NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
543945 |
2lus   |
18539 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lus
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 1383
_Distance_constraint_stats_list.Viol_count 2849
_Distance_constraint_stats_list.Viol_total 3182.846
_Distance_constraint_stats_list.Viol_max 0.421
_Distance_constraint_stats_list.Viol_rms 0.0243
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0559
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PHE 0.275 0.107 10 0 "[ . 1 . 2]"
1 4 ILE 1.211 0.107 10 0 "[ . 1 . 2]"
1 5 GLN 1.480 0.165 10 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 4.124 0.189 5 0 "[ . 1 . 2]"
1 8 LYS 0.736 0.051 13 0 "[ . 1 . 2]"
1 9 LEU 0.475 0.118 12 0 "[ . 1 . 2]"
1 10 VAL 2.794 0.098 16 0 "[ . 1 . 2]"
1 11 LYS 1.839 0.183 5 0 "[ . 1 . 2]"
1 12 LYS 0.776 0.172 5 0 "[ . 1 . 2]"
1 13 ASN 0.183 0.037 7 0 "[ . 1 . 2]"
1 14 ARG 0.078 0.010 9 0 "[ . 1 . 2]"
1 15 CYS 0.891 0.055 16 0 "[ . 1 . 2]"
1 16 GLU 1.008 0.053 10 0 "[ . 1 . 2]"
1 17 VAL 1.799 0.292 16 0 "[ . 1 . 2]"
1 18 ASN 1.111 0.292 16 0 "[ . 1 . 2]"
1 19 ALA 0.019 0.008 20 0 "[ . 1 . 2]"
1 20 ASN 1.182 0.096 11 0 "[ . 1 . 2]"
1 21 GLU 2.073 0.112 8 0 "[ . 1 . 2]"
1 22 ALA 2.633 0.187 17 0 "[ . 1 . 2]"
1 23 LEU 0.448 0.054 6 0 "[ . 1 . 2]"
1 24 LYS 0.167 0.037 17 0 "[ . 1 . 2]"
1 25 ASP 2.023 0.091 18 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 5.820 0.170 11 0 "[ . 1 . 2]"
1 29 ILE 0.415 0.096 7 0 "[ . 1 . 2]"
1 30 GLY 0.616 0.096 7 0 "[ . 1 . 2]"
1 31 PHE 0.244 0.036 16 0 "[ . 1 . 2]"
1 32 TYR 0.181 0.024 7 0 "[ . 1 . 2]"
1 33 PHE 1.135 0.074 2 0 "[ . 1 . 2]"
1 34 SER 0.172 0.058 15 0 "[ . 1 . 2]"
1 35 ALA 0.723 0.066 17 0 "[ . 1 . 2]"
1 36 HIS 0.321 0.054 15 0 "[ . 1 . 2]"
1 37 TRP 4.990 0.113 12 0 "[ . 1 . 2]"
1 38 CYS 0.302 0.023 3 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.051 0.030 14 0 "[ . 1 . 2]"
1 45 THR 1.331 0.133 10 0 "[ . 1 . 2]"
1 46 PRO 1.101 0.083 17 0 "[ . 1 . 2]"
1 47 ILE 3.972 0.176 10 0 "[ . 1 . 2]"
1 48 LEU 0.708 0.094 13 0 "[ . 1 . 2]"
1 49 ALA 3.661 0.105 1 0 "[ . 1 . 2]"
1 50 ASP 0.811 0.053 16 0 "[ . 1 . 2]"
