1 78 SER HB2 5.220 . 5.220 3.402 2.421 4.574 . 0 0 "[ . 1 . 2]" 1
864 1 75 ARG H 1 78 SER HB3 5.220 . 5.220 3.552 2.569 4.330 . 0 0 "[ . 1 . 2]" 1
865 1 26 ARG H 1 26 ARG HG2 5.490 . 5.490 3.254 2.093 4.486 . 0 0 "[ . 1 . 2]" 1
866 1 79 ARG HA 1 79 ARG HD2 4.960 . 4.960 4.065 2.926 4.928 . 0 0 "[ . 1 . 2]" 1
867 1 79 ARG HA 1 79 ARG HD3 4.960 . 4.960 4.087 2.721 4.728 . 0 0 "[ . 1 . 2]" 1
868 1 79 ARG HG2 1 80 PRO HA 5.110 . 5.110 4.001 3.346 4.751 . 0 0 "[ . 1 . 2]" 1
869 1 79 ARG HG3 1 80 PRO HA 5.110 . 5.110 3.990 2.803 5.024 . 0 0 "[ . 1 . 2]" 1
870 1 80 PRO HG3 1 100 LEU QD 4.620 . 4.620 3.682 2.994 4.159 . 0 0 "[ . 1 . 2]" 1
871 1 82 LYS QB 1 100 LEU QD 4.920 . 4.920 2.774 1.849 4.314 . 0 0 "[ . 1 . 2]" 1
872 1 82 LYS QD 1 100 LEU QD 4.380 . 4.380 3.285 2.023 4.458 0.078 13 0 "[ . 1 . 2]" 1
873 1 83 ALA MB 1 99 LEU HG 4.500 . 4.500 3.337 2.803 3.734 . 0 0 "[ . 1 . 2]" 1
874 1 83 ALA MB 1 99 LEU QB 4.000 . 4.000 2.167 1.863 2.615 . 0 0 "[ . 1 . 2]" 1
875 1 73 MET HA 1 83 ALA MB 4.650 . 4.650 2.506 2.144 2.798 . 0 0 "[ . 1 . 2]" 1
876 1 82 LYS HA 1 83 ALA MB 5.310 . 5.310 3.989 3.819 4.159 . 0 0 "[ . 1 . 2]" 1
877 1 83 ALA MB 1 84 TYR HA 5.370 . 5.370 4.122 4.003 4.209 . 0 0 "[ . 1 . 2]" 1
878 1 81 TRP HZ3 1 83 ALA MB 4.950 . 4.950 3.297 2.819 3.812 . 0 0 "[ . 1 . 2]" 1
879 1 84 TYR HA 1 98 GLU HA 4.880 . 4.880 2.728 2.496 2.877 . 0 0 "[ . 1 . 2]" 1
880 1 70 THR HA 1 85 LEU HA 4.550 . 4.550 2.620 2.364 3.079 . 0 0 "[ . 1 . 2]" 1
881 1 71 ILE H 1 85 LEU HA 4.810 . 4.810 2.569 2.322 2.791 . 0 0 "[ . 1 . 2]" 1
882 1 85 LEU HG 1 97 THR HB 4.920 . 4.920 3.566 3.232 3.828 . 0 0 "[ . 1 . 2]" 1
883 1 70 THR HA 1 85 LEU MD2 3.820 . 3.820 2.211 2.035 2.441 . 0 0 "[ . 1 . 2]" 1
884 1 70 THR HG1 1 85 LEU MD2 4.960 . 4.960 3.020 2.517 3.545 . 0 0 "[ . 1 . 2]" 1
885 1 85 LEU HA 1 85 LEU MD2 3.970 . 3.970 2.216 2.132 2.294 . 0 0 "[ . 1 . 2]" 1
886 1 71 ILE H 1 85 LEU MD2 4.690 . 4.690 3.122 2.843 3.395 . 0 0 "[ . 1 . 2]" 1
887 1 68 ILE MG 1 86 SER HA 5.760 . 5.760 4.340 3.863 4.607 . 0 0 "[ . 1 . 2]" 1
888 1 71 ILE MD 1 86 SER HB2 4.670 . 4.670 3.013 1.786 3.840 . 0 0 "[ . 1 . 2]" 1
889 1 86 SER HB2 1 87 ALA H 4.820 . 4.820 3.484 2.642 4.027 . 0 0 "[ . 1 . 2]" 1
890 1 68 ILE MG 1 87 ALA MB 3.750 . 3.750 3.007 2.557 3.362 . 0 0 "[ . 1 . 2]" 1
891 1 22 LEU MD1 1 87 ALA MB 3.780 . 3.780 2.916 2.160 3.789 0.009 16 0 "[ . 1 . 2]" 1
892 1 68 ILE HA 1 87 ALA MB 4.150 . 4.150 2.584 1.873 3.131 . 0 0 "[ . 1 . 2]" 1
893 1 87 ALA MB 1 95 PHE QD 4.450 . 4.450 2.845 2.154 3.985 . 0 0 "[ . 1 . 2]" 1
894 1 87 ALA MB 1 125 PHE QE 4.120 . 4.120 2.199 1.777 2.826 . 0 0 "[ . 1 . 2]" 1
895 1 87 ALA MB 1 88 GLN H 4.270 . 4.270 2.444 2.273 3.027 . 0 0 "[ . 1 . 2]" 1
896 1 88 GLN HA 1 94 LEU HA 4.650 . 4.650 2.780 2.515 3.101 . 0 0 "[ . 1 . 2]" 1
897 1 23 VAL MG2 1 89 ASP HB3 5.780 . 5.780 5.191 4.707 5.618 . 0 0 "[ . 1 . 2]" 1
898 1 89 ASP HB3 1 90 ASP H 4.570 . 4.570 3.756 3.579 3.887 . 0 0 "[ . 1 . 2]" 1
899 1 91 THR HA 1 91 THR MG 3.620 . 3.620 2.476 2.273 2.530 . 0 0 "[ . 1 . 2]" 1
900 1 91 THR H 1 91 THR MG 3.910 . 3.910 2.390 2.157 3.211 . 0 0 "[ . 1 . 2]" 1
901 1 93 CYS HA 1 94 LEU QB 5.300 . 5.300 4.020 3.858 4.180 . 0 0 "[ . 1 . 2]" 1
902 1 94 LEU QB 1 115 ASN HD22 4.980 . 4.980 4.306 2.870 4.847 . 0 0 "[ . 1 . 2]" 1
903 1 94 LEU MD1 1 96 LEU HG 4.560 . 4.560 2.395 2.134 2.893 . 0 0 "[ . 1 . 2]" 1
904 1 94 LEU HA 1 94 LEU MD1 4.330 . 4.330 2.847 2.469 3.057 . 0 0 "[ . 1 . 2]" 1
905 1 88 GLN HA 1 94 LEU MD1 5.120 . 5.120 4.726 4.168 5.257 0.137 2 0 "[ . 1 . 2]" 1
906 1 32 TYR QE 1 94 LEU MD1 4.860 . 4.860 3.450 2.499 4.359 . 0 0 "[ . 1 . 2]" 1
907 1 94 LEU H 1 94 LEU MD1 5.650 . 5.650 4.346 4.266 4.394 . 0 0 "[ . 1 . 2]" 1
908 1 94 LEU MD1 1 115 ASN H 5.780 . 5.780 4.249 3.812 4.865 . 0 0 "[ . 1 . 2]" 1
909 1 94 LEU MD1 1 95 PHE H 4.400 . 4.400 2.490 2.050 2.980 . 0 0 "[ . 1 . 2]" 1
910 1 94 LEU HA 1 94 LEU MD2 4.340 . 4.340 2.073 1.990 2.166 . 0 0 "[ . 1 . 2]" 1
911 1 88 GLN HA 1 94 LEU MD2 4.960 . 4.960 3.346 3.015 3.847 . 0 0 "[ . 1 . 2]" 1
912 1 32 TYR QE 1 94 LEU MD2 4.840 . 4.840 3.653 2.705 4.482 . 0 0 "[ . 1 . 2]" 1
913 1 88 GLN HE22 1 94 LEU MD2 5.330 . 5.330 4.242 2.987 5.429 0.099 11 0 "[ . 1 . 2]" 1
914 1 94 LEU H 1 94 LEU MD2 5.180 . 5.180 4.090 3.979 4.193 . 0 0 "[ . 1 . 2]" 1
915 1 37 TRP HZ3 1 96 LEU HA 5.110 . 5.110 4.124 3.768 4.316 . 0 0 "[ . 1 . 2]" 1
916 1 95 PHE HA 1 96 LEU HG 5.180 . 5.180 4.053 3.514 4.657 . 0 0 "[ . 1 . 2]" 1
917 1 33 PHE QD 1 96 LEU HG 5.330 . 5.330 4.933 3.533 5.514 0.184 19 0 "[ . 1 . 2]" 1
918 1 33 PHE QE 1 96 LEU HG 5.100 . 5.100 4.434 3.172 5.040 . 0 0 "[ . 1 . 2]" 1
919 1 96 LEU HG 1 97 THR H 5.460 . 5.460 5.071 4.648 5.322 . 0 0 "[ . 1 . 2]" 1
920 1 36 THR MG 1 96 LEU MD1 3.320 . 3.320 2.010 1.664 2.315 . 0 0 "[ . 1 . 2]" 1
921 1 94 LEU MD1 1 96 LEU MD1 4.210 . 4.210 2.659 1.847 3.601 . 0 0 "[ . 1 . 2]" 1
922 1 94 LEU QB 1 96 LEU MD1 4.440 . 4.440 4.097 2.862 4.653 0.213 1 0 "[ . 1 . 2]" 1
923 1 37 TRP HA 1 96 LEU MD1 4.430 . 4.430 2.676 1.801 4.300 . 0 0 "[ . 1 . 2]" 1
924 1 36 THR HB 1 96 LEU MD1 4.420 . 4.420 2.787 2.065 3.889 . 0 0 "[ . 1 . 2]" 1
925 1 96 LEU HA 1 96 LEU MD1 4.760 . 4.760 3.856 3.485 4.051 . 0 0 "[ . 1 . 2]" 1
926 1 33 PHE QE 1 96 LEU MD1 5.050 . 5.050 4.281 3.827 4.765 . 0 0 "[ . 1 . 2]" 1
927 1 37 TRP HE3 1 96 LEU MD1 4.440 . 4.440 2.997 2.453 4.006 . 0 0 "[ . 1 . 2]" 1
928 1 37 TRP HZ3 1 96 LEU MD1 5.310 . 5.310 4.402 4.005 5.017 . 0 0 "[ . 1 . 2]" 1
929 1 96 LEU H 1 96 LEU MD1 4.580 . 4.580 3.405 2.295 4.069 . 0 0 "[ . 1 . 2]" 1
930 1 94 LEU QB 1 96 LEU MD2 4.570 . 4.570 4.486 3.825 4.783 0.213 14 0 "[ . 1 . 2]" 1
931 1 28 LEU HB2 1 96 LEU MD2 5.220 . 5.220 4.818 4.298 5.311 0.091 13 0 "[ . 1 . 2]" 1
932 1 36 THR HB 1 96 LEU MD2 5.030 . 5.030 2.768 1.880 3.395 . 0 0 "[ . 1 . 2]" 1
933 1 37 TRP HA 1 96 LEU MD2 5.470 . 5.470 3.910 2.535 4.810 . 0 0 "[ . 1 . 2]" 1
934 1 86 SER HB2 1 96 LEU MD2 4.870 . 4.870 3.608 2.730 5.014 0.144 17 0 "[ . 1 . 2]" 1
935 1 86 SER HB3 1 96 LEU MD2 4.870 . 4.870 3.840 2.719 5.036 0.166 4 0 "[ . 1 . 2]" 1
936 1 96 LEU HA 1 96 LEU MD2 4.260 . 4.260 2.669 2.175 3.655 . 0 0 "[ . 1 . 2]" 1
937 1 86 SER HA 1 96 LEU MD2 4.780 . 4.780 3.775 2.902 4.903 0.123 14 0 "[ . 1 . 2]" 1
938 1 33 PHE QD 1 96 LEU MD2 4.300 . 4.300 2.651 2.413 2.998 . 0 0 "[ . 1 . 2]" 1
939 1 33 PHE QE 1 96 LEU MD2 4.380 . 4.380 2.748 2.340 3.060 . 0 0 "[ . 1 . 2]" 1
940 1 37 TRP HZ3 1 96 LEU MD2 5.130 . 5.130 4.643 4.245 4.931 . 0 0 "[ . 1 . 2]" 1
941 1 37 TRP HE3 1 96 LEU MD2 4.780 . 4.780 3.287 2.533 3.826 . 0 0 "[ . 1 . 2]" 1
942 1 37 TRP H 1 96 LEU MD2 5.070 . 5.070 3.875 2.714 4.626 . 0 0 "[ . 1 . 2]" 1
943 1 96 LEU H 1 96 LEU MD2 5.740 . 5.740 3.969 3.610 4.480 . 0 0 "[ . 1 . 2]" 1
944 1 96 LEU MD2 1 97 THR H 5.190 . 5.190 4.205 3.842 4.890 . 0 0 "[ . 1 . 2]" 1
945 1 97 THR HA 1 112 VAL HA 4.240 . 4.240 2.640 2.338 2.938 . 0 0 "[ . 1 . 2]" 1
946 1 68 ILE MG 1 97 THR HB 5.760 . 5.760 4.167 3.747 4.635 . 0 0 "[ . 1 . 2]" 1
947 1 97 THR HB 1 99 LEU MD2 5.780 . 5.780 4.387 3.991 4.752 . 0 0 "[ . 1 . 2]" 1
948 1 85 LEU HB2 1 97 THR HB 4.900 . 4.900 1.820 1.624 1.986 . 0 0 "[ . 1 . 2]" 1
949 1 97 THR MG 1 129 LEU MD1 3.770 . 3.770 2.237 1.872 2.706 . 0 0 "[ . 1 . 2]" 1
950 1 85 LEU MD1 1 97 THR MG 3.800 . 3.800 2.699 2.282 3.057 . 0 0 "[ . 1 . 2]" 1
951 1 97 THR MG 1 99 LEU MD2 3.630 . 3.630 2.416 2.178 2.744 . 0 0 "[ . 1 . 2]" 1
952 1 97 THR MG 1 112 VAL HA 4.880 . 4.880 3.208 2.774 3.708 . 0 0 "[ . 1 . 2]" 1
953 1 95 PHE HA 1 114 GLN HA 4.710 . 4.710 2.475 2.213 2.849 . 0 0 "[ . 1 . 2]" 1
954 1 97 THR MG 1 99 LEU HG 4.630 . 4.630 2.968 2.754 3.361 . 0 0 "[ . 1 . 2]" 1
955 1 81 TRP HH2 1 99 LEU MD1 4.590 . 4.590 2.532 2.087 3.020 . 0 0 "[ . 1 . 2]" 1
956 1 99 LEU MD2 1 110 ILE HA 4.430 . 4.430 2.527 2.139 2.848 . 0 0 "[ . 1 . 2]" 1
957 1 99 LEU HA 1 99 LEU MD2 3.840 . 3.840 2.181 2.086 2.262 . 0 0 "[ . 1 . 2]" 1
958 1 99 LEU MD2 1 100 LEU H 4.580 . 4.580 3.885 3.731 4.017 . 0 0 "[ . 1 . 2]" 1
959 1 100 LEU HB2 1 109 GLN HB3 5.150 . 5.150 4.746 3.070 5.242 0.092 7 0 "[ . 1 . 2]" 1
960 1 100 LEU HB2 1 109 GLN HB2 5.150 . 5.150 3.754 3.076 5.134 . 0 0 "[ . 1 . 2]" 1
961 1 100 LEU HB3 1 109 GLN HB3 5.150 . 5.150 3.512 1.907 4.120 . 0 0 "[ . 1 . 2]" 1
962 1 100 LEU HB3 1 109 GLN HB2 5.150 . 5.150 2.317 1.965 3.539 . 0 0 "[ . 1 . 2]" 1
963 1 100 LEU HG 1 101 LEU H 5.370 . 5.370 3.895 2.975 5.096 . 0 0 "[ . 1 . 2]" 1
964 1 80 PRO HB2 1 100 LEU QD 4.120 . 4.120 2.067 1.699 2.568 . 0 0 "[ . 1 . 2]" 1
965 1 80 PRO HG2 1 100 LEU QD 4.620 . 4.620 3.430 2.632 3.989 . 0 0 "[ . 1 . 2]" 1
966 1 80 PRO HB3 1 100 LEU QD 4.120 . 4.120 2.904 2.076 3.373 . 0 0 "[ . 1 . 2]" 1
967 1 82 LYS QE 1 100 LEU QD 4.150 . 4.150 2.606 1.747 4.103 . 0 0 "[ . 1 . 2]" 1
968 1 100 LEU QD 1 101 LEU HA 5.010 . 5.010 4.012 3.239 4.715 . 0 0 "[ . 1 . 2]" 1
969 1 82 LYS HA 1 100 LEU QD 4.750 . 4.750 3.248 2.625 4.135 . 0 0 "[ . 1 . 2]" 1
970 1 100 LEU HA 1 100 LEU QD 3.750 . 3.750 2.274 2.016 2.930 . 0 0 "[ . 1 . 2]" 1
971 1 100 LEU QD 1 109 GLN HE22 4.430 . 4.430 2.970 1.875 4.180 . 0 0 "[ . 1 . 2]" 1
972 1 81 TRP H 1 100 LEU QD 5.150 . 5.150 3.705 3.352 4.128 . 0 0 "[ . 1 . 2]" 1
973 1 100 LEU QD 1 102 GLU H 5.260 . 5.260 4.127 3.241 5.046 . 0 0 "[ . 1 . 2]" 1
974 1 100 LEU QD 1 101 LEU H 3.980 . 3.980 2.574 2.212 3.003 . 0 0 "[ . 1 . 2]" 1
975 1 101 LEU MD1 1 108 MET QG 4.740 . 4.740 3.929 3.074 4.440 . 0 0 "[ . 1 . 2]" 1
976 1 101 LEU HA 1 101 LEU MD1 3.950 . 3.950 2.202 2.074 2.395 . 0 0 "[ . 1 . 2]" 1
977 1 101 LEU MD1 1 108 MET HA 4.750 . 4.750 3.102 2.749 3.413 . 0 0 "[ . 1 . 2]" 1
978 1 81 TRP HE3 1 101 LEU MD1 5.060 . 5.060 4.702 4.422 5.077 0.017 15 0 "[ . 1 . 2]" 1
979 1 101 LEU MD1 1 102 GLU H 4.350 . 4.350 2.676 2.213 3.051 . 0 0 "[ . 1 . 2]" 1
980 1 101 LEU MD2 1 108 MET QG 5.380 . 5.380 5.135 4.285 5.545 0.165 18 0 "[ . 1 . 2]" 1
981 1 81 TRP HB2 1 101 LEU MD2 5.780 . 5.780 3.355 2.786 4.311 . 0 0 "[ . 1 . 2]" 1
982 1 81 TRP HB3 1 101 LEU MD2 5.780 . 5.780 2.962 2.494 3.598 . 0 0 "[ . 1 . 2]" 1
983 1 101 LEU HA 1 101 LEU MD2 4.620 . 4.620 3.967 3.864 4.019 . 0 0 "[ . 1 . 2]" 1
984 1 81 TRP HE3 1 101 LEU MD2 5.290 . 5.290 3.993 3.340 4.390 . 0 0 "[ . 1 . 2]" 1
985 1 50 TRP HE1 1 101 LEU MD2 5.150 . 5.150 4.420 2.930 5.243 0.093 10 0 "[ . 1 . 2]" 1
986 1 101 LEU MD2 1 102 GLU H 5.780 . 5.780 4.679 4.394 4.939 . 0 0 "[ . 1 . 2]" 1
987 1 100 LEU QD 1 102 GLU HG2 4.830 . 4.830 3.451 2.216 4.180 . 0 0 "[ . 1 . 2]" 1
988 1 102 GLU H 1 102 GLU HG2 4.980 . 4.980 2.815 2.094 3.546 . 0 0 "[ . 1 . 2]" 1
989 1 102 GLU H 1 102 GLU HG3 4.980 . 4.980 3.017 2.109 3.909 . 0 0 "[ . 1 . 2]" 1
990 1 20 LEU MD2 1 124 SER HB2 4.830 . 4.830 3.049 1.758 4.125 . 0 0 "[ . 1 . 2]" 1
991 1 124 SER HB2 1 125 PHE H 5.530 . 5.530 3.583 2.671 4.146 . 0 0 "[ . 1 . 2]" 1
992 1 50 TRP H 1 107 GLU HA 4.160 . 4.160 2.427 1.751 3.673 . 0 0 "[ . 1 . 2]" 1
993 1 99 LEU MD2 1 108 MET QG 4.840 . 4.840 3.095 2.528 3.602 . 0 0 "[ . 1 . 2]" 1
994 1 108 MET QG 1 110 ILE HG12 5.250 . 5.250 4.032 2.639 4.508 . 0 0 "[ . 1 . 2]" 1
995 1 100 LEU HA 1 108 MET QG 5.780 . 5.780 4.689 3.851 5.932 0.152 17 0 "[ . 1 . 2]" 1
996 1 101 LEU MD2 1 108 MET ME 4.040 . 4.040 3.333 2.383 4.345 0.305 4 0 "[ . 1 . 2]" 1
997 1 101 LEU MD1 1 108 MET ME 3.910 . 3.910 2.795 2.077 4.026 0.116 13 0 "[ . 1 . 2]" 1
998 1 108 MET ME 1 133 ILE MD 4.000 . 4.000 3.721 2.611 4.120 0.120 2 0 "[ . 1 . 2]" 1
999 1 59 LEU MD2 1 108 MET ME 4.350 . 4.350 2.973 2.024 4.437 0.087 15 0 "[ . 1 . 2]" 1
1000 1 99 LEU MD2 1 108 MET ME 4.970 . 4.970 3.873 2.625 4.428 . 0 0 "[ . 1 . 2]" 1
1001 1 108 MET ME 1 133 ILE MG 4.790 . 4.790 3.880 2.894 4.836 0.046 18 0 "[ . 1 . 2]" 1
1002 1 99 LEU MD1 1 108 MET ME 3.800 . 3.800 3.250 2.394 3.872 0.072 11 0 "[ . 1 . 2]" 1
1003 1 99 LEU QB 1 108 MET ME 3.910 . 3.910 2.968 2.100 3.460 . 0 0 "[ . 1 . 2]" 1
1004 1 108 MET HB2 1 108 MET ME 4.130 . 4.130 2.291 2.012 3.871 . 0 0 "[ . 1 . 2]" 1
1005 1 108 MET HB3 1 108 MET ME 4.130 . 4.130 3.302 2.939 4.245 0.115 17 0 "[ . 1 . 2]" 1
1006 1 108 MET HA 1 108 MET ME 4.740 . 4.740 3.773 2.970 4.498 . 0 0 "[ . 1 . 2]" 1
1007 1 54 PHE HZ 1 108 MET ME 4.920 . 4.920 3.302 2.241 4.280 . 0 0 "[ . 1 . 2]" 1
1008 1 54 PHE QE 1 108 MET ME 4.510 . 4.510 2.304 1.900 3.807 . 0 0 "[ . 1 . 2]" 1
1009 1 81 TRP HZ3 1 108 MET ME 4.500 . 4.500 2.539 2.168 3.068 . 0 0 "[ . 1 . 2]" 1
1010 1 50 TRP HH2 1 108 MET ME 5.040 . 5.040 4.199 3.720 5.004 . 0 0 "[ . 1 . 2]" 1
1011 1 50 TRP HZ3 1 108 MET ME 4.550 . 4.550 3.293 2.531 4.438 . 0 0 "[ . 1 . 2]" 1
1012 1 50 TRP HZ2 1 108 MET ME 5.450 . 5.450 4.874 4.001 5.559 0.109 15 0 "[ . 1 . 2]" 1
1013 1 81 TRP HE3 1 108 MET ME 5.740 . 5.740 3.021 1.983 3.857 . 0 0 "[ . 1 . 2]" 1
1014 1 50 TRP HE3 1 108 MET ME 4.630 . 4.630 3.037 2.256 4.659 0.029 13 0 "[ . 1 . 2]" 1
1015 1 101 LEU H 1 108 MET ME 5.780 . 5.780 4.327 3.344 5.159 . 0 0 "[ . 1 . 2]" 1
1016 1 108 MET ME 1 109 GLN H 5.780 . 5.780 4.829 4.220 5.134 . 0 0 "[ . 1 . 2]" 1
1017 1 62 ALA MB 1 65 VAL HB 5.340 . 5.340 4.058 3.869 4.345 . 0 0 "[ . 1 . 2]" 1
1018 1 109 GLN H 1 109 GLN HG2 5.100 . 5.100 3.923 3.601 4.552 . 0 0 "[ . 1 . 2]" 1
1019 1 109 GLN HG3 1 110 ILE H 5.460 . 5.460 5.011 3.381 5.280 . 0 0 "[ . 1 . 2]" 1
1020 1 109 GLN H 1 109 GLN HG3 5.100 . 5.100 3.008 2.444 4.750 . 0 0 "[ . 1 . 2]" 1
1021 1 110 ILE H 1 110 ILE HG13 4.690 . 4.690 3.587 2.495 4.048 . 0 0 "[ . 1 . 2]" 1
1022 1 97 THR MG 1 110 ILE MG 3.580 . 3.580 2.309 2.034 2.683 . 0 0 "[ . 1 . 2]" 1
1023 1 46 GLN HB2 1 110 ILE MG 5.780 . 5.780 5.020 4.030 5.826 0.046 18 0 "[ . 1 . 2]" 1
1024 1 108 MET QG 1 110 ILE MG 5.780 . 5.780 4.857 4.426 5.207 . 0 0 "[ . 1 . 2]" 1
1025 1 46 GLN HB3 1 110 ILE MG 5.780 . 5.780 4.187 3.256 5.640 . 0 0 "[ . 1 . 2]" 1
1026 1 99 LEU HA 1 110 ILE MG 5.010 . 5.010 4.236 3.822 4.540 . 0 0 "[ . 1 . 2]" 1
1027 1 45 GLN HA 1 110 ILE MG 5.620 . 5.620 4.209 3.729 4.632 . 0 0 "[ . 1 . 2]" 1
1028 1 110 ILE MG 1 112 VAL HA 5.780 . 5.780 4.179 3.851 4.557 . 0 0 "[ . 1 . 2]" 1
1029 1 46 GLN H 1 110 ILE MG 5.320 . 5.320 3.844 3.560 4.136 . 0 0 "[ . 1 . 2]" 1
1030 1 98 GLU H 1 110 ILE MG 5.210 . 5.210 4.040 3.295 4.545 . 0 0 "[ . 1 . 2]" 1
1031 1 110 ILE MG 1 112 VAL H 5.780 . 5.780 3.620 3.265 3.784 . 0 0 "[ . 1 . 2]" 1
1032 1 110 ILE HB 1 110 ILE MD 3.720 . 3.720 2.417 2.373 2.476 . 0 0 "[ . 1 . 2]" 1
1033 1 108 MET QG 1 110 ILE MD 4.280 . 4.280 2.480 2.094 3.748 . 0 0 "[ . 1 . 2]" 1
1034 1 110 ILE HA 1 110 ILE MD 4.600 . 4.600 3.346 2.933 3.980 . 0 0 "[ . 1 . 2]" 1
1035 1 110 ILE H 1 110 ILE MD 4.920 . 4.920 2.556 2.185 3.935 . 0 0 "[ . 1 . 2]" 1
1036 1 110 ILE MG 1 111 SER HA 5.780 . 5.780 3.839 3.579 4.000 . 0 0 "[ . 1 . 2]" 1
1037 1 45 GLN HA 1 111 SER HA 4.150 . 4.150 2.548 2.308 2.906 . 0 0 "[ . 1 . 2]" 1
1038 1 98 GLU H 1 111 SER HB3 5.780 . 5.780 3.858 2.766 4.985 . 0 0 "[ . 1 . 2]" 1
1039 1 44 HIS HB3 1 112 VAL HB 4.850 . 4.850 2.430 1.970 2.960 . 0 0 "[ . 1 . 2]" 1
1040 1 44 HIS HB2 1 112 VAL HB 4.850 . 4.850 4.042 3.513 4.463 . 0 0 "[ . 1 . 2]" 1
1041 1 112 VAL MG1 1 126 ILE MD 4.780 . 4.780 3.768 2.832 4.348 . 0 0 "[ . 1 . 2]" 1
1042 1 97 THR HG1 1 112 VAL MG1 5.330 . 5.330 2.972 2.242 3.610 . 0 0 "[ . 1 . 2]" 1
1043 1 97 THR HA 1 112 VAL MG1 5.130 . 5.130 4.117 3.535 4.573 . 0 0 "[ . 1 . 2]" 1
1044 1 112 VAL MG1 1 125 PHE QD 4.680 . 4.680 2.267 1.973 3.075 . 0 0 "[ . 1 . 2]" 1
1045 1 112 VAL MG1 1 125 PHE QE 4.450 . 4.450 2.623 2.304 3.518 . 0 0 "[ . 1 . 2]" 1
1046 1 96 LEU H 1 112 VAL MG1 5.080 . 5.080 4.122 3.589 4.768 . 0 0 "[ . 1 . 2]" 1
1047 1 112 VAL MG1 1 113 LYS H 4.080 . 4.080 2.800 2.380 2.977 . 0 0 "[ . 1 . 2]" 1
1048 1 112 VAL MG2 1 129 LEU MD1 3.790 . 3.790 2.474 2.077 3.944 0.154 12 0 "[ . 1 . 2]" 1
1049 1 110 ILE MG 1 112 VAL MG2 3.620 . 3.620 2.047 1.890 2.329 . 0 0 "[ . 1 . 2]" 1
1050 1 44 HIS HB3 1 112 VAL MG2 5.460 . 5.460 3.430 3.026 3.932 . 0 0 "[ . 1 . 2]" 1
1051 1 44 HIS HB2 1 112 VAL MG2 5.460 . 5.460 4.852 4.394 5.376 . 0 0 "[ . 1 . 2]" 1
1052 1 112 VAL MG2 1 126 ILE HA 5.780 . 5.780 3.498 3.072 3.967 . 0 0 "[ . 1 . 2]" 1
1053 1 111 SER HA 1 112 VAL MG2 4.860 . 4.860 3.772 3.648 3.920 . 0 0 "[ . 1 . 2]" 1
1054 1 97 THR HA 1 112 VAL MG2 5.100 . 5.100 3.793 3.126 4.327 . 0 0 "[ . 1 . 2]" 1
1055 1 112 VAL MG2 1 125 PHE QE 4.600 . 4.600 2.826 2.410 3.700 . 0 0 "[ . 1 . 2]" 1
1056 1 112 VAL MG2 1 113 LYS H 4.990 . 4.990 4.188 3.986 4.276 . 0 0 "[ . 1 . 2]" 1
1057 1 99 LEU HA 1 108 MET QG 4.910 . 4.910 3.449 2.925 4.404 . 0 0 "[ . 1 . 2]" 1
1058 1 114 GLN QG 1 115 ASN H 5.160 . 5.160 3.715 3.444 4.027 . 0 0 "[ . 1 . 2]" 1
1059 1 94 LEU MD1 1 114 GLN HA 5.080 . 5.080 4.291 3.956 4.576 . 0 0 "[ . 1 . 2]" 1
1060 1 116 GLU H 1 116 GLU QG 4.550 . 4.550 2.886 2.586 3.330 . 0 0 "[ . 1 . 2]" 1
1061 1 115 ASN HD22 1 116 GLU QG 5.260 . 5.260 3.867 2.896 4.798 . 0 0 "[ . 1 . 2]" 1
1062 1 115 ASN HD21 1 116 GLU QG 5.160 . 5.160 3.953 1.993 5.146 . 0 0 "[ . 1 . 2]" 1
1063 1 114 GLN QG 1 117 ALA HA 4.750 . 4.750 2.162 1.849 2.541 . 0 0 "[ . 1 . 2]" 1
1064 1 116 GLU HA 1 117 ALA MB 4.800 . 4.800 4.044 3.975 4.156 . 0 0 "[ . 1 . 2]" 1
1065 1 118 ARG HG3 1 121 THR H 5.290 . 5.290 4.537 3.925 5.262 . 0 0 "[ . 1 . 2]" 1
1066 1 118 ARG HD2 1 121 THR MG 5.340 . 5.340 3.088 1.844 4.480 . 0 0 "[ . 1 . 2]" 1
1067 1 118 ARG HD3 1 121 THR MG 5.340 . 5.340 2.789 1.701 4.010 . 0 0 "[ . 1 . 2]" 1
1068 1 119 THR HA 1 122 LEU MD2 4.790 . 4.790 3.683 3.086 4.113 . 0 0 "[ . 1 . 2]" 1
1069 1 119 THR HB 1 120 GLU QB 5.010 . 5.010 4.176 3.812 5.111 0.101 4 0 "[ . 1 . 2]" 1
1070 1 119 THR MG 1 123 ASN HD22 4.230 . 4.230 2.395 1.847 3.920 . 0 0 "[ . 1 . 2]" 1
1071 1 58 THR MG 1 59 LEU H 4.840 . 4.840 3.671 3.449 3.846 . 0 0 "[ . 1 . 2]" 1
1072 1 120 GLU HA 1 123 ASN HB2 4.740 . 4.740 3.372 2.865 3.862 . 0 0 "[ . 1 . 2]" 1
1073 1 118 ARG HG2 1 120 GLU QB 4.630 . 4.630 3.606 2.162 4.915 0.285 8 0 "[ . 1 . 2]" 1
1074 1 120 GLU QG 1 121 THR H 4.820 . 4.820 3.251 2.003 3.928 . 0 0 "[ . 1 . 2]" 1
1075 1 95 PHE QE 1 121 THR HB 4.780 . 4.780 2.493 1.930 3.108 . 0 0 "[ . 1 . 2]" 1
1076 1 20 LEU MD1 1 121 THR MG 3.890 . 3.890 2.288 1.699 3.554 . 0 0 "[ . 1 . 2]" 1
1077 1 120 GLU QB 1 121 THR MG 4.900 . 4.900 3.289 2.546 4.699 . 0 0 "[ . 1 . 2]" 1
1078 1 120 GLU QG 1 121 THR MG 4.620 . 4.620 3.412 1.863 4.570 . 0 0 "[ . 1 . 2]" 1
1079 1 95 PHE QE 1 121 THR MG 4.550 . 4.550 3.681 3.039 4.145 . 0 0 "[ . 1 . 2]" 1
1080 1 121 THR H 1 121 THR MG 4.400 . 4.400 2.349 2.197 2.810 . 0 0 "[ . 1 . 2]" 1
1081 1 95 PHE QD 1 122 LEU HA 5.780 . 5.780 4.406 3.978 4.884 . 0 0 "[ . 1 . 2]" 1
1082 1 112 VAL HB 1 122 LEU MD1 4.340 . 4.340 2.695 2.445 3.128 . 0 0 "[ . 1 . 2]" 1
1083 1 122 LEU HA 1 122 LEU MD1 3.910 . 3.910 2.135 2.039 2.195 . 0 0 "[ . 1 . 2]" 1
1084 1 44 HIS HD2 1 122 LEU MD1 4.460 . 4.460 4.220 3.834 4.496 0.036 19 0 "[ . 1 . 2]" 1
1085 1 28 LEU H 1 28 LEU MD2 4.870 . 4.870 3.053 2.793 3.650 . 0 0 "[ . 1 . 2]" 1
1086 1 122 LEU MD1 1 126 ILE H 5.460 . 5.460 4.146 3.788 4.585 . 0 0 "[ . 1 . 2]" 1
1087 1 122 LEU MD2 1 126 ILE MD 4.580 . 4.580 3.060 2.763 3.418 . 0 0 "[ . 1 . 2]" 1
1088 1 44 HIS HD2 1 122 LEU MD2 5.300 . 5.300 5.146 4.858 5.366 0.066 13 0 "[ . 1 . 2]" 1
1089 1 44 HIS HE1 1 122 LEU MD2 5.620 . 5.620 5.457 4.703 5.722 0.102 10 0 "[ . 1 . 2]" 1