1 51 MET 3.371 0.188 15 0 "[ . 1 . 2]"
1 52 TYR 6.545 0.205 6 0 "[ . 1 . 2]"
1 53 SER 5.722 0.205 6 0 "[ . 1 . 2]"
1 54 GLU 3.050 0.077 15 0 "[ . 1 . 2]"
1 55 LEU 3.112 0.063 6 0 "[ . 1 . 2]"
1 56 VAL 3.962 0.085 9 0 "[ . 1 . 2]"
1 57 ASP 1.181 0.042 13 0 "[ . 1 . 2]"
1 58 ASP 2.913 0.129 20 0 "[ . 1 . 2]"
1 59 SER 5.298 0.129 20 0 "[ . 1 . 2]"
1 60 ALA 1.324 0.093 6 0 "[ . 1 . 2]"
1 61 PRO 0.892 0.054 19 0 "[ . 1 . 2]"
1 62 PHE 0.252 0.035 16 0 "[ . 1 . 2]"
1 63 GLU 1.396 0.114 17 0 "[ . 1 . 2]"
1 64 ILE 0.343 0.034 20 0 "[ . 1 . 2]"
1 65 ILE 0.653 0.032 10 0 "[ . 1 . 2]"
1 66 PHE 0.896 0.084 7 0 "[ . 1 . 2]"
1 67 VAL 1.688 0.297 7 0 "[ . 1 . 2]"
1 68 SER 1.456 0.297 7 0 "[ . 1 . 2]"
1 69 SER 0.009 0.003 20 0 "[ . 1 . 2]"
1 70 ASP 0.149 0.027 5 0 "[ . 1 . 2]"
1 71 ARG 1.038 0.077 4 0 "[ . 1 . 2]"
1 72 SER 3.563 0.106 12 0 "[ . 1 . 2]"
1 73 GLU 0.879 0.060 13 0 "[ . 1 . 2]"
1 74 ASP 2.421 0.110 14 0 "[ . 1 . 2]"
1 75 ASP 1.704 0.106 12 0 "[ . 1 . 2]"
1 76 MET 0.879 0.060 13 0 "[ . 1 . 2]"
1 77 PHE 2.162 0.110 14 0 "[ . 1 . 2]"
1 78 GLN 1.856 0.062 13 0 "[ . 1 . 2]"
1 79 TYR 1.243 0.062 13 0 "[ . 1 . 2]"
1 80 MET 0.448 0.038 17 0 "[ . 1 . 2]"
1 81 MET 0.478 0.038 18 0 "[ . 1 . 2]"
1 82 GLU 0.870 0.246 4 0 "[ . 1 . 2]"
1 83 SER 2.889 0.246 4 0 "[ . 1 . 2]"
1 84 HIS 3.087 0.186 12 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 2.926 0.109 19 0 "[ . 1 . 2]"
1 87 TRP 5.666 0.114 17 0 "[ . 1 . 2]"
1 88 LEU 7.123 0.421 7 0 "[ . 1 . 2]"
1 89 ALA 0.896 0.084 7 0 "[ . 1 . 2]"
1 90 ILE 6.101 0.170 16 0 "[ . 1 . 2]"
1 91 PRO 3.487 0.128 2 0 "[ . 1 . 2]"
1 92 TYR 4.344 0.179 20 0 "[ . 1 . 2]"
1 93 ARG 3.492 0.105 9 0 "[ . 1 . 2]"
1 94 SER 2.849 0.105 9 0 "[ . 1 . 2]"
1 96 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.697 0.049 4 0 "[ . 1 . 2]"
1 98 SER 1.872 0.060 10 0 "[ . 1 . 2]"
1 99 ASN 1.186 0.060 10 0 "[ . 1 . 2]"
1 100 VAL 0.103 0.016 7 0 "[ . 1 . 2]"
1 101 THR 1.048 0.050 5 0 "[ . 1 . 2]"
1 102 ALA 0.248 0.015 13 0 "[ . 1 . 2]"
1 103 LYS 0.092 0.016 7 0 "[ . 1 . 2]"
1 104 TYR 0.827 0.050 5 0 "[ . 1 . 2]"
1 105 GLY 0.022 0.008 6 0 "[ . 1 . 2]"
1 106 ILE 4.318 0.159 11 0 "[ . 1 . 2]"