1090 1 124 SER HA 1 127 SER QB 3.990 . 3.990 2.734 2.079 3.912 . 0 0 "[ . 1 . 2]" 1
1091 1 124 SER HB3 1 125 PHE H 5.530 . 5.530 3.258 2.556 4.117 . 0 0 "[ . 1 . 2]" 1
1092 1 20 LEU MD2 1 125 PHE HA 4.250 . 4.250 2.622 2.011 3.356 . 0 0 "[ . 1 . 2]" 1
1093 1 125 PHE HA 1 128 VAL MG2 4.540 . 4.540 2.766 2.510 3.214 . 0 0 "[ . 1 . 2]" 1
1094 1 125 PHE HA 1 128 VAL HB 4.750 . 4.750 2.882 2.663 3.195 . 0 0 "[ . 1 . 2]" 1
1095 1 25 ASN HB3 1 26 ARG H 5.280 . 5.280 3.030 1.847 4.018 . 0 0 "[ . 1 . 2]" 1
1096 1 126 ILE HA 1 129 LEU HB2 4.970 . 4.970 2.916 2.574 3.905 . 0 0 "[ . 1 . 2]" 1
1097 1 126 ILE HA 1 129 LEU HB3 4.970 . 4.970 3.914 2.312 4.649 . 0 0 "[ . 1 . 2]" 1
1098 1 123 ASN HA 1 126 ILE HB 4.760 . 4.760 2.999 2.618 3.370 . 0 0 "[ . 1 . 2]" 1
1099 1 48 LEU MD1 1 126 ILE MG 5.650 . 5.650 4.409 3.758 5.063 . 0 0 "[ . 1 . 2]" 1
1100 1 122 LEU MD1 1 126 ILE MG 5.780 . 5.780 4.769 4.506 5.030 . 0 0 "[ . 1 . 2]" 1
1101 1 126 ILE MG 1 130 GLU HG2 4.920 . 4.920 3.049 2.343 3.832 . 0 0 "[ . 1 . 2]" 1
1102 1 123 ASN HA 1 126 ILE MG 5.230 . 5.230 4.269 3.838 4.722 . 0 0 "[ . 1 . 2]" 1
1103 1 126 ILE MD 1 126 ILE MG 3.480 . 3.480 2.070 1.975 2.125 . 0 0 "[ . 1 . 2]" 1
1104 1 122 LEU MD1 1 126 ILE MD 3.980 . 3.980 2.442 2.021 3.031 . 0 0 "[ . 1 . 2]" 1
1105 1 112 VAL MG2 1 126 ILE MD 4.080 . 4.080 3.486 2.622 4.116 0.036 6 0 "[ . 1 . 2]" 1
1106 1 122 LEU HG 1 126 ILE MD 4.280 . 4.280 2.142 1.867 2.459 . 0 0 "[ . 1 . 2]" 1
1107 1 44 HIS HB3 1 126 ILE MD 4.880 . 4.880 2.778 2.208 3.329 . 0 0 "[ . 1 . 2]" 1
1108 1 44 HIS HB2 1 126 ILE MD 4.880 . 4.880 2.990 2.601 3.473 . 0 0 "[ . 1 . 2]" 1
1109 1 126 ILE HA 1 126 ILE MD 4.770 . 4.770 3.937 3.902 3.985 . 0 0 "[ . 1 . 2]" 1
1110 1 123 ASN HA 1 126 ILE MD 4.260 . 4.260 2.343 1.798 3.419 . 0 0 "[ . 1 . 2]" 1
1111 1 44 HIS HD2 1 126 ILE MD 4.590 . 4.590 2.886 2.291 3.726 . 0 0 "[ . 1 . 2]" 1
1112 1 126 ILE H 1 126 ILE MD 4.600 . 4.600 3.453 3.360 3.612 . 0 0 "[ . 1 . 2]" 1
1113 1 126 ILE MG 1 127 SER HA 4.950 . 4.950 3.575 3.310 3.792 . 0 0 "[ . 1 . 2]" 1
1114 1 129 LEU HA 1 132 VAL HB 5.230 . 5.230 2.756 2.473 3.142 . 0 0 "[ . 1 . 2]" 1
1115 1 66 VAL HB 1 128 VAL MG1 4.490 . 4.490 2.460 2.152 3.065 . 0 0 "[ . 1 . 2]" 1
1116 1 128 VAL MG1 1 131 THR HB 5.110 . 5.110 3.988 3.690 4.287 . 0 0 "[ . 1 . 2]" 1
1117 1 128 VAL HA 1 128 VAL MG2 3.570 . 3.570 2.405 2.347 2.450 . 0 0 "[ . 1 . 2]" 1
1118 1 127 SER QB 1 128 VAL MG2 4.480 . 4.480 3.547 3.157 4.484 0.004 8 0 "[ . 1 . 2]" 1
1119 1 124 SER HA 1 128 VAL MG2 5.420 . 5.420 4.158 3.709 4.341 . 0 0 "[ . 1 . 2]" 1
1120 1 128 VAL MG2 1 131 THR HB 5.250 . 5.250 4.809 4.451 5.014 . 0 0 "[ . 1 . 2]" 1
1121 1 128 VAL H 1 128 VAL MG2 3.580 . 3.580 2.209 2.097 2.332 . 0 0 "[ . 1 . 2]" 1
1122 1 129 LEU HA 1 129 LEU MD2 3.840 . 3.840 2.475 2.091 4.036 0.196 9 0 "[ . 1 . 2]" 1
1123 1 129 LEU HA 1 132 VAL MG2 4.860 . 4.860 2.965 2.336 3.480 . 0 0 "[ . 1 . 2]" 1
1124 1 129 LEU H 1 129 LEU HG 4.750 . 4.750 2.725 2.088 4.480 . 0 0 "[ . 1 . 2]" 1
1125 1 129 LEU MD1 1 133 ILE HG13 5.310 . 5.310 5.080 3.261 5.473 0.163 19 0 "[ . 1 . 2]" 1
1126 1 110 ILE HB 1 129 LEU MD1 5.780 . 5.780 4.437 3.887 5.893 0.113 12 0 "[ . 1 . 2]" 1
1127 1 126 ILE HA 1 129 LEU MD1 5.110 . 5.110 2.774 2.087 4.411 . 0 0 "[ . 1 . 2]" 1
1128 1 129 LEU HA 1 129 LEU MD1 4.180 . 4.180 3.757 2.565 3.944 . 0 0 "[ . 1 . 2]" 1
1129 1 97 THR MG 1 129 LEU MD2 3.740 . 3.740 2.992 2.532 3.708 . 0 0 "[ . 1 . 2]" 1
1130 1 125 PHE QE 1 129 LEU MD2 4.920 . 4.920 3.565 2.951 4.991 0.071 15 0 "[ . 1 . 2]" 1
1131 1 129 LEU H 1 129 LEU MD2 5.250 . 5.250 3.422 3.033 4.337 . 0 0 "[ . 1 . 2]" 1
1132 1 130 GLU HA 1 133 ILE MD 4.580 . 4.580 3.596 2.238 4.283 . 0 0 "[ . 1 . 2]" 1
1133 1 48 LEU MD1 1 130 GLU HA 5.400 . 5.400 3.608 2.163 5.077 . 0 0 "[ . 1 . 2]" 1
1134 1 130 GLU HA 1 133 ILE MG 5.780 . 5.780 4.203 3.742 4.674 . 0 0 "[ . 1 . 2]" 1
1135 1 130 GLU HA 1 133 ILE HB 4.550 . 4.550 3.006 2.469 3.446 . 0 0 "[ . 1 . 2]" 1
1136 1 130 GLU HA 1 133 ILE H 4.970 . 4.970 3.802 3.116 4.251 . 0 0 "[ . 1 . 2]" 1
1137 1 48 LEU MD1 1 130 GLU HG2 5.060 . 5.060 3.492 1.688 5.003 . 0 0 "[ . 1 . 2]" 1
1138 1 126 ILE MG 1 130 GLU HG3 4.920 . 4.920 2.695 2.276 3.508 . 0 0 "[ . 1 . 2]" 1
1139 1 48 LEU MD1 1 130 GLU HG3 5.060 . 5.060 4.371 3.019 5.172 0.112 13 0 "[ . 1 . 2]" 1
1140 1 128 VAL HA 1 131 THR HB 4.200 . 4.200 3.030 2.584 3.258 . 0 0 "[ . 1 . 2]" 1
1141 1 128 VAL HA 1 131 THR MG 5.200 . 5.200 4.272 3.786 4.515 . 0 0 "[ . 1 . 2]" 1
1142 1 131 THR HA 1 131 THR MG 3.600 . 3.600 2.441 2.385 2.563 . 0 0 "[ . 1 . 2]" 1
1143 1 131 THR MG 1 132 VAL H 4.490 . 4.490 3.608 3.226 3.818 . 0 0 "[ . 1 . 2]" 1
1144 1 66 VAL MG1 1 132 VAL HA 5.780 . 5.780 4.388 3.550 4.935 . 0 0 "[ . 1 . 2]" 1
1145 1 131 THR HB 1 132 VAL HA 5.120 . 5.120 4.286 4.055 4.482 . 0 0 "[ . 1 . 2]" 1
1146 1 132 VAL HA 1 135 THR HB 5.680 . 5.680 3.775 2.974 4.551 . 0 0 "[ . 1 . 2]" 1
1147 1 66 VAL MG1 1 132 VAL HB 5.780 . 5.780 5.035 4.706 5.607 . 0 0 "[ . 1 . 2]" 1
1148 1 66 VAL MG2 1 132 VAL HB 5.780 . 5.780 4.224 3.992 4.682 . 0 0 "[ . 1 . 2]" 1
1149 1 63 LEU HG 1 132 VAL MG1 4.280 . 4.280 2.720 2.281 3.488 . 0 0 "[ . 1 . 2]" 1
1150 1 129 LEU HA 1 132 VAL MG1 5.700 . 5.700 4.093 3.855 4.449 . 0 0 "[ . 1 . 2]" 1
1151 1 132 VAL MG1 1 133 ILE HA 5.780 . 5.780 3.410 3.294 3.669 . 0 0 "[ . 1 . 2]" 1
1152 1 63 LEU HA 1 132 VAL MG1 4.350 . 4.350 3.148 2.739 3.636 . 0 0 "[ . 1 . 2]" 1
1153 1 132 VAL H 1 132 VAL MG1 4.640 . 4.640 3.818 3.784 3.847 . 0 0 "[ . 1 . 2]" 1
1154 1 128 VAL MG1 1 132 VAL MG2 3.370 . 3.370 2.517 2.331 2.870 . 0 0 "[ . 1 . 2]" 1
1155 1 132 VAL HA 1 132 VAL MG2 3.600 . 3.600 2.418 2.336 2.488 . 0 0 "[ . 1 . 2]" 1
1156 1 63 LEU HA 1 132 VAL MG2 5.260 . 5.260 3.285 2.830 4.136 . 0 0 "[ . 1 . 2]" 1
1157 1 131 THR HB 1 132 VAL MG2 5.050 . 5.050 3.204 2.945 3.456 . 0 0 "[ . 1 . 2]" 1
1158 1 132 VAL H 1 132 VAL MG2 3.590 . 3.590 2.145 1.998 2.353 . 0 0 "[ . 1 . 2]" 1
1159 1 59 LEU MD1 1 133 ILE HA 4.360 . 4.360 3.065 2.484 3.835 . 0 0 "[ . 1 . 2]" 1
1160 1 133 ILE H 1 133 ILE HG12 4.640 . 4.640 3.534 3.405 3.809 . 0 0 "[ . 1 . 2]" 1
1161 1 129 LEU HA 1 133 ILE HG13 5.380 . 5.380 3.908 3.057 4.594 . 0 0 "[ . 1 . 2]" 1
1162 1 133 ILE MG 1 134 GLY H 4.560 . 4.560 3.309 3.025 3.582 . 0 0 "[ . 1 . 2]" 1
1163 1 58 THR MG 1 136 ILE MD 3.550 . 3.550 2.822 1.905 3.629 0.079 15 0 "[ . 1 . 2]" 1
1164 1 133 ILE HA 1 136 ILE MD 4.070 . 4.070 2.749 1.807 4.270 0.200 2 0 "[ . 1 . 2]" 1
1165 1 50 TRP HZ3 1 133 ILE MD 4.780 . 4.780 3.524 2.310 4.759 . 0 0 "[ . 1 . 2]" 1
1166 1 133 ILE H 1 133 ILE MD 4.470 . 4.470 3.711 3.603 3.968 . 0 0 "[ . 1 . 2]" 1
1167 1 135 THR HA 1 135 THR MG 3.650 . 3.650 2.827 2.388 3.270 . 0 0 "[ . 1 . 2]" 1
1168 1 135 THR HA 1 137 GLU H 4.990 . 4.990 4.290 3.735 4.661 . 0 0 "[ . 1 . 2]" 1
1169 1 135 THR HB 1 136 ILE H 4.600 . 4.600 3.550 2.823 4.250 . 0 0 "[ . 1 . 2]" 1
1170 1 135 THR H 1 135 THR HB 4.080 . 4.080 2.546 2.462 2.718 . 0 0 "[ . 1 . 2]" 1
1171 1 132 VAL HA 1 135 THR MG 4.560 . 4.560 3.533 2.258 4.724 0.164 12 0 "[ . 1 . 2]" 1
1172 1 136 ILE HA 1 136 ILE MD 4.120 . 4.120 3.668 2.174 3.978 . 0 0 "[ . 1 . 2]" 1
1173 1 58 THR MG 1 136 ILE HB 5.780 . 5.780 4.560 4.141 5.302 . 0 0 "[ . 1 . 2]" 1
1174 1 135 THR MG 1 136 ILE HB 5.780 . 5.780 4.961 3.787 5.812 0.032 14 0 "[ . 1 . 2]" 1
1175 1 58 THR MG 1 136 ILE MG 4.080 . 4.080 2.577 2.105 3.384 . 0 0 "[ . 1 . 2]" 1
1176 1 133 ILE HA 1 136 ILE MG 5.200 . 5.200 4.387 4.088 4.916 . 0 0 "[ . 1 . 2]" 1
1177 1 136 ILE HA 1 136 ILE MG 3.560 . 3.560 2.461 2.324 2.604 . 0 0 "[ . 1 . 2]" 1
1178 1 136 ILE MG 1 137 GLU H 4.240 . 4.240 3.732 3.457 4.129 . 0 0 "[ . 1 . 2]" 1
1179 1 59 LEU HA 1 136 ILE MD 3.790 . 3.790 1.958 1.701 2.662 . 0 0 "[ . 1 . 2]" 1
1180 1 59 LEU H 1 136 ILE MD 4.680 . 4.680 3.230 2.832 4.031 . 0 0 "[ . 1 . 2]" 1
1181 1 139 ILE H 1 139 ILE MD 4.450 . 4.450 3.194 1.786 4.400 . 0 0 "[ . 1 . 2]" 1
1182 1 137 GLU H 1 137 GLU HG2 4.770 . 4.770 3.400 2.498 4.940 0.170 5 0 "[ . 1 . 2]" 1
1183 1 138 GLU HB2 1 139 ILE H 5.260 . 5.260 4.008 2.096 4.661 . 0 0 "[ . 1 . 2]" 1
1184 1 139 ILE HA 1 139 ILE HG12 4.420 . 4.420 3.449 2.574 4.312 . 0 0 "[ . 1 . 2]" 1
1185 1 139 ILE HA 1 139 ILE HG13 4.420 . 4.420 3.150 2.444 3.846 . 0 0 "[ . 1 . 2]" 1
1186 1 139 ILE H 1 139 ILE MG 4.410 . 4.410 3.467 2.166 4.126 . 0 0 "[ . 1 . 2]" 1
1187 1 139 ILE HA 1 139 ILE MD 4.390 . 4.390 3.733 2.890 4.294 . 0 0 "[ . 1 . 2]" 1
1188 1 140 LYS HA 1 141 SER H 3.730 . 3.730 2.883 2.156 3.598 . 0 0 "[ . 1 . 2]" 1
1189 1 140 LYS HA 1 140 LYS QD 4.910 . 4.910 3.457 2.161 4.346 . 0 0 "[ . 1 . 2]" 1
1190 1 20 LEU MD1 1 95 PHE QE 4.850 . 4.850 2.664 2.041 3.588 . 0 0 "[ . 1 . 2]" 1
1191 1 22 LEU MD2 1 87 ALA MB 3.600 . 3.600 2.092 1.728 2.724 . 0 0 "[ . 1 . 2]" 1
1192 1 87 ALA MB 1 95 PHE H 5.300 . 5.300 3.772 3.414 4.134 . 0 0 "[ . 1 . 2]" 1
1193 1 28 LEU MD1 1 33 PHE HB2 5.310 . 5.310 3.725 3.266 4.272 . 0 0 "[ . 1 . 2]" 1
1194 1 28 LEU MD2 1 33 PHE QD 5.570 . 5.570 5.410 4.719 5.730 0.160 11 0 "[ . 1 . 2]" 1
1195 1 29 THR MG 1 32 TYR H 5.220 . 5.220 4.106 4.014 4.305 . 0 0 "[ . 1 . 2]" 1
1196 1 29 THR HB 1 30 ALA MB 4.960 . 4.960 4.065 3.927 4.196 . 0 0 "[ . 1 . 2]" 1
1197 1 33 PHE HB2 1 96 LEU MD2 5.780 . 5.780 3.929 3.710 4.153 . 0 0 "[ . 1 . 2]" 1
1198 1 34 GLU HG2 1 38 LEU MD1 4.680 . 4.680 2.934 2.181 4.834 0.154 19 0 "[ . 1 . 2]" 1
1199 1 56 PRO HA 1 81 TRP HZ2 5.460 . 5.460 3.625 2.781 4.279 . 0 0 "[ . 1 . 2]" 1
1200 1 63 LEU HA 1 66 VAL MG1 5.780 . 5.780 4.147 3.916 4.379 . 0 0 "[ . 1 . 2]" 1
1201 1 63 LEU H 1 66 VAL MG2 5.420 . 5.420 4.064 3.873 4.212 . 0 0 "[ . 1 . 2]" 1
1202 1 66 VAL H 1 67 ASN HA 4.800 . 4.800 4.618 4.526 4.766 . 0 0 "[ . 1 . 2]" 1
1203 1 63 LEU HB2 1 68 ILE HB 4.950 . 4.950 3.743 3.404 4.086 . 0 0 "[ . 1 . 2]" 1
1204 1 82 LYS HA 1 100 LEU HA 4.330 . 4.330 2.525 2.053 2.893 . 0 0 "[ . 1 . 2]" 1
1205 1 85 LEU HB3 1 97 THR HB 4.900 . 4.900 3.437 3.220 3.642 . 0 0 "[ . 1 . 2]" 1
1206 1 94 LEU MD1 1 96 LEU MD2 4.050 . 4.050 2.266 1.927 3.007 . 0 0 "[ . 1 . 2]" 1
1207 1 33 PHE QD 1 96 LEU MD1 5.540 . 5.540 4.456 3.850 5.178 . 0 0 "[ . 1 . 2]" 1
1208 1 28 LEU MD1 1 96 LEU MD2 4.480 . 4.480 2.786 2.186 3.397 . 0 0 "[ . 1 . 2]" 1
1209 1 36 THR MG 1 96 LEU MD2 3.510 . 3.510 2.838 2.121 3.517 0.007 10 0 "[ . 1 . 2]" 1
1210 1 37 TRP HB2 1 96 LEU MD2 5.100 . 5.100 3.505 2.483 4.166 . 0 0 "[ . 1 . 2]" 1
1211 1 97 THR HB 1 98 GLU H 5.480 . 5.480 3.928 3.812 4.074 . 0 0 "[ . 1 . 2]" 1
1212 1 100 LEU QD 1 102 GLU HG3 4.830 . 4.830 4.244 2.571 4.891 0.061 14 0 "[ . 1 . 2]" 1
1213 1 110 ILE HB 1 112 VAL MG2 5.160 . 5.160 3.929 3.619 4.297 . 0 0 "[ . 1 . 2]" 1
1214 1 59 LEU HG 1 63 LEU MD1 4.130 . 4.130 2.188 2.018 2.633 . 0 0 "[ . 1 . 2]" 1
1215 1 120 GLU HA 1 123 ASN HB3 5.260 . 5.260 5.025 4.552 5.387 0.127 11 0 "[ . 1 . 2]" 1
1216 1 121 THR MG 1 122 LEU H 5.220 . 5.220 3.992 3.867 4.193 . 0 0 "[ . 1 . 2]" 1
1217 1 75 ARG HA 1 76 ALA MB 5.600 . 5.600 4.088 4.015 4.211 . 0 0 "[ . 1 . 2]" 1
1218 1 131 THR MG 1 132 VAL HA 4.850 . 4.850 3.690 3.370 3.936 . 0 0 "[ . 1 . 2]" 1
1219 1 132 VAL MG1 1 133 ILE HG13 4.900 . 4.900 3.634 3.232 4.133 . 0 0 "[ . 1 . 2]" 1
1220 1 62 ALA MB 1 132 VAL MG2 4.360 . 4.360 3.239 2.694 4.165 . 0 0 "[ . 1 . 2]" 1
1221 1 82 LYS QG 1 100 LEU HA 5.210 . 5.210 3.872 2.534 5.267 0.057 12 0 "[ . 1 . 2]" 1
1222 1 42 VAL MG2 1 113 LYS HE2 4.740 . 4.740 3.137 2.221 4.645 . 0 0 "[ . 1 . 2]" 1
1223 1 33 PHE QD 1 86 SER HB2 5.470 . 5.470 3.212 1.964 4.076 . 0 0 "[ . 1 . 2]" 1
1224 1 54 PHE QD 1 108 MET ME 4.670 . 4.670 3.441 2.294 4.670 . 0 0 "[ . 1 . 2]" 1
1225 1 54 PHE HA 1 54 PHE QD 4.180 . 4.180 2.541 2.112 3.158 . 0 0 "[ . 1 . 2]" 1
1226 1 54 PHE H 1 54 PHE QD 4.770 . 4.770 4.255 4.194 4.355 . 0 0 "[ . 1 . 2]" 1
1227 1 54 PHE QE 1 59 LEU MD2 4.210 . 4.210 2.633 1.860 3.633 . 0 0 "[ . 1 . 2]" 1
1228 1 20 LEU MD2 1 95 PHE QD 5.340 . 5.340 4.745 3.647 5.354 0.014 16 0 "[ . 1 . 2]" 1
1229 1 22 LEU MD2 1 95 PHE QD 5.510 . 5.510 3.026 2.626 4.084 . 0 0 "[ . 1 . 2]" 1
1230 1 94 LEU MD2 1 95 PHE QD 4.800 . 4.800 4.679 4.187 4.940 0.140 19 0 "[ . 1 . 2]" 1
1231 1 95 PHE QD 1 112 VAL MG1 4.230 . 4.230 3.225 2.512 3.895 . 0 0 "[ . 1 . 2]" 1
1232 1 94 LEU HA 1 95 PHE QD 4.780 . 4.780 3.670 3.293 4.038 . 0 0 "[ . 1 . 2]" 1
1233 1 95 PHE H 1 95 PHE QD 4.380 . 4.380 2.705 2.469 2.964 . 0 0 "[ . 1 . 2]" 1
1234 1 95 PHE QE 1 122 LEU HA 4.550 . 4.550 3.365 2.320 4.595 0.045 4 0 "[ . 1 . 2]" 1
1235 1 20 LEU MD2 1 125 PHE QD 4.130 . 4.130 2.749 2.078 3.555 . 0 0 "[ . 1 . 2]" 1
1236 1 122 LEU MD1 1 125 PHE QD 4.590 . 4.590 3.747 3.193 4.270 . 0 0 "[ . 1 . 2]" 1
1237 1 22 LEU MD1 1 125 PHE QD 4.210 . 4.210 2.430 1.721 3.583 . 0 0 "[ . 1 . 2]" 1
1238 1 125 PHE HA 1 125 PHE QD 4.370 . 4.370 2.771 2.471 3.023 . 0 0 "[ . 1 . 2]" 1
1239 1 125 PHE H 1 125 PHE QD 5.200 . 5.200 4.237 4.214 4.275 . 0 0 "[ . 1 . 2]" 1
1240 1 125 PHE QE 1 129 LEU MD1 4.540 . 4.540 2.453 2.067 3.875 . 0 0 "[ . 1 . 2]" 1
1241 1 68 ILE MG 1 125 PHE QE 5.780 . 5.780 3.858 3.497 4.138 . 0 0 "[ . 1 . 2]" 1
1242 1 22 LEU MD1 1 125 PHE QE 4.620 . 4.620 2.814 2.319 3.760 . 0 0 "[ . 1 . 2]" 1
1243 1 97 THR MG 1 125 PHE QE 4.640 . 4.640 3.129 2.254 3.448 . 0 0 "[ . 1 . 2]" 1
1244 1 68 ILE MD 1 125 PHE HZ 4.550 . 4.550 2.807 2.336 3.274 . 0 0 "[ . 1 . 2]" 1
1245 1 125 PHE HZ 1 129 LEU MD1 4.780 . 4.780 3.806 3.075 4.655 . 0 0 "[ . 1 . 2]" 1
1246 1 87 ALA MB 1 125 PHE HZ 4.760 . 4.760 3.340 3.066 4.126 . 0 0 "[ . 1 . 2]" 1
1247 1 97 THR HG1 1 125 PHE HZ 4.820 . 4.820 3.243 2.748 4.372 . 0 0 "[ . 1 . 2]" 1
1248 1 28 LEU MD2 1 32 TYR QD 3.740 . 3.740 2.500 2.186 2.841 . 0 0 "[ . 1 . 2]" 1
1249 1 28 LEU MD1 1 32 TYR QD 3.870 . 3.870 2.217 1.978 2.644 . 0 0 "[ . 1 . 2]" 1
1250 1 32 TYR QD 1 94 LEU HG 5.340 . 5.340 5.287 4.897 5.435 0.095 8 0 "[ . 1 . 2]" 1
1251 1 28 LEU HB3 1 32 TYR QD 4.210 . 4.210 2.239 1.882 2.569 . 0 0 "[ . 1 . 2]" 1
1252 1 28 LEU HG 1 32 TYR QD 4.730 . 4.730 4.395 4.211 4.673 . 0 0 "[ . 1 . 2]" 1
1253 1 32 TYR QD 1 33 PHE HA 4.860 . 4.860 3.334 2.995 3.797 . 0 0 "[ . 1 . 2]" 1
1254 1 32 TYR HA 1 32 TYR QD 3.970 . 3.970 2.879 2.544 3.153 . 0 0 "[ . 1 . 2]" 1
1255 1 32 TYR QD 1 33 PHE H 4.370 . 4.370 3.511 3.239 3.784 . 0 0 "[ . 1 . 2]" 1
1256 1 28 LEU MD2 1 32 TYR QE 3.580 . 3.580 2.627 2.299 2.848 . 0 0 "[ . 1 . 2]" 1
1257 1 72 ALA MB 1 84 TYR QD 4.060 . 4.060 1.997 1.635 2.311 . 0 0 "[ . 1 . 2]" 1
1258 1 84 TYR HA 1 84 TYR QD 4.240 . 4.240 2.414 2.056 2.937 . 0 0 "[ . 1 . 2]" 1
1259 1 33 PHE QE 1 84 TYR QD 4.160 . 4.160 2.412 1.722 2.943 . 0 0 "[ . 1 . 2]" 1
1260 1 84 TYR QD 1 85 LEU H 4.620 . 4.620 3.870 3.616 4.329 . 0 0 "[ . 1 . 2]" 1
1261 1 82 LYS QG 1 84 TYR QE 4.710 . 4.710 3.486 2.588 4.483 . 0 0 "[ . 1 . 2]" 1
1262 1 72 ALA MB 1 84 TYR QE 4.540 . 4.540 3.840 3.495 4.213 . 0 0 "[ . 1 . 2]" 1
1263 1 82 LYS QB 1 84 TYR QE 5.130 . 5.130 4.485 3.000 5.208 0.078 2 0 "[ . 1 . 2]" 1
1264 1 82 LYS QD 1 84 TYR QE 4.480 . 4.480 3.024 2.521 3.999 . 0 0 "[ . 1 . 2]" 1
1265 1 84 TYR QE 1 98 GLU HG2 4.840 . 4.840 4.330 2.985 4.869 0.029 7 0 "[ . 1 . 2]" 1
1266 1 84 TYR QE 1 98 GLU HG3 4.840 . 4.840 2.894 2.009 3.554 . 0 0 "[ . 1 . 2]" 1
1267 1 84 TYR QE 1 98 GLU HB2 4.420 . 4.420 2.864 2.299 3.404 . 0 0 "[ . 1 . 2]" 1
1268 1 84 TYR QE 1 98 GLU HB3 4.420 . 4.420 4.309 3.870 4.596 0.176 11 0 "[ . 1 . 2]" 1
1269 1 82 LYS QE 1 84 TYR QE 4.820 . 4.820 3.806 1.949 4.861 0.041 8 0 "[ . 1 . 2]" 1
1270 1 37 TRP HD1 1 38 LEU MD2 3.780 . 3.780 2.176 1.927 2.527 . 0 0 "[ . 1 . 2]" 1
1271 1 37 TRP HD1 1 38 LEU HG 4.290 . 4.290 3.090 2.571 3.441 . 0 0 "[ . 1 . 2]" 1
1272 1 37 TRP HD1 1 38 LEU HA 4.460 . 4.460 3.533 3.354 3.912 . 0 0 "[ . 1 . 2]" 1
1273 1 37 TRP HH2 1 42 VAL MG2 4.980 . 4.980 4.535 3.356 5.100 0.120 2 0 "[ . 1 . 2]" 1
1274 1 37 TRP HH2 1 98 GLU HB2 4.770 . 4.770 2.808 2.111 3.216 . 0 0 "[ . 1 . 2]" 1
1275 1 37 TRP HH2 1 98 GLU HB3 4.770 . 4.770 2.665 2.349 3.171 . 0 0 "[ . 1 . 2]" 1
1276 1 37 TRP HH2 1 111 SER HB2 4.950 . 4.950 2.950 1.915 4.387 . 0 0 "[ . 1 . 2]" 1
1277 1 37 TRP HH2 1 111 SER HB3 4.950 . 4.950 2.743 2.020 4.184 . 0 0 "[ . 1 . 2]" 1
1278 1 37 TRP HH2 1 98 GLU H 4.570 . 4.570 2.887 2.504 3.454 . 0 0 "[ . 1 . 2]" 1
1279 1 50 TRP HD1 1 101 LEU MD2 4.530 . 4.530 3.893 2.772 4.618 0.088 1 0 "[ . 1 . 2]" 1
1280 1 50 TRP HD1 1 101 LEU MD1 4.820 . 4.820 3.521 2.184 4.310 . 0 0 "[ . 1 . 2]" 1
1281 1 50 TRP HE3 1 133 ILE MG 4.570 . 4.570 2.797 1.939 3.374 . 0 0 "[ . 1 . 2]" 1
1282 1 50 TRP HA 1 50 TRP HE3 4.380 . 4.380 3.328 2.493 4.173 . 0 0 "[ . 1 . 2]" 1
1283 1 50 TRP HH2 1 133 ILE MG 4.470 . 4.470 3.615 2.886 4.365 . 0 0 "[ . 1 . 2]" 1
1284 1 50 TRP HH2 1 136 ILE MG 4.870 . 4.870 2.623 2.035 4.312 . 0 0 "[ . 1 . 2]" 1
1285 1 50 TRP HH2 1 133 ILE MD 5.780 . 5.780 5.284 3.398 5.905 0.125 12 0 "[ . 1 . 2]" 1
1286 1 50 TRP HH2 1 136 ILE MD 5.780 . 5.780 3.121 1.777 5.502 . 0 0 "[ . 1 . 2]" 1
1287 1 50 TRP HZ2 1 136 ILE MG 4.470 . 4.470 2.601 2.011 4.501 0.031 11 0 "[ . 1 . 2]" 1
1288 1 50 TRP HZ2 1 54 PHE HA 4.430 . 4.430 2.848 1.876 4.483 0.053 2 0 "[ . 1 . 2]" 1
1289 1 50 TRP HZ3 1 133 ILE MG 4.220 . 4.220 1.936 1.595 3.039 . 0 0 "[ . 1 . 2]" 1
1290 1 74 SER HB2 1 81 TRP HD1 4.750 . 4.750 3.030 2.143 4.620 . 0 0 "[ . 1 . 2]" 1
1291 1 76 ALA HA 1 81 TRP HD1 4.460 . 4.460 3.875 3.368 4.364 . 0 0 "[ . 1 . 2]" 1
1292 1 81 TRP HA 1 81 TRP HD1 4.880 . 4.880 3.258 3.143 3.360 . 0 0 "[ . 1 . 2]" 1
1293 1 81 TRP HE3 1 101 LEU HB2 5.200 . 5.200 2.743 2.436 3.228 . 0 0 "[ . 1 . 2]" 1
1294 1 81 TRP HE3 1 99 LEU QB 4.840 . 4.840 3.745 3.537 4.192 . 0 0 "[ . 1 . 2]" 1
1295 1 81 TRP HE3 1 101 LEU HB3 5.200 . 5.200 2.867 2.424 3.337 . 0 0 "[ . 1 . 2]" 1
1296 1 81 TRP HE3 1 101 LEU H 4.560 . 4.560 2.644 1.819 3.378 . 0 0 "[ . 1 . 2]" 1
1297 1 59 LEU MD2 1 81 TRP HH2 4.040 . 4.040 2.132 1.785 2.397 . 0 0 "[ . 1 . 2]" 1
1298 1 81 TRP HH2 1 83 ALA MB 3.970 . 3.970 2.533 2.346 2.712 . 0 0 "[ . 1 . 2]" 1
1299 1 81 TRP HH2 1 99 LEU QB 4.910 . 4.910 2.969 2.348 3.765 . 0 0 "[ . 1 . 2]" 1
1300 1 54 PHE HZ 1 81 TRP HH2 4.860 . 4.860 3.323 2.735 4.602 . 0 0 "[ . 1 . 2]" 1
1301 1 59 LEU MD2 1 81 TRP HZ2 4.630 . 4.630 3.048 2.477 3.557 . 0 0 "[ . 1 . 2]" 1
1302 1 81 TRP HZ2 1 83 ALA MB 4.230 . 4.230 2.856 2.344 3.244 . 0 0 "[ . 1 . 2]" 1
1303 1 56 PRO HB3 1 81 TRP HZ2 4.600 . 4.600 3.025 2.265 3.812 . 0 0 "[ . 1 . 2]" 1
1304 1 56 PRO HB2 1 81 TRP HZ2 4.600 . 4.600 3.780 2.856 4.609 0.009 6 0 "[ . 1 . 2]" 1
1305 1 73 MET HG2 1 81 TRP HZ2 5.170 . 5.170 3.274 2.961 4.579 . 0 0 "[ . 1 . 2]" 1
1306 1 81 TRP HZ3 1 99 LEU MD1 4.640 . 4.640 3.028 2.497 3.647 . 0 0 "[ . 1 . 2]" 1
1307 1 81 TRP HZ3 1 99 LEU QB 4.670 . 4.670 2.003 1.839 2.376 . 0 0 "[ . 1 . 2]" 1
1308 1 44 HIS HD2 1 126 ILE MG 4.750 . 4.750 3.504 2.919 3.929 . 0 0 "[ . 1 . 2]" 1
1309 1 44 HIS HD2 1 110 ILE MG 4.920 . 4.920 4.049 3.509 4.930 0.010 9 0 "[ . 1 . 2]" 1
1310 1 44 HIS HD2 1 112 VAL MG2 4.150 . 4.150 3.060 2.309 3.989 . 0 0 "[ . 1 . 2]" 1
1311 1 44 HIS HA 1 44 HIS HD2 4.730 . 4.730 4.460 4.173 4.722 . 0 0 "[ . 1 . 2]" 1
1312 1 53 GLU QB 1 55 HIS HD2 4.430 . 4.430 3.814 2.170 4.548 0.118 7 0 "[ . 1 . 2]" 1
1313 1 55 HIS HA 1 55 HIS HD2 4.790 . 4.790 3.822 2.694 4.521 . 0 0 "[ . 1 . 2]" 1