1 107 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ILE 7.993 0.241 12 0 "[ . 1 . 2]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ALA 0.411 0.058 5 0 "[ . 1 . 2]"
1 112 LEU 2.729 0.120 15 0 "[ . 1 . 2]"
1 113 VAL 4.901 0.199 15 0 "[ . 1 . 2]"
1 114 ILE 4.742 0.206 14 0 "[ . 1 . 2]"
1 115 VAL 0.415 0.054 17 0 "[ . 1 . 2]"
1 116 LYS 0.594 0.124 6 0 "[ . 1 . 2]"
1 117 LYS 0.018 0.018 17 0 "[ . 1 . 2]"
1 118 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 GLY 0.303 0.025 9 0 "[ . 1 . 2]"
1 120 THR 0.688 0.124 6 0 "[ . 1 . 2]"
1 121 LEU 4.297 0.227 11 0 "[ . 1 . 2]"
1 122 ILE 13.455 0.327 14 0 "[ . 1 . 2]"
1 123 SER 8.533 0.327 14 0 "[ . 1 . 2]"
1 124 MET 5.208 0.394 12 0 "[ . 1 . 2]"
1 125 ASN 3.220 0.394 12 0 "[ . 1 . 2]"
1 126 GLY 0.643 0.184 9 0 "[ . 1 . 2]"
1 127 ARG 6.206 0.175 5 0 "[ . 1 . 2]"
1 128 GLY 2.054 0.124 17 0 "[ . 1 . 2]"
1 129 GLU 2.169 0.078 15 0 "[ . 1 . 2]"
1 130 VAL 7.449 0.209 12 0 "[ . 1 . 2]"
1 131 GLN 2.536 0.209 12 0 "[ . 1 . 2]"
1 132 SER 1.174 0.078 15 0 "[ . 1 . 2]"
1 133 LEU 1.349 0.168 5 0 "[ . 1 . 2]"
1 134 GLY 0.652 0.053 10 0 "[ . 1 . 2]"
1 135 PRO 0.029 0.018 13 0 "[ . 1 . 2]"
1 136 ARG 0.233 0.062 13 0 "[ . 1 . 2]"
1 137 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 PHE 0.009 0.006 2 0 "[ . 1 . 2]"
1 139 GLN 2.334 0.164 11 0 "[ . 1 . 2]"
1 140 ASN 2.683 0.168 5 0 "[ . 1 . 2]"
1 141 TRP 2.430 0.184 9 0 "[ . 1 . 2]"
1 142 ALA 5.790 0.243 10 0 "[ . 1 . 2]"
1 143 ARG 4.723 0.243 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ILE HA 1 4 ILE MD 3.500 . 5.000 4.115 4.100 4.127 . 0 0 "[ . 1 . 2]" 1
2 1 4 ILE HA 1 4 ILE MG 2.700 . 4.200 2.122 2.095 2.177 . 0 0 "[ . 1 . 2]" 1
3 1 4 ILE HA 1 7 ILE MD 2.700 . 4.200 2.723 2.338 3.398 . 0 0 "[ . 1 . 2]" 1
4 1 4 ILE HA 1 7 ILE HG12 5.000 . 5.000 3.523 2.171 3.853 . 0 0 "[ . 1 . 2]" 1
5 1 4 ILE HA 1 7 ILE MG 2.700 . 4.200 3.005 2.579 3.333 . 0 0 "[ . 1 . 2]" 1
6 1 4 ILE HB 1 4 ILE MD 2.700 . 4.200 2.199 2.100 2.289 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE MD 1 19 ALA MB 2.700 . 5.700 3.561 2.815 3.782 . 0 0 "[ . 1 . 2]" 1