1314 1 33 PHE QD 1 86 SER HB3 5.470 . 5.470 3.252 2.148 4.378 . 0 0 "[ . 1 . 2]" 1
1315 1 94 LEU MD1 1 95 PHE QD 4.990 . 4.990 4.727 4.297 5.124 0.134 2 0 "[ . 1 . 2]" 1
1316 1 112 VAL MG2 1 125 PHE QD 5.130 . 5.130 2.868 2.375 3.235 . 0 0 "[ . 1 . 2]" 1
1317 1 74 SER HB3 1 81 TRP HD1 4.750 . 4.750 3.225 2.491 3.697 . 0 0 "[ . 1 . 2]" 1
1318 1 73 MET HG3 1 81 TRP HZ2 5.170 . 5.170 2.152 1.796 4.160 . 0 0 "[ . 1 . 2]" 1
1319 1 29 THR H 1 32 TYR QD 4.600 . 4.600 4.140 3.792 4.410 . 0 0 "[ . 1 . 2]" 1
1320 1 32 TYR HA 1 32 TYR QE 4.990 . 4.990 4.675 4.446 4.826 . 0 0 "[ . 1 . 2]" 1
1321 1 33 PHE QD 1 84 TYR QD 4.840 . 4.840 4.027 3.186 4.573 . 0 0 "[ . 1 . 2]" 1
1322 1 37 TRP HE3 1 96 LEU HB3 4.900 . 4.900 1.997 1.728 2.535 . 0 0 "[ . 1 . 2]" 1
1323 1 37 TRP HE3 1 96 LEU HB2 4.900 . 4.900 2.615 2.198 3.031 . 0 0 "[ . 1 . 2]" 1
1324 1 13 GLU QB 1 14 LEU H 4.620 . 4.620 3.287 2.181 4.059 . 0 0 "[ . 1 . 2]" 1
1325 1 14 LEU H 1 14 LEU QB 3.700 . 3.700 2.447 2.301 2.743 . 0 0 "[ . 1 . 2]" 1
1326 1 14 LEU QB 1 15 PRO QD 3.730 . 3.730 2.752 2.054 3.621 . 0 0 "[ . 1 . 2]" 1
1327 1 14 LEU MD1 1 15 PRO QD 5.620 . 5.620 4.224 2.280 4.578 . 0 0 "[ . 1 . 2]" 1
1328 1 14 LEU MD2 1 15 PRO QD 4.300 . 4.300 3.933 3.332 4.397 0.097 15 0 "[ . 1 . 2]" 1
1329 1 16 ASP H 1 16 ASP QB 3.810 . 3.810 2.458 2.226 3.295 . 0 0 "[ . 1 . 2]" 1
1330 1 20 LEU H 1 20 LEU QB 3.640 . 3.640 2.277 2.203 2.446 . 0 0 "[ . 1 . 2]" 1
1331 1 20 LEU QB 1 124 SER QB 4.220 . 4.220 2.678 1.946 3.532 . 0 0 "[ . 1 . 2]" 1
1332 1 20 LEU MD2 1 125 PHE QB 4.830 . 4.830 2.490 2.017 3.060 . 0 0 "[ . 1 . 2]" 1
1333 1 21 MET H 1 21 MET QB 3.860 . 3.860 2.517 2.277 3.099 . 0 0 "[ . 1 . 2]" 1
1334 1 21 MET QB 1 90 ASP H 5.220 . 5.220 3.138 2.237 4.154 . 0 0 "[ . 1 . 2]" 1
1335 1 22 LEU MD1 1 68 ILE QG 4.900 . 4.900 3.315 2.811 3.811 . 0 0 "[ . 1 . 2]" 1
1336 1 23 VAL HA 1 24 PRO QG 5.370 . 5.370 3.973 3.738 4.269 . 0 0 "[ . 1 . 2]" 1
1337 1 23 VAL MG2 1 88 GLN QB 4.290 . 4.290 3.328 2.312 4.257 . 0 0 "[ . 1 . 2]" 1
1338 1 23 VAL MG2 1 88 GLN QG 4.960 . 4.960 3.810 2.687 4.824 . 0 0 "[ . 1 . 2]" 1
1339 1 23 VAL MG2 1 90 ASP QB 4.410 . 4.410 3.908 3.029 4.531 0.121 10 0 "[ . 1 . 2]" 1
1340 1 24 PRO QB 1 25 ASN H 4.300 . 4.300 3.514 2.344 3.955 . 0 0 "[ . 1 . 2]" 1
1341 1 24 PRO QD 1 67 ASN QD 4.920 . 4.920 3.235 1.870 4.701 . 0 0 "[ . 1 . 2]" 1
1342 1 25 ASN H 1 88 GLN QB 5.320 . 5.320 4.266 2.998 5.147 . 0 0 "[ . 1 . 2]" 1
1343 1 25 ASN QB 1 26 ARG H 4.600 . 4.600 2.560 1.840 3.604 . 0 0 "[ . 1 . 2]" 1
1344 1 25 ASN HD21 1 88 GLN QB 5.170 . 5.170 3.552 2.338 4.608 . 0 0 "[ . 1 . 2]" 1
1345 1 25 ASN HD22 1 88 GLN QB 5.120 . 5.120 4.319 2.695 5.156 0.036 13 0 "[ . 1 . 2]" 1
1346 1 26 ARG H 1 26 ARG QG 4.790 . 4.790 2.739 2.080 3.996 . 0 0 "[ . 1 . 2]" 1
1347 1 26 ARG QB 1 27 GLN H 4.360 . 4.360 3.172 2.428 3.534 . 0 0 "[ . 1 . 2]" 1
1348 1 26 ARG QD 1 27 GLN H 5.220 . 5.220 4.392 3.671 5.215 . 0 0 "[ . 1 . 2]" 1
1349 1 27 GLN H 1 27 GLN QB 3.640 . 3.640 2.546 2.278 2.773 . 0 0 "[ . 1 . 2]" 1
1350 1 27 GLN QB 1 69 GLN HE21 5.190 . 5.190 3.981 2.392 5.261 0.071 10 0 "[ . 1 . 2]" 1
1351 1 27 GLN QB 1 69 GLN HE22 5.070 . 5.070 3.595 1.576 5.137 0.067 4 0 "[ . 1 . 2]" 1
1352 1 28 LEU MD1 1 86 SER QB 4.030 . 4.030 2.421 1.808 2.958 . 0 0 "[ . 1 . 2]" 1
1353 1 28 LEU MD2 1 32 TYR QB 4.990 . 4.990 3.589 3.306 3.842 . 0 0 "[ . 1 . 2]" 1
1354 1 31 ASP H 1 32 TYR QB 4.980 . 4.980 4.567 4.375 4.675 . 0 0 "[ . 1 . 2]" 1
1355 1 31 ASP HA 1 34 GLU QB 4.160 . 4.160 2.898 2.474 3.347 . 0 0 "[ . 1 . 2]" 1
1356 1 31 ASP HA 1 34 GLU QG 5.190 . 5.190 4.644 3.083 5.256 0.066 3 0 "[ . 1 . 2]" 1
1357 1 32 TYR QB 1 33 PHE H 4.200 . 4.200 2.490 2.325 2.658 . 0 0 "[ . 1 . 2]" 1
1358 1 33 PHE QD 1 86 SER QB 4.580 . 4.580 2.587 1.947 3.737 . 0 0 "[ . 1 . 2]" 1
1359 1 33 PHE QE 1 86 SER QB 5.120 . 5.120 2.714 1.873 4.146 . 0 0 "[ . 1 . 2]" 1
1360 1 33 PHE QE 1 96 LEU QB 5.070 . 5.070 2.925 2.337 3.315 . 0 0 "[ . 1 . 2]" 1
1361 1 34 GLU H 1 34 GLU QB 3.390 . 3.390 2.247 2.190 2.361 . 0 0 "[ . 1 . 2]" 1
1362 1 34 GLU H 1 34 GLU QG 4.110 . 4.110 3.944 2.560 4.091 . 0 0 "[ . 1 . 2]" 1
1363 1 34 GLU H 1 35 LYS QB 5.150 . 5.150 4.543 4.254 4.889 . 0 0 "[ . 1 . 2]" 1
1364 1 34 GLU QB 1 35 LYS H 3.820 . 3.820 2.511 2.285 2.677 . 0 0 "[ . 1 . 2]" 1
1365 1 34 GLU QB 1 35 LYS HA 5.170 . 5.170 4.151 3.809 4.284 . 0 0 "[ . 1 . 2]" 1
1366 1 34 GLU QG 1 35 LYS H 4.410 . 4.410 3.673 3.157 4.174 . 0 0 "[ . 1 . 2]" 1
1367 1 34 GLU QG 1 38 LEU MD1 4.050 . 4.050 2.525 2.101 4.073 0.023 19 0 "[ . 1 . 2]" 1
1368 1 35 LYS H 1 35 LYS QB 3.480 . 3.480 2.292 2.137 2.494 . 0 0 "[ . 1 . 2]" 1
1369 1 35 LYS QG 1 36 THR H 5.030 . 5.030 3.671 2.971 4.650 . 0 0 "[ . 1 . 2]" 1
1370 1 37 TRP HA 1 113 LYS QD 5.180 . 5.180 2.975 2.118 5.168 . 0 0 "[ . 1 . 2]" 1
1371 1 37 TRP HE3 1 96 LEU QB 4.320 . 4.320 1.915 1.708 2.279 . 0 0 "[ . 1 . 2]" 1
1372 1 37 TRP HZ2 1 98 GLU QB 4.750 . 4.750 2.854 2.389 3.440 . 0 0 "[ . 1 . 2]" 1
1373 1 37 TRP HH2 1 111 SER QB 4.170 . 4.170 2.257 1.859 2.864 . 0 0 "[ . 1 . 2]" 1
1374 1 40 LEU QB 1 113 LYS QD 5.610 . 5.610 2.536 1.703 4.349 . 0 0 "[ . 1 . 2]" 1
1375 1 40 LEU QB 1 113 LYS QE 5.540 . 5.540 3.211 2.104 4.093 . 0 0 "[ . 1 . 2]" 1
1376 1 40 LEU MD1 1 113 LYS QB 4.880 . 4.880 3.674 2.701 4.436 . 0 0 "[ . 1 . 2]" 1
1377 1 40 LEU MD2 1 113 LYS QB 5.340 . 5.340 4.989 4.238 5.784 0.444 20 0 "[ . 1 . 2]" 1
1378 1 40 LEU MD2 1 115 ASN QB 4.850 . 4.850 3.452 2.940 4.070 . 0 0 "[ . 1 . 2]" 1
1379 1 41 LYS H 1 41 LYS QB 3.650 . 3.650 2.588 2.414 2.996 . 0 0 "[ . 1 . 2]" 1
1380 1 41 LYS QB 1 42 VAL H 3.950 . 3.950 2.769 2.612 3.625 . 0 0 "[ . 1 . 2]" 1
1381 1 41 LYS QB 1 42 VAL HA 5.070 . 5.070 4.664 4.533 4.996 . 0 0 "[ . 1 . 2]" 1
1382 1 42 VAL HA 1 113 LYS QB 4.860 . 4.860 2.458 1.705 4.009 . 0 0 "[ . 1 . 2]" 1
1383 1 42 VAL MG1 1 45 GLN QB 3.820 . 3.820 2.126 1.846 2.329 . 0 0 "[ . 1 . 2]" 1
1384 1 42 VAL MG1 1 111 SER QB 4.570 . 4.570 3.374 2.332 4.364 . 0 0 "[ . 1 . 2]" 1
1385 1 42 VAL MG2 1 111 SER QB 4.610 . 4.610 3.488 2.505 4.517 . 0 0 "[ . 1 . 2]" 1
1386 1 42 VAL MG2 1 113 LYS QE 3.970 . 3.970 2.663 2.006 3.974 0.004 4 0 "[ . 1 . 2]" 1
1387 1 44 HIS QB 1 112 VAL HB 4.210 . 4.210 2.410 1.960 2.920 . 0 0 "[ . 1 . 2]" 1
1388 1 44 HIS QB 1 112 VAL MG1 4.660 . 4.660 3.514 2.979 3.929 . 0 0 "[ . 1 . 2]" 1
1389 1 44 HIS QB 1 112 VAL MG2 4.670 . 4.670 3.363 2.976 3.840 . 0 0 "[ . 1 . 2]" 1
1390 1 44 HIS QB 1 122 LEU MD2 4.570 . 4.570 1.950 1.767 2.275 . 0 0 "[ . 1 . 2]" 1
1391 1 44 HIS QB 1 126 ILE MD 4.180 . 4.180 2.517 2.163 2.798 . 0 0 "[ . 1 . 2]" 1
1392 1 44 HIS HD2 1 126 ILE QG 4.960 . 4.960 3.135 2.458 4.177 . 0 0 "[ . 1 . 2]" 1
1393 1 44 HIS HE1 1 46 GLN QB 4.800 . 4.800 3.695 2.817 4.827 0.027 12 0 "[ . 1 . 2]" 1
1394 1 45 GLN H 1 45 GLN QG 5.130 . 5.130 4.189 4.088 4.260 . 0 0 "[ . 1 . 2]" 1
1395 1 45 GLN QB 1 46 GLN H 4.630 . 4.630 3.772 3.685 3.857 . 0 0 "[ . 1 . 2]" 1
1396 1 45 GLN QG 1 46 GLN H 3.900 . 3.900 2.863 2.618 3.403 . 0 0 "[ . 1 . 2]" 1
1397 1 45 GLN QG 1 110 ILE H 5.100 . 5.100 3.780 3.159 4.525 . 0 0 "[ . 1 . 2]" 1
1398 1 45 GLN QG 1 111 SER HA 5.160 . 5.160 2.721 2.129 4.732 . 0 0 "[ . 1 . 2]" 1
1399 1 46 GLN QB 1 47 VAL H 3.860 . 3.860 3.541 2.335 3.845 . 0 0 "[ . 1 . 2]" 1
1400 1 46 GLN QB 1 110 ILE MD 4.890 . 4.890 3.586 2.730 4.390 . 0 0 "[ . 1 . 2]" 1
1401 1 46 GLN QG 1 47 VAL H 4.470 . 4.470 3.187 2.583 4.498 0.028 12 0 "[ . 1 . 2]" 1
1402 1 46 GLN QG 1 48 LEU MD1 5.440 . 5.440 3.378 2.071 5.020 . 0 0 "[ . 1 . 2]" 1
1403 1 47 VAL MG2 1 109 GLN QG 3.870 . 3.870 2.032 1.801 2.419 . 0 0 "[ . 1 . 2]" 1
1404 1 48 LEU H 1 108 MET QB 5.010 . 5.010 3.542 3.101 3.891 . 0 0 "[ . 1 . 2]" 1
1405 1 48 LEU HB3 1 108 MET QB 4.800 . 4.800 4.369 3.774 4.762 . 0 0 "[ . 1 . 2]" 1
1406 1 48 LEU MD1 1 130 GLU QB 5.320 . 5.320 4.304 3.041 5.182 . 0 0 "[ . 1 . 2]" 1
1407 1 48 LEU MD1 1 130 GLU QG 4.430 . 4.430 3.312 1.680 4.460 0.030 14 0 "[ . 1 . 2]" 1
1408 1 48 LEU MD2 1 49 PRO QG 4.430 . 4.430 4.430 4.144 4.685 0.255 20 0 "[ . 1 . 2]" 1
1409 1 49 PRO QB 1 50 TRP H 4.120 . 4.120 3.483 2.500 3.824 . 0 0 "[ . 1 . 2]" 1
1410 1 49 PRO QG 1 50 TRP H 4.970 . 4.970 4.693 4.057 4.873 . 0 0 "[ . 1 . 2]" 1
1411 1 50 TRP HA 1 137 GLU QG 5.070 . 5.070 3.636 2.341 4.681 . 0 0 "[ . 1 . 2]" 1
1412 1 50 TRP QB 1 101 LEU MD1 4.900 . 4.900 2.294 1.999 2.591 . 0 0 "[ . 1 . 2]" 1
1413 1 50 TRP QB 1 108 MET H 5.110 . 5.110 3.574 2.761 4.213 . 0 0 "[ . 1 . 2]" 1
1414 1 50 TRP HE3 1 108 MET QB 4.420 . 4.420 3.129 2.087 3.571 . 0 0 "[ . 1 . 2]" 1
1415 1 51 ARG HA 1 51 ARG QG 3.930 . 3.930 2.613 2.384 3.396 . 0 0 "[ . 1 . 2]" 1
1416 1 51 ARG QG 1 52 GLY H 4.970 . 4.970 3.638 2.152 4.849 . 0 0 "[ . 1 . 2]" 1
1417 1 55 HIS QB 1 58 THR H 4.390 . 4.390 2.681 2.247 3.178 . 0 0 "[ . 1 . 2]" 1
1418 1 55 HIS QB 1 58 THR HB 4.390 . 4.390 2.173 1.822 2.540 . 0 0 "[ . 1 . 2]" 1
1419 1 56 PRO HA 1 59 LEU QB 4.410 . 4.410 2.398 2.003 3.027 . 0 0 "[ . 1 . 2]" 1
1420 1 56 PRO QB 1 57 ASP H 4.260 . 4.260 3.151 2.516 3.448 . 0 0 "[ . 1 . 2]" 1
1421 1 56 PRO QB 1 57 ASP HA 4.660 . 4.660 4.142 3.827 4.389 . 0 0 "[ . 1 . 2]" 1
1422 1 56 PRO QG 1 57 ASP H 4.670 . 4.670 2.714 2.132 3.892 . 0 0 "[ . 1 . 2]" 1
1423 1 56 PRO QG 1 76 ALA H 5.210 . 5.210 3.415 2.430 4.032 . 0 0 "[ . 1 . 2]" 1
1424 1 56 PRO QG 1 81 TRP HE1 4.590 . 4.590 3.441 2.647 3.961 . 0 0 "[ . 1 . 2]" 1
1425 1 56 PRO QD 1 57 ASP H 4.740 . 4.740 2.556 2.160 2.777 . 0 0 "[ . 1 . 2]" 1
1426 1 57 ASP H 1 57 ASP QB 3.830 . 3.830 2.529 2.432 2.636 . 0 0 "[ . 1 . 2]" 1
1427 1 57 ASP HA 1 60 GLN QB 4.270 . 4.270 2.873 2.415 3.204 . 0 0 "[ . 1 . 2]" 1
1428 1 57 ASP QB 1 58 THR H 4.300 . 4.300 2.468 2.264 2.704 . 0 0 "[ . 1 . 2]" 1
1429 1 59 LEU QB 1 60 GLN H 4.230 . 4.230 2.459 2.388 2.642 . 0 0 "[ . 1 . 2]" 1
1430 1 59 LEU QB 1 63 LEU MD1 4.880 . 4.880 3.780 3.616 3.982 . 0 0 "[ . 1 . 2]" 1
1431 1 59 LEU QB 1 136 ILE MD 4.710 . 4.710 2.724 2.088 3.918 . 0 0 "[ . 1 . 2]" 1
1432 1 59 LEU MD1 1 63 LEU QB 5.090 . 5.090 4.643 4.337 5.053 . 0 0 "[ . 1 . 2]" 1
1433 1 60 GLN H 1 60 GLN QG 4.470 . 4.470 3.815 2.395 4.040 . 0 0 "[ . 1 . 2]" 1
1434 1 60 GLN HA 1 63 LEU QB 5.130 . 5.130 2.633 2.419 2.829 . 0 0 "[ . 1 . 2]" 1
1435 1 60 GLN QB 1 61 MET H 4.060 . 4.060 2.525 2.369 2.696 . 0 0 "[ . 1 . 2]" 1
1436 1 60 GLN QB 1 61 MET HA 4.080 . 4.080 4.090 3.782 4.211 0.131 5 0 "[ . 1 . 2]" 1
1437 1 60 GLN QB 1 61 MET QG 4.240 . 4.240 3.300 3.088 3.453 . 0 0 "[ . 1 . 2]" 1
1438 1 60 GLN QG 1 61 MET H 5.020 . 5.020 3.945 3.499 4.509 . 0 0 "[ . 1 . 2]" 1
1439 1 60 GLN QG 1 70 THR HB 4.210 . 4.210 3.323 2.697 3.899 . 0 0 "[ . 1 . 2]" 1
1440 1 60 GLN QG 1 70 THR MG 3.990 . 3.990 2.658 2.016 3.368 . 0 0 "[ . 1 . 2]" 1
1441 1 61 MET HA 1 64 GLN QB 4.550 . 4.550 2.848 2.607 3.107 . 0 0 "[ . 1 . 2]" 1
1442 1 61 MET HA 1 64 GLN QG 4.950 . 4.950 3.337 2.434 4.427 . 0 0 "[ . 1 . 2]" 1
1443 1 63 LEU QB 1 64 GLN H 4.350 . 4.350 2.465 2.359 2.627 . 0 0 "[ . 1 . 2]" 1
1444 1 63 LEU QB 1 68 ILE H 5.210 . 5.210 3.674 3.392 3.960 . 0 0 "[ . 1 . 2]" 1
1445 1 63 LEU QB 1 68 ILE MG 4.210 . 4.210 2.855 2.616 3.218 . 0 0 "[ . 1 . 2]" 1
1446 1 63 LEU QB 1 68 ILE MD 5.080 . 5.080 4.731 4.318 5.045 . 0 0 "[ . 1 . 2]" 1
1447 1 64 GLN H 1 64 GLN QG 4.460 . 4.460 2.723 1.994 4.082 . 0 0 "[ . 1 . 2]" 1
1448 1 64 GLN QB 1 65 VAL H 4.400 . 4.400 2.730 2.500 2.912 . 0 0 "[ . 1 . 2]" 1
1449 1 66 VAL MG2 1 68 ILE QG 4.450 . 4.450 1.735 1.611 1.829 . 0 0 "[ . 1 . 2]" 1
1450 1 68 ILE H 1 68 ILE QG 4.450 . 4.450 2.518 2.389 2.632 . 0 0 "[ . 1 . 2]" 1
1451 1 68 ILE MG 1 85 LEU QB 3.940 . 3.940 2.043 1.895 2.127 . 0 0 "[ . 1 . 2]" 1
1452 1 68 ILE QG 1 125 PHE QE 5.610 . 5.610 4.134 3.674 4.488 . 0 0 "[ . 1 . 2]" 1
1453 1 68 ILE MD 1 95 PHE QB 4.890 . 4.890 4.175 3.746 4.608 . 0 0 "[ . 1 . 2]" 1
1454 1 69 GLN QB 1 71 ILE MD 5.030 . 5.030 3.503 2.749 4.136 . 0 0 "[ . 1 . 2]" 1
1455 1 69 GLN QB 1 86 SER H 4.840 . 4.840 3.317 2.657 4.764 . 0 0 "[ . 1 . 2]" 1
1456 1 69 GLN QG 1 70 THR H 4.230 . 4.230 3.010 2.166 3.990 . 0 0 "[ . 1 . 2]" 1
1457 1 69 GLN QG 1 71 ILE H 5.610 . 5.610 4.457 3.547 5.749 0.139 6 0 "[ . 1 . 2]" 1
1458 1 69 GLN QG 1 71 ILE MD 4.680 . 4.680 2.879 2.098 4.359 . 0 0 "[ . 1 . 2]" 1
1459 1 70 THR MG 1 73 MET QB 3.900 . 3.900 2.295 2.062 2.605 . 0 0 "[ . 1 . 2]" 1
1460 1 70 THR MG 1 73 MET QG 4.290 . 4.290 3.879 3.545 4.188 . 0 0 "[ . 1 . 2]" 1
1461 1 71 ILE H 1 71 ILE QG 4.630 . 4.630 2.237 2.054 2.424 . 0 0 "[ . 1 . 2]" 1
1462 1 71 ILE QG 1 72 ALA H 5.090 . 5.090 3.836 3.604 4.007 . 0 0 "[ . 1 . 2]" 1
1463 1 71 ILE QG 1 85 LEU HA 5.190 . 5.190 2.999 2.539 3.406 . 0 0 "[ . 1 . 2]" 1
1464 1 71 ILE QG 1 86 SER H 5.090 . 5.090 3.026 2.741 3.310 . 0 0 "[ . 1 . 2]" 1
1465 1 71 ILE QG 1 86 SER HA 5.610 . 5.610 4.237 4.017 4.502 . 0 0 "[ . 1 . 2]" 1
1466 1 71 ILE QG 1 86 SER QB 4.270 . 4.270 2.494 2.047 2.991 . 0 0 "[ . 1 . 2]" 1
1467 1 71 ILE MD 1 86 SER QB 4.030 . 4.030 2.392 1.778 3.140 . 0 0 "[ . 1 . 2]" 1
1468 1 73 MET QB 1 74 SER H 4.540 . 4.540 3.780 3.676 3.899 . 0 0 "[ . 1 . 2]" 1
1469 1 73 MET QB 1 81 TRP HE1 4.970 . 4.970 4.739 4.206 5.057 0.087 4 0 "[ . 1 . 2]" 1
1470 1 73 MET QB 1 81 TRP HZ2 4.510 . 4.510 3.997 3.669 4.569 0.059 4 0 "[ . 1 . 2]" 1
1471 1 73 MET QB 1 83 ALA HA 4.850 . 4.850 3.924 3.631 4.350 . 0 0 "[ . 1 . 2]" 1
1472 1 73 MET QB 1 83 ALA MB 4.210 . 4.210 3.009 2.764 3.523 . 0 0 "[ . 1 . 2]" 1
1473 1 73 MET QG 1 74 SER H 4.540 . 4.540 2.817 2.584 3.323 . 0 0 "[ . 1 . 2]" 1
1474 1 73 MET QG 1 81 TRP HE1 5.200 . 5.200 2.657 2.138 3.447 . 0 0 "[ . 1 . 2]" 1
1475 1 73 MET QG 1 81 TRP HZ2 4.380 . 4.380 2.111 1.785 3.862 . 0 0 "[ . 1 . 2]" 1
1476 1 74 SER QB 1 81 TRP HA 4.790 . 4.790 2.573 2.170 3.005 . 0 0 "[ . 1 . 2]" 1
1477 1 74 SER QB 1 81 TRP HD1 4.150 . 4.150 2.543 2.120 2.938 . 0 0 "[ . 1 . 2]" 1
1478 1 74 SER QB 1 82 LYS H 4.230 . 4.230 2.266 1.886 2.520 . 0 0 "[ . 1 . 2]" 1
1479 1 75 ARG H 1 75 ARG QB 3.530 . 3.530 2.368 2.215 2.501 . 0 0 "[ . 1 . 2]" 1
1480 1 75 ARG QB 1 76 ALA H 4.400 . 4.400 2.834 2.366 3.669 . 0 0 "[ . 1 . 2]" 1
1481 1 78 SER H 1 78 SER QB 3.680 . 3.680 2.432 2.267 2.819 . 0 0 "[ . 1 . 2]" 1
1482 1 78 SER QB 1 79 ARG H 4.370 . 4.370 3.625 3.151 3.921 . 0 0 "[ . 1 . 2]" 1
1483 1 79 ARG H 1 79 ARG QG 4.800 . 4.800 3.636 2.960 4.132 . 0 0 "[ . 1 . 2]" 1
1484 1 79 ARG HA 1 79 ARG QD 4.260 . 4.260 3.497 2.676 4.285 0.025 3 0 "[ . 1 . 2]" 1
1485 1 79 ARG QB 1 80 PRO HA 4.770 . 4.770 2.719 2.290 3.481 . 0 0 "[ . 1 . 2]" 1
1486 1 79 ARG QB 1 103 PRO HA 4.360 . 4.360 2.099 1.532 2.844 . 0 0 "[ . 1 . 2]" 1
1487 1 79 ARG QB 1 103 PRO QG 4.740 . 4.740 3.361 2.140 4.446 . 0 0 "[ . 1 . 2]" 1
1488 1 79 ARG QG 1 103 PRO HA 4.670 . 4.670 3.005 2.214 3.851 . 0 0 "[ . 1 . 2]" 1
1489 1 79 ARG QD 1 103 PRO HA 5.020 . 5.020 3.568 1.861 4.615 . 0 0 "[ . 1 . 2]" 1
1490 1 80 PRO HA 1 103 PRO QG 5.620 . 5.620 3.689 2.619 4.605 . 0 0 "[ . 1 . 2]" 1
1491 1 80 PRO QB 1 81 TRP H 4.190 . 4.190 3.456 3.066 3.687 . 0 0 "[ . 1 . 2]" 1
1492 1 80 PRO QB 1 100 LEU QD 3.540 . 3.540 1.980 1.691 2.215 . 0 0 "[ . 1 . 2]" 1
1493 1 80 PRO QG 1 100 LEU QD 3.900 . 3.900 3.146 2.471 3.568 . 0 0 "[ . 1 . 2]" 1
1494 1 81 TRP H 1 103 PRO QD 5.230 . 5.230 4.729 3.992 5.271 0.041 5 0 "[ . 1 . 2]" 1
1495 1 81 TRP QB 1 101 LEU QB 4.200 . 4.200 1.771 1.571 2.014 . 0 0 "[ . 1 . 2]" 1
1496 1 81 TRP HE3 1 101 LEU QB 4.360 . 4.360 2.489 2.218 2.921 . 0 0 "[ . 1 . 2]" 1
1497 1 83 ALA H 1 98 GLU QG 5.610 . 5.610 3.419 2.973 3.778 . 0 0 "[ . 1 . 2]" 1
1498 1 84 TYR QD 1 98 GLU QB 4.380 . 4.380 2.942 2.785 3.340 . 0 0 "[ . 1 . 2]" 1
1499 1 84 TYR QE 1 98 GLU QB 3.620 . 3.620 2.821 2.282 3.307 . 0 0 "[ . 1 . 2]" 1
1500 1 84 TYR QE 1 98 GLU QG 4.240 . 4.240 2.851 1.980 3.472 . 0 0 "[ . 1 . 2]" 1
1501 1 85 LEU QB 1 86 SER H 4.480 . 4.480 2.784 2.688 2.922 . 0 0 "[ . 1 . 2]" 1
1502 1 85 LEU QB 1 97 THR H 5.120 . 5.120 3.319 2.865 3.728 . 0 0 "[ . 1 . 2]" 1
1503 1 85 LEU QB 1 97 THR HB 4.120 . 4.120 1.814 1.620 1.977 . 0 0 "[ . 1 . 2]" 1
1504 1 85 LEU QB 1 97 THR MG 4.230 . 4.230 3.207 2.839 3.440 . 0 0 "[ . 1 . 2]" 1
1505 1 85 LEU QB 1 129 LEU MD1 5.610 . 5.610 4.736 3.821 5.449 . 0 0 "[ . 1 . 2]" 1
1506 1 86 SER QB 1 87 ALA H 4.230 . 4.230 3.015 2.581 3.493 . 0 0 "[ . 1 . 2]" 1
1507 1 86 SER QB 1 94 LEU MD1 4.860 . 4.860 3.375 2.371 4.244 . 0 0 "[ . 1 . 2]" 1
1508 1 86 SER QB 1 96 LEU MD2 4.240 . 4.240 3.168 2.501 4.155 . 0 0 "[ . 1 . 2]" 1
1509 1 88 GLN QG 1 89 ASP H 4.620 . 4.620 3.274 2.603 4.475 . 0 0 "[ . 1 . 2]" 1
1510 1 88 GLN QG 1 94 LEU MD1 5.610 . 5.610 4.676 3.681 5.355 . 0 0 "[ . 1 . 2]" 1
1511 1 88 GLN QG 1 94 LEU MD2 5.610 . 5.610 2.723 1.863 3.645 . 0 0 "[ . 1 . 2]" 1
1512 1 89 ASP H 1 93 CYS QB 5.090 . 5.090 3.567 3.116 3.851 . 0 0 "[ . 1 . 2]" 1
1513 1 92 GLY H 1 93 CYS QB 4.800 . 4.800 4.516 4.211 4.695 . 0 0 "[ . 1 . 2]" 1
1514 1 94 LEU QB 1 115 ASN QB 5.150 . 5.150 2.256 1.792 2.972 . 0 0 "[ . 1 . 2]" 1
1515 1 94 LEU MD1 1 96 LEU QB 4.960 . 4.960 4.054 3.900 4.288 . 0 0 "[ . 1 . 2]" 1
1516 1 96 LEU H 1 114 GLN QB 4.860 . 4.860 3.617 2.848 3.948 . 0 0 "[ . 1 . 2]" 1
1517 1 98 GLU H 1 111 SER QB 4.860 . 4.860 2.990 2.521 4.185 . 0 0 "[ . 1 . 2]" 1
1518 1 98 GLU QB 1 111 SER H 4.910 . 4.910 3.166 2.575 3.900 . 0 0 "[ . 1 . 2]" 1
1519 1 98 GLU QG 1 99 LEU H 5.520 . 5.520 2.877 2.513 3.260 . 0 0 "[ . 1 . 2]" 1
1520 1 100 LEU H 1 109 GLN QB 4.750 . 4.750 3.326 2.773 3.672 . 0 0 "[ . 1 . 2]" 1
1521 1 100 LEU QB 1 109 GLN H 4.680 . 4.680 3.002 2.811 3.549 . 0 0 "[ . 1 . 2]" 1
1522 1 100 LEU QB 1 109 GLN QB 3.840 . 3.840 2.072 1.889 2.373 . 0 0 "[ . 1 . 2]" 1
1523 1 100 LEU HG 1 109 GLN QB 4.830 . 4.830 4.162 3.417 4.885 0.055 17 0 "[ . 1 . 2]" 1
1524 1 100 LEU QD 1 102 GLU QG 4.050 . 4.050 3.299 2.093 3.952 . 0 0 "[ . 1 . 2]" 1
1525 1 100 LEU QD 1 109 GLN QB 3.640 . 3.640 3.015 2.432 3.532 . 0 0 "[ . 1 . 2]" 1
1526 1 101 LEU MD1 1 108 MET QB 4.190 . 4.190 2.620 2.140 3.095 . 0 0 "[ . 1 . 2]" 1
1527 1 102 GLU H 1 102 GLU QG 4.370 . 4.370 2.267 2.079 2.669 . 0 0 "[ . 1 . 2]" 1
1528 1 102 GLU HA 1 103 PRO QG 4.780 . 4.780 3.948 3.727 4.138 . 0 0 "[ . 1 . 2]" 1
1529 1 102 GLU QB 1 103 PRO QD 4.000 . 4.000 2.439 2.151 2.784 . 0 0 "[ . 1 . 2]" 1
1530 1 102 GLU QG 1 103 PRO QD 4.850 . 4.850 3.690 3.261 4.091 . 0 0 "[ . 1 . 2]" 1
1531 1 105 ASN QB 1 107 GLU H 4.440 . 4.440 3.596 2.941 4.446 0.006 14 0 "[ . 1 . 2]" 1
1532 1 107 GLU H 1 107 GLU QG 4.180 . 4.180 3.669 3.036 4.198 0.018 5 0 "[ . 1 . 2]" 1
1533 1 108 MET QB 1 110 ILE MD 4.180 . 4.180 3.053 2.659 4.303 0.123 14 0 "[ . 1 . 2]" 1
1534 1 109 GLN H 1 109 GLN QB 3.810 . 3.810 2.434 2.259 2.519 . 0 0 "[ . 1 . 2]" 1
1535 1 109 GLN QB 1 109 GLN HE21 4.010 . 4.010 2.840 1.830 3.848 . 0 0 "[ . 1 . 2]" 1
1536 1 109 GLN QB 1 109 GLN HE22 4.410 . 4.410 3.677 3.265 4.178 . 0 0 "[ . 1 . 2]" 1
1537 1 109 GLN QB 1 110 ILE H 4.530 . 4.530 3.377 3.051 3.873 . 0 0 "[ . 1 . 2]" 1
1538 1 109 GLN QG 1 110 ILE H 4.670 . 4.670 4.105 2.918 4.402 . 0 0 "[ . 1 . 2]" 1
1539 1 113 LYS H 1 113 LYS QE 5.610 . 5.610 4.760 4.385 5.184 . 0 0 "[ . 1 . 2]" 1
1540 1 114 GLN QB 1 115 ASN H 4.320 . 4.320 2.449 2.171 2.824 . 0 0 "[ . 1 . 2]" 1
1541 1 114 GLN QE 1 117 ALA MB 5.020 . 5.020 2.897 2.193 4.434 . 0 0 "[ . 1 . 2]" 1
1542 1 114 GLN QE 1 118 ARG H 4.190 . 4.190 2.711 2.176 3.884 . 0 0 "[ . 1 . 2]" 1
1543 1 114 GLN QE 1 118 ARG QB 4.960 . 4.960 4.243 3.416 4.938 . 0 0 "[ . 1 . 2]" 1
1544 1 114 GLN QE 1 122 LEU H 4.710 . 4.710 3.256 2.360 3.998 . 0 0 "[ . 1 . 2]" 1
1545 1 114 GLN QE 1 122 LEU HA 5.020 . 5.020 3.103 1.907 4.661 . 0 0 "[ . 1 . 2]" 1
1546 1 114 GLN QE 1 122 LEU QB 4.990 . 4.990 2.252 1.670 4.274 . 0 0 "[ . 1 . 2]" 1
1547 1 116 GLU H 1 116 GLU QB 3.840 . 3.840 2.591 2.440 2.780 . 0 0 "[ . 1 . 2]" 1
1548 1 116 GLU QB 1 117 ALA H 4.220 . 4.220 3.526 3.329 3.639 . 0 0 "[ . 1 . 2]" 1
1549 1 118 ARG H 1 118 ARG QB 3.820 . 3.820 2.455 2.325 2.614 . 0 0 "[ . 1 . 2]" 1
1550 1 118 ARG QB 1 121 THR H 4.660 . 4.660 2.377 1.807 2.964 . 0 0 "[ . 1 . 2]" 1
1551 1 118 ARG QD 1 121 THR H 5.130 . 5.130 3.641 2.902 4.527 . 0 0 "[ . 1 . 2]" 1
1552 1 118 ARG QD 1 121 THR MG 4.430 . 4.430 2.252 1.695 3.742 . 0 0 "[ . 1 . 2]" 1
1553 1 119 THR HA 1 122 LEU QB 4.440 . 4.440 2.974 2.556 3.301 . 0 0 "[ . 1 . 2]" 1
1554 1 119 THR MG 1 122 LEU QB 4.630 . 4.630 4.205 3.533 4.658 0.028 3 0 "[ . 1 . 2]" 1
1555 1 122 LEU QB 1 123 ASN H 3.870 . 3.870 2.411 2.352 2.533 . 0 0 "[ . 1 . 2]" 1
1556 1 122 LEU QB 1 126 ILE MD 4.790 . 4.790 3.820 3.593 4.017 . 0 0 "[ . 1 . 2]" 1
1557 1 122 LEU MD1 1 125 PHE QB 5.070 . 5.070 3.409 3.113 3.946 . 0 0 "[ . 1 . 2]" 1
1558 1 122 LEU MD1 1 126 ILE QG 3.920 . 3.920 2.729 2.419 3.010 . 0 0 "[ . 1 . 2]" 1
1559 1 123 ASN HA 1 126 ILE QG 5.610 . 5.610 3.583 3.034 4.154 . 0 0 "[ . 1 . 2]" 1
1560 1 124 SER H 1 124 SER QB 3.690 . 3.690 2.374 2.232 2.658 . 0 0 "[ . 1 . 2]" 1
1561 1 124 SER QB 1 125 PHE H 4.670 . 4.670 2.818 2.520 3.541 . 0 0 "[ . 1 . 2]" 1
1562 1 125 PHE QB 1 126 ILE H 4.260 . 4.260 2.538 2.387 2.707 . 0 0 "[ . 1 . 2]" 1
1563 1 126 ILE H 1 126 ILE QG 3.790 . 3.790 2.109 2.029 2.242 . 0 0 "[ . 1 . 2]" 1
1564 1 126 ILE HA 1 129 LEU QB 4.340 . 4.340 2.687 2.254 3.016 . 0 0 "[ . 1 . 2]" 1
1565 1 126 ILE MG 1 130 GLU QB 5.200 . 5.200 3.994 3.804 4.452 . 0 0 "[ . 1 . 2]" 1
1566 1 126 ILE MG 1 130 GLU QG 4.220 . 4.220 2.404 2.244 2.721 . 0 0 "[ . 1 . 2]" 1
1567 1 126 ILE QG 1 127 SER H 4.820 . 4.820 4.052 3.944 4.153 . 0 0 "[ . 1 . 2]" 1
1568 1 127 SER HA 1 130 GLU QB 4.430 . 4.430 2.542 1.994 2.966 . 0 0 "[ . 1 . 2]" 1
1569 1 127 SER HA 1 130 GLU QG 4.960 . 4.960 3.040 2.248 3.823 . 0 0 "[ . 1 . 2]" 1
1570 1 129 LEU H 1 129 LEU QB 3.460 . 3.460 2.443 2.072 2.601 . 0 0 "[ . 1 . 2]" 1
1571 1 129 LEU H 1 130 GLU QG 5.090 . 5.090 4.576 4.297 4.793 . 0 0 "[ . 1 . 2]" 1
1572 1 130 GLU H 1 130 GLU QB 3.770 . 3.770 2.423 2.288 2.585 . 0 0 "[ . 1 . 2]" 1
1573 1 130 GLU H 1 130 GLU QG 3.960 . 3.960 2.367 2.183 2.541 . 0 0 "[ . 1 . 2]" 1
1574 1 130 GLU QB 1 131 THR H 3.950 . 3.950 2.639 2.364 2.844 . 0 0 "[ . 1 . 2]" 1
1575 1 130 GLU QG 1 131 THR H 5.080 . 5.080 4.168 3.896 4.324 . 0 0 "[ . 1 . 2]" 1
1576 1 130 GLU QG 1 133 ILE MD 5.240 . 5.240 4.555 2.654 5.346 0.106 15 0 "[ . 1 . 2]" 1
1577 1 133 ILE HA 1 136 ILE QG 4.550 . 4.550 3.450 2.046 4.304 . 0 0 "[ . 1 . 2]" 1
1578 1 136 ILE H 1 136 ILE QG 3.730 . 3.730 2.265 2.018 2.615 . 0 0 "[ . 1 . 2]" 1
1579 1 136 ILE HA 1 137 GLU QG 5.600 . 5.600 5.201 4.332 6.520 0.920 5 1 "[ + 1 . 2]" 1
1580 1 136 ILE QG 1 137 GLU H 5.040 . 5.040 4.031 3.749 4.314 . 0 0 "[ . 1 . 2]" 1
1581 1 137 GLU H 1 137 GLU QB 3.570 . 3.570 2.501 2.207 3.447 . 0 0 "[ . 1 . 2]" 1
1582 1 137 GLU H 1 137 GLU QG 4.090 . 4.090 2.658 2.010 4.109 0.019 5 0 "[ . 1 . 2]" 1
1583 1 137 GLU QB 1 138 GLU H 4.460 . 4.460 3.069 2.023 4.078 . 0 0 "[ . 1 . 2]" 1
1584 1 138 GLU H 1 138 GLU QB 3.720 . 3.720 2.791 2.204 3.413 . 0 0 "[ . 1 . 2]" 1
1585 1 138 GLU H 1 138 GLU QG 4.280 . 4.280 3.038 2.032 4.325 0.045 10 0 "[ . 1 . 2]" 1
1586 1 138 GLU QB 1 139 ILE H 4.620 . 4.620 3.281 2.052 4.083 . 0 0 "[ . 1 . 2]" 1
1587 1 138 GLU QG 1 139 ILE H 4.890 . 4.890 3.957 2.670 4.919 0.029 4 0 "[ . 1 . 2]" 1
1588 1 139 ILE H 1 139 ILE QG 3.800 . 3.800 2.611 1.802 3.602 . 0 0 "[ . 1 . 2]" 1
1589 1 139 ILE QG 1 140 LYS H 5.110 . 5.110 4.323 3.026 4.585 . 0 0 "[ . 1 . 2]" 1
1590 1 140 LYS H 1 140 LYS QB 3.700 . 3.700 2.725 2.125 3.444 . 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 136
_Distance_constraint_stats_list.Viol_count 353
_Distance_constraint_stats_list.Viol_total 278.925
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0172
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0395
_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 21 MET 0.708 0.185 16 0 "[ . 1 . 2]"
1 30 ALA 0.056 0.025 5 0 "[ . 1 . 2]"
1 31 ASP 0.073 0.050 9 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.091 0.035 12 0 "[ . 1 . 2]"
1 35 LYS 0.329 0.083 13 0 "[ . 1 . 2]"
1 36 THR 0.299 0.067 4 0 "[ . 1 . 2]"
1 37 TRP 0.249 0.046 16 0 "[ . 1 . 2]"
1 38 LEU 0.035 0.035 12 0 "[ . 1 . 2]"
1 39 SER 0.257 0.083 13 0 "[ . 1 . 2]"
1 40 LEU 0.548 0.067 4 0 "[ . 1 . 2]"
1 43 ALA 0.084 0.062 18 0 "[ . 1 . 2]"
1 44 HIS 0.018 0.018 7 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TRP 0.288 0.061 18 0 "[ . 1 . 2]"
1 55 HIS 0.300 0.063 14 0 "[ . 1 . 2]"
1 57 ASP 0.033 0.033 12 0 "[ . 1 . 2]"
1 58 THR 0.410 0.085 14 0 "[ . 1 . 2]"
1 59 LEU 0.300 0.063 14 0 "[ . 1 . 2]"
1 60 GLN 0.049 0.039 16 0 "[ . 1 . 2]"
1 61 MET 0.033 0.033 12 0 "[ . 1 . 2]"
1 62 ALA 2.113 0.113 8 0 "[ . 1 . 2]"
1 63 LEU 0.392 0.079 16 0 "[ . 1 . 2]"
1 64 GLN 1.134 0.090 16 0 "[ . 1 . 2]"
1 65 VAL 1.703 0.113 8 0 "[ . 1 . 2]"
1 66 VAL 0.392 0.079 16 0 "[ . 1 . 2]"
1 67 ASN 1.085 0.090 16 0 "[ . 1 . 2]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLN 0.171 0.060 1 0 "[ . 1 . 2]"
1 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.093 0.055 11 0 "[ . 1 . 2]"
1 74 SER 0.025 0.025 1 0 "[ . 1 . 2]"
1 75 ARG 0.603 0.113 12 0 "[ . 1 . 2]"
1 78 SER 0.603 0.113 12 0 "[ . 1 . 2]"
1 81 TRP 0.547 0.074 6 0 "[ . 1 . 2]"
1 82 LYS 0.025 0.025 1 0 "[ . 1 . 2]"
1 83 ALA 0.202 0.054 8 0 "[ . 1 . 2]"
1 84 TYR 0.093 0.055 11 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 SER 0.171 0.060 1 0 "[ . 1 . 2]"
1 87 ALA 0.114 0.046 3 0 "[ . 1 . 2]"
1 89 ASP 0.250 0.076 3 0 "[ . 1 . 2]"
1 90 ASP 0.708 0.185 16 0 "[ . 1 . 2]"
1 92 GLY 0.250 0.076 3 0 "[ . 1 . 2]"
1 94 LEU 0.010 0.010 16 0 "[ . 1 . 2]"
1 95 PHE 0.114 0.046 3 0 "[ . 1 . 2]"
1 96 LEU 0.075 0.048 17 0 "[ . 1 . 2]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLU 0.053 0.019 15 0 "[ . 1 . 2]"
1 99 LEU 0.202 0.054 8 0 "[ . 1 . 2]"
1 100 LEU 0.056 0.026 18 0 "[ . 1 . 2]"
1 101 LEU 0.547 0.074 6 0 "[ . 1 . 2]"
1 102 GLU 0.064 0.025 16 0 "[ . 1 . 2]"
1 105 ASN 0.463 0.135 14 0 "[ . 1 . 2]"
1 106 SER 0.288 0.061 18 0 "[ . 1 . 2]"
1 107 GLU 0.527 0.135 14 0 "[ . 1 . 2]"
1 108 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLN 0.056 0.026 18 0 "[ . 1 . 2]"
1 110 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 SER 0.053 0.019 15 0 "[ . 1 . 2]"
1 112 VAL 0.103 0.062 18 0 "[ . 1 . 2]"
1 113 LYS 0.075 0.048 17 0 "[ . 1 . 2]"
1 115 ASN 0.010 0.010 16 0 "[ . 1 . 2]"
1 118 ARG 1.952 0.151 6 0 "[ . 1 . 2]"
1 119 THR 0.323 0.101 11 0 "[ . 1 . 2]"
1 120 GLU 0.257 0.068 8 0 "[ . 1 . 2]"
1 121 THR 2.047 0.151 6 0 "[ . 1 . 2]"
1 122 LEU 0.003 0.003 4 0 "[ . 1 . 2]"
1 123 ASN 0.378 0.101 11 0 "[ . 1 . 2]"
1 124 SER 0.411 0.068 8 0 "[ . 1 . 2]"
1 125 PHE 0.187 0.044 14 0 "[ . 1 . 2]"
1 126 ILE 0.003 0.003 4 0 "[ . 1 . 2]"
1 127 SER 0.319 0.041 8 0 "[ . 1 . 2]"
1 128 VAL 0.180 0.040 2 0 "[ . 1 . 2]"
1 129 LEU 0.091 0.044 14 0 "[ . 1 . 2]"
1 130 GLU 0.085 0.063 16 0 "[ . 1 . 2]"
1 131 THR 0.348 0.047 2 0 "[ . 1 . 2]"
1 132 VAL 0.026 0.026 13 0 "[ . 1 . 2]"
1 133 ILE 0.595 0.129 11 0 "[ . 1 . 2]"
1 134 GLY 1.282 0.123 18 0 "[ . 1 . 2]"
1 135 THR 0.083 0.047 2 0 "[ . 1 . 2]"
1 136 ILE 0.595 0.129 11 0 "[ . 1 . 2]"
1 137 GLU 1.197 0.123 18 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 30 ALA O 1 34 GLU H 2.200 . 2.200 2.127 2.037 2.225 0.025 5 0 "[ . 1 . 2]" 2
2 1 30 ALA O 1 34 GLU N 3.300 2.700 3.300 3.046 2.913 3.149 . 0 0 "[ . 1 . 2]" 2
3 1 31 ASP O 1 35 LYS H 2.200 . 2.200 2.159 2.037 2.250 0.050 9 0 "[ . 1 . 2]" 2
4 1 31 ASP O 1 35 LYS N 3.300 2.700 3.300 3.081 2.970 3.211 . 0 0 "[ . 1 . 2]" 2
5 1 32 TYR O 1 36 THR H 2.200 . 2.200 2.028 1.955 2.183 . 0 0 "[ . 1 . 2]" 2
6 1 32 TYR O 1 36 THR N 3.300 2.700 3.300 2.975 2.894 3.141 . 0 0 "[ . 1 . 2]" 2
7 1 33 PHE O 1 37 TRP H 2.200 . 2.200 1.931 1.882 1.993 . 0 0 "[ . 1 . 2]" 2
8 1 33 PHE O 1 37 TRP N 3.300 2.700 3.300 2.813 2.756 2.883 . 0 0 "[ . 1 . 2]" 2
9 1 34 GLU O 1 38 LEU H 2.200 . 2.200 2.075 1.962 2.235 0.035 12 0 "[ . 1 . 2]" 2
10 1 34 GLU O 1 38 LEU N 3.300 2.700 3.300 3.022 2.908 3.199 . 0 0 "[ . 1 . 2]" 2
11 1 35 LYS O 1 39 SER H 2.200 . 2.200 2.172 2.023 2.283 0.083 13 0 "[ . 1 . 2]" 2
12 1 35 LYS O 1 39 SER N 3.300 2.700 3.300 2.957 2.801 3.064 . 0 0 "[ . 1 . 2]" 2
13 1 36 THR O 1 40 LEU H 2.400 . 2.400 2.392 2.239 2.467 0.067 4 0 "[ . 1 . 2]" 2
14 1 36 THR O 1 40 LEU N 3.300 2.700 3.300 2.979 2.873 3.070 . 0 0 "[ . 1 . 2]" 2
15 1 37 TRP O 1 40 LEU H 2.400 . 2.400 2.386 2.287 2.446 0.046 16 0 "[ . 1 . 2]" 2
16 1 37 TRP O 1 40 LEU N 3.300 2.700 3.300 3.253 3.160 3.312 0.012 15 0 "[ . 1 . 2]" 2
17 1 43 ALA H 1 112 VAL O 2.400 . 2.400 2.218 2.049 2.462 0.062 18 0 "[ . 1 . 2]" 2
18 1 43 ALA N 1 112 VAL O 3.300 2.700 3.300 3.020 2.830 3.219 . 0 0 "[ . 1 . 2]" 2
19 1 44 HIS H 1 112 VAL O 2.200 . 2.200 2.055 1.921 2.218 0.018 7 0 "[ . 1 . 2]" 2
20 1 44 HIS N 1 112 VAL O 3.300 2.700 3.300 3.022 2.874 3.164 . 0 0 "[ . 1 . 2]" 2
21 1 46 GLN H 1 110 ILE O 2.200 . 2.200 2.043 1.946 2.154 . 0 0 "[ . 1 . 2]" 2
22 1 46 GLN N 1 110 ILE O 3.300 2.700 3.300 2.978 2.886 3.064 . 0 0 "[ . 1 . 2]" 2
23 1 48 LEU H 1 108 MET O 2.200 . 2.200 1.973 1.925 2.031 . 0 0 "[ . 1 . 2]" 2
24 1 48 LEU N 1 108 MET O 3.300 2.700 3.300 2.910 2.829 2.962 . 0 0 "[ . 1 . 2]" 2
25 1 50 TRP H 1 106 SER O 2.200 . 2.200 2.160 1.964 2.261 0.061 18 0 "[ . 1 . 2]" 2
26 1 50 TRP N 1 106 SER O 3.300 2.700 3.300 2.883 2.768 3.049 . 0 0 "[ . 1 . 2]" 2
27 1 55 HIS O 1 59 LEU H 2.200 . 2.200 2.188 2.075 2.263 0.063 14 0 "[ . 1 . 2]" 2
28 1 55 HIS O 1 59 LEU N 3.300 2.700 3.300 3.090 3.003 3.207 . 0 0 "[ . 1 . 2]" 2
29 1 57 ASP O 1 61 MET H 2.200 . 2.200 2.082 1.982 2.233 0.033 12 0 "[ . 1 . 2]" 2
30 1 57 ASP O 1 61 MET N 3.300 2.700 3.300 3.037 2.931 3.206 . 0 0 "[ . 1 . 2]" 2
31 1 58 THR O 1 62 ALA H 2.200 . 2.200 2.208 2.118 2.285 0.085 14 0 "[ . 1 . 2]" 2
32 1 58 THR O 1 62 ALA N 3.300 2.700 3.300 3.100 2.990 3.186 . 0 0 "[ . 1 . 2]" 2
33 1 59 LEU O 1 63 LEU H 2.200 . 2.200 2.016 1.947 2.123 . 0 0 "[ . 1 . 2]" 2
34 1 59 LEU O 1 63 LEU N 3.300 2.700 3.300 2.929 2.851 3.041 . 0 0 "[ . 1 . 2]" 2
35 1 60 GLN O 1 64 GLN H 2.200 . 2.200 2.107 2.017 2.239 0.039 16 0 "[ . 1 . 2]" 2
36 1 60 GLN O 1 64 GLN N 3.300 2.700 3.300 3.054 2.942 3.199 . 0 0 "[ . 1 . 2]" 2
37 1 62 ALA O 1 65 VAL H 2.400 . 2.400 2.485 2.427 2.513 0.113 8 0 "[ . 1 . 2]" 2
38 1 62 ALA O 1 65 VAL N 3.300 2.700 3.300 3.109 3.062 3.175 . 0 0 "[ . 1 . 2]" 2
39 1 63 LEU O 1 66 VAL H 2.400 . 2.400 2.400 2.276 2.479 0.079 16 0 "[ . 1 . 2]" 2
40 1 63 LEU O 1 66 VAL N 3.300 2.700 3.300 3.126 3.020 3.180 . 0 0 "[ . 1 . 2]" 2
41 1 64 GLN O 1 67 ASN H 2.200 . 2.200 2.254 2.217 2.290 0.090 16 0 "[ . 1 . 2]" 2
42 1 64 GLN O 1 67 ASN N 3.300 2.700 3.300 3.162 3.087 3.211 . 0 0 "[ . 1 . 2]" 2
43 1 63 LEU O 1 68 ILE H 2.200 . 2.200 1.935 1.892 1.991 . 0 0 "[ . 1 . 2]" 2
44 1 63 LEU O 1 68 ILE N 3.300 2.700 3.300 2.868 2.808 2.908 . 0 0 "[ . 1 . 2]" 2
45 1 69 GLN H 1 86 SER O 2.200 . 2.200 2.120 1.932 2.260 0.060 1 0 "[ . 1 . 2]" 2
46 1 69 GLN N 1 86 SER O 3.300 2.700 3.300 2.866 2.710 3.029 . 0 0 "[ . 1 . 2]" 2
47 1 71 ILE H 1 84 TYR O 2.200 . 2.200 2.050 1.928 2.166 . 0 0 "[ . 1 . 2]" 2
48 1 71 ILE N 1 84 TYR O 3.300 2.700 3.300 2.851 2.759 2.999 . 0 0 "[ . 1 . 2]" 2
49 1 72 ALA H 1 84 TYR O 2.200 . 2.200 2.122 2.024 2.255 0.055 11 0 "[ . 1 . 2]" 2
50 1 72 ALA N 1 84 TYR O 3.300 2.700 3.300 3.087 2.992 3.199 . 0 0 "[ . 1 . 2]" 2
51 1 74 SER H 1 82 LYS O 2.200 . 2.200 2.016 1.922 2.225 0.025 1 0 "[ . 1 . 2]" 2
52 1 74 SER N 1 82 LYS O 3.300 2.700 3.300 2.869 2.779 2.967 . 0 0 "[ . 1 . 2]" 2
53 1 75 ARG O 1 78 SER H 2.200 . 2.200 2.220 2.128 2.313 0.113 12 0 "[ . 1 . 2]" 2
54 1 75 ARG O 1 78 SER N 3.300 2.700 3.300 3.121 3.003 3.240 . 0 0 "[ . 1 . 2]" 2
55 1 81 TRP H 1 101 LEU O 2.200 . 2.200 2.218 2.132 2.274 0.074 6 0 "[ . 1 . 2]" 2
56 1 81 TRP N 1 101 LEU O 3.300 2.700 3.300 2.989 2.895 3.139 . 0 0 "[ . 1 . 2]" 2
57 1 83 ALA H 1 99 LEU O 2.200 . 2.200 2.159 2.022 2.254 0.054 8 0 "[ . 1 . 2]" 2
58 1 83 ALA N 1 99 LEU O 3.300 2.700 3.300 2.938 2.776 3.109 . 0 0 "[ . 1 . 2]" 2
59 1 72 ALA O 1 84 TYR H 2.200 . 2.200 2.023 1.927 2.130 . 0 0 "[ . 1 . 2]" 2
60 1 72 ALA O 1 84 TYR N 3.300 2.700 3.300 2.910 2.827 2.974 . 0 0 "[ . 1 . 2]" 2
61 1 85 LEU H 1 97 THR O 2.200 . 2.200 1.965 1.895 2.017 . 0 0 "[ . 1 . 2]" 2
62 1 85 LEU N 1 97 THR O 3.300 2.700 3.300 2.921 2.857 2.979 . 0 0 "[ . 1 . 2]" 2
63 1 69 GLN O 1 86 SER H 2.200 . 2.200 1.973 1.897 2.147 . 0 0 "[ . 1 . 2]" 2
64 1 69 GLN O 1 86 SER N 3.300 2.700 3.300 2.917 2.815 3.062 . 0 0 "[ . 1 . 2]" 2
65 1 87 ALA H 1 95 PHE O 2.200 . 2.200 2.115 1.976 2.246 0.046 3 0 "[ . 1 . 2]" 2
66 1 87 ALA N 1 95 PHE O 3.300 2.700 3.300 3.043 2.888 3.183 . 0 0 "[ . 1 . 2]" 2
67 1 21 MET O 1 90 ASP H 2.200 . 2.200 2.186 2.047 2.385 0.185 16 0 "[ . 1 . 2]" 2
68 1 21 MET O 1 90 ASP N 3.300 2.700 3.300 2.920 2.738 3.080 . 0 0 "[ . 1 . 2]" 2
69 1 89 ASP O 1 92 GLY H 2.200 . 2.200 2.162 2.038 2.276 0.076 3 0 "[ . 1 . 2]" 2
70 1 89 ASP O 1 92 GLY N 3.300 2.700 3.300 3.044 2.922 3.182 . 0 0 "[ . 1 . 2]" 2
71 1 87 ALA O 1 95 PHE H 2.200 . 2.200 1.922 1.878 1.998 . 0 0 "[ . 1 . 2]" 2
72 1 87 ALA O 1 95 PHE N 3.300 2.700 3.300 2.873 2.829 2.959 . 0 0 "[ . 1 . 2]" 2
73 1 96 LEU H 1 113 LYS O 2.200 . 2.200 2.033 1.887 2.248 0.048 17 0 "[ . 1 . 2]" 2
74 1 96 LEU N 1 113 LYS O 3.300 2.700 3.300 2.911 2.814 3.051 . 0 0 "[ . 1 . 2]" 2
75 1 85 LEU O 1 97 THR H 2.200 . 2.200 1.919 1.864 1.974 . 0 0 "[ . 1 . 2]" 2
76 1 85 LEU O 1 97 THR N 3.300 2.700 3.300 2.863 2.798 2.920 . 0 0 "[ . 1 . 2]" 2
77 1 98 GLU H 1 111 SER O 2.200 . 2.200 2.099 1.994 2.219 0.019 15 0 "[ . 1 . 2]" 2
78 1 98 GLU N 1 111 SER O 3.300 2.700 3.300 2.981 2.845 3.089 . 0 0 "[ . 1 . 2]" 2
79 1 83 ALA O 1 99 LEU H 2.200 . 2.200 2.059 1.948 2.224 0.024 11 0 "[ . 1 . 2]" 2
80 1 83 ALA O 1 99 LEU N 3.300 2.700 3.300 2.989 2.912 3.104 . 0 0 "[ . 1 . 2]" 2
81 1 100 LEU H 1 109 GLN O 2.200 . 2.200 2.126 1.989 2.226 0.026 18 0 "[ . 1 . 2]" 2
82 1 100 LEU N 1 109 GLN O 3.300 2.700 3.300 2.978 2.898 3.097 . 0 0 "[ . 1 . 2]" 2
83 1 81 TRP O 1 101 LEU H 2.200 . 2.200 1.938 1.862 2.068 . 0 0 "[ . 1 . 2]" 2
84 1 81 TRP O 1 101 LEU N 3.300 2.700 3.300 2.847 2.754 2.979 . 0 0 "[ . 1 . 2]" 2
85 1 102 GLU H 1 107 GLU O 2.400 . 2.400 2.152 1.898 2.390 . 0 0 "[ . 1 . 2]" 2
86 1 102 GLU N 1 107 GLU O 3.300 2.700 3.300 3.104 2.820 3.325 0.025 16 0 "[ . 1 . 2]" 2
87 1 105 ASN O 1 107 GLU H 2.200 . 2.200 2.198 2.074 2.335 0.135 14 0 "[ . 1 . 2]" 2
88 1 105 ASN O 1 107 GLU N 3.300 2.700 3.300 2.982 2.799 3.103 . 0 0 "[ . 1 . 2]" 2
89 1 48 LEU O 1 108 MET H 2.200 . 2.200 1.969 1.891 2.122 . 0 0 "[ . 1 . 2]" 2
90 1 48 LEU O 1 108 MET N 3.300 2.700 3.300 2.908 2.823 3.030 . 0 0 "[ . 1 . 2]" 2
91 1 100 LEU O 1 109 GLN H 2.200 . 2.200 1.917 1.870 1.985 . 0 0 "[ . 1 . 2]" 2
92 1 100 LEU O 1 109 GLN N 3.300 2.700 3.300 2.833 2.796 2.886 . 0 0 "[ . 1 . 2]" 2
93 1 46 GLN O 1 110 ILE H 2.200 . 2.200 1.979 1.901 2.097 . 0 0 "[ . 1 . 2]" 2
94 1 46 GLN O 1 110 ILE N 3.300 2.700 3.300 2.891 2.774 3.007 . 0 0 "[ . 1 . 2]" 2
95 1 98 GLU O 1 111 SER H 2.200 . 2.200 2.040 1.941 2.170 . 0 0 "[ . 1 . 2]" 2
96 1 98 GLU O 1 111 SER N 3.300 2.700 3.300 2.981 2.894 3.099 . 0 0 "[ . 1 . 2]" 2
97 1 44 HIS O 1 112 VAL H 2.200 . 2.200 2.001 1.937 2.091 . 0 0 "[ . 1 . 2]" 2
98 1 44 HIS O 1 112 VAL N 3.300 2.700 3.300 2.881 2.811 3.027 . 0 0 "[ . 1 . 2]" 2
99 1 96 LEU O 1 113 LYS H 2.200 . 2.200 1.967 1.898 2.088 . 0 0 "[ . 1 . 2]" 2
100 1 96 LEU O 1 113 LYS N 3.300 2.700 3.300 2.905 2.842 3.044 . 0 0 "[ . 1 . 2]" 2
101 1 94 LEU O 1 115 ASN H 2.200 . 2.200 2.046 1.918 2.210 0.010 16 0 "[ . 1 . 2]" 2
102 1 94 LEU O 1 115 ASN N 3.300 2.700 3.300 2.941 2.810 3.092 . 0 0 "[ . 1 . 2]" 2
103 1 118 ARG H 1 121 THR OG1 2.500 . 2.500 2.548 2.387 2.651 0.151 6 0 "[ . 1 . 2]" 2
104 1 118 ARG N 1 121 THR OG1 3.300 2.700 3.300 3.328 3.225 3.390 0.090 6 0 "[ . 1 . 2]" 2
105 1 118 ARG O 1 122 LEU H 2.200 . 2.200 2.062 1.959 2.177 . 0 0 "[ . 1 . 2]" 2
106 1 118 ARG O 1 122 LEU N 3.300 2.700 3.300 3.010 2.891 3.126 . 0 0 "[ . 1 . 2]" 2
107 1 119 THR O 1 123 ASN H 2.200 . 2.200 2.181 2.083 2.301 0.101 11 0 "[ . 1 . 2]" 2
108 1 119 THR O 1 123 ASN N 3.300 2.700 3.300 3.129 3.053 3.223 . 0 0 "[ . 1 . 2]" 2
109 1 120 GLU O 1 124 SER H 2.200 . 2.200 2.150 1.956 2.268 0.068 8 0 "[ . 1 . 2]" 2
110 1 120 GLU O 1 124 SER N 3.300 2.700 3.300 3.083 2.889 3.209 . 0 0 "[ . 1 . 2]" 2
111 1 121 THR O 1 125 PHE H 2.200 . 2.200 2.133 2.015 2.236 0.036 19 0 "[ . 1 . 2]" 2
112 1 121 THR O 1 125 PHE N 3.300 2.700 3.300 2.988 2.854 3.109 . 0 0 "[ . 1 . 2]" 2
113 1 122 LEU O 1 126 ILE H 2.200 . 2.200 2.057 1.952 2.203 0.003 4 0 "[ . 1 . 2]" 2
114 1 122 LEU O 1 126 ILE N 3.300 2.700 3.300 3.005 2.879 3.160 . 0 0 "[ . 1 . 2]" 2
115 1 123 ASN O 1 127 SER H 2.200 . 2.200 2.154 2.040 2.228 0.028 7 0 "[ . 1 . 2]" 2
116 1 123 ASN O 1 127 SER N 3.300 2.700 3.300 3.050 2.928 3.168 . 0 0 "[ . 1 . 2]" 2
117 1 124 SER O 1 128 VAL H 2.200 . 2.200 2.153 2.013 2.240 0.040 2 0 "[ . 1 . 2]" 2
118 1 124 SER O 1 128 VAL N 3.300 2.700 3.300 3.037 2.838 3.147 . 0 0 "[ . 1 . 2]" 2
119 1 125 PHE O 1 129 LEU H 2.200 . 2.200 2.120 2.005 2.244 0.044 14 0 "[ . 1 . 2]" 2
120 1 125 PHE O 1 129 LEU N 3.300 2.700 3.300 3.091 2.979 3.222 . 0 0 "[ . 1 . 2]" 2
121 1 126 ILE O 1 130 GLU H 2.200 . 2.200 1.965 1.899 2.055 . 0 0 "[ . 1 . 2]" 2
122 1 126 ILE O 1 130 GLU N 3.300 2.700 3.300 2.860 2.762 2.934 . 0 0 "[ . 1 . 2]" 2
123 1 127 SER O 1 131 THR H 2.200 . 2.200 2.191 2.091 2.241 0.041 8 0 "[ . 1 . 2]" 2
124 1 127 SER O 1 131 THR N 3.300 2.700 3.300 3.085 2.955 3.162 . 0 0 "[ . 1 . 2]" 2
125 1 128 VAL O 1 132 VAL H 2.200 . 2.200 2.074 1.946 2.226 0.026 13 0 "[ . 1 . 2]" 2
126 1 128 VAL O 1 132 VAL N 3.300 2.700 3.300 2.989 2.877 3.159 . 0 0 "[ . 1 . 2]" 2
127 1 129 LEU O 1 133 ILE H 2.200 . 2.200 2.018 1.905 2.104 . 0 0 "[ . 1 . 2]" 2
128 1 129 LEU O 1 133 ILE N 3.300 2.700 3.300 2.976 2.851 3.073 . 0 0 "[ . 1 . 2]" 2
129 1 130 GLU O 1 134 GLY H 2.200 . 2.200 2.109 1.994 2.263 0.063 16 0 "[ . 1 . 2]" 2
130 1 130 GLU O 1 134 GLY N 3.300 2.700 3.300 2.942 2.790 3.046 . 0 0 "[ . 1 . 2]" 2
131 1 131 THR O 1 135 THR H 2.200 . 2.200 2.104 1.989 2.247 0.047 2 0 "[ . 1 . 2]" 2
132 1 131 THR O 1 135 THR N 3.300 2.700 3.300 2.995 2.815 3.190 . 0 0 "[ . 1 . 2]" 2
133 1 133 ILE O 1 136 ILE H 2.400 . 2.400 2.395 2.250 2.529 0.129 11 0 "[ . 1 . 2]" 2
134 1 133 ILE O 1 136 ILE N 3.300 2.700 3.300 3.171 3.044 3.306 0.006 8 0 "[ . 1 . 2]" 2
135 1 134 GLY O 1 137 GLU H 2.400 . 2.400 2.458 2.411 2.523 0.123 18 0 "[ . 1 . 2]" 2
136 1 134 GLY O 1 137 GLU N 3.300 2.700 3.300 3.130 3.038 3.333 0.033 16 0 "[ . 1 . 2]" 2
stop_
save_