8 1 4 ILE HG12 1 4 ILE MG 2.700 . 4.200 2.216 2.110 2.321 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE MG 1 97 ALA MB 2.700 . 5.700 3.907 3.863 3.941 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLN HA 1 5 GLN QG 2.700 . 3.700 2.738 2.107 3.304 . 0 0 "[ . 1 . 2]" 1
11 1 7 ILE HA 1 7 ILE MD 3.500 . 5.000 4.099 3.941 4.127 . 0 0 "[ . 1 . 2]" 1
12 1 7 ILE HA 1 7 ILE MG 2.700 . 4.200 2.302 2.176 2.420 . 0 0 "[ . 1 . 2]" 1
13 1 7 ILE HB 1 7 ILE MD 2.700 . 4.200 2.303 2.072 2.388 . 0 0 "[ . 1 . 2]" 1
14 1 7 ILE MD 1 7 ILE MG 2.700 . 5.700 1.934 1.667 2.620 0.133 10 0 "[ . 1 . 2]" 1
15 1 7 ILE MD 1 96 PRO QB 5.000 . 7.500 2.225 1.953 3.024 . 0 0 "[ . 1 . 2]" 1
16 1 7 ILE MD 1 97 ALA MB 3.500 . 6.500 4.106 3.950 4.387 . 0 0 "[ . 1 . 2]" 1
17 1 7 ILE MG 1 8 LYS QD 2.700 . 5.200 3.827 3.680 3.898 . 0 0 "[ . 1 . 2]" 1
18 1 8 LYS HA 1 18 ASN HA 3.500 . 3.500 2.301 2.133 2.673 . 0 0 "[ . 1 . 2]" 1
19 1 8 LYS HA 1 8 LYS QG 3.500 . 4.500 2.936 2.312 3.465 . 0 0 "[ . 1 . 2]" 1
20 1 8 LYS QD 1 18 ASN HA 5.000 . 6.000 4.840 3.452 5.401 . 0 0 "[ . 1 . 2]" 1
21 1 8 LYS QG 1 18 ASN HA 5.000 . 6.000 4.354 2.173 5.331 . 0 0 "[ . 1 . 2]" 1
22 1 9 LEU HA 1 10 VAL QG 5.000 . 7.400 3.635 3.377 3.862 . 0 0 "[ . 1 . 2]" 1
23 1 9 LEU HA 1 9 LEU QD 2.700 . 4.400 2.121 2.002 2.290 . 0 0 "[ . 1 . 2]" 1
24 1 9 LEU QB 1 10 VAL HA 5.000 . 6.000 4.102 4.046 4.171 . 0 0 "[ . 1 . 2]" 1
25 1 9 LEU QB 1 9 LEU QD 2.700 . 6.100 1.882 1.829 1.912 . 0 0 "[ . 1 . 2]" 1
26 1 9 LEU QD 1 19 ALA HA 3.500 . 5.900 2.562 2.057 2.881 . 0 0 "[ . 1 . 2]" 1
27 1 9 LEU QD 1 22 ALA MB 3.500 . 7.400 2.659 2.081 3.225 . 0 0 "[ . 1 . 2]" 1
28 1 9 LEU QD 1 23 LEU QB 3.500 . 6.900 4.182 3.402 4.468 . 0 0 "[ . 1 . 2]" 1
29 1 9 LEU QD 1 23 LEU QD 2.700 . 7.500 2.153 1.782 2.650 0.018 7 0 "[ . 1 . 2]" 1
30 1 9 LEU QD 1 88 LEU QB 2.700 . 6.100 1.912 1.682 2.383 0.118 12 0 "[ . 1 . 2]" 1
31 1 9 LEU QD 1 90 ILE HA 3.500 . 5.900 2.044 2.014 2.083 . 0 0 "[ . 1 . 2]" 1
32 1 9 LEU QD 1 91 PRO HA 5.000 . 7.400 5.300 4.803 5.408 . 0 0 "[ . 1 . 2]" 1
33 1 10 VAL HA 1 10 VAL QG 2.700 . 4.400 2.084 2.051 2.119 . 0 0 "[ . 1 . 2]" 1
34 1 10 VAL HA 1 16 GLU HA 2.700 . 2.700 2.243 2.157 2.443 . 0 0 "[ . 1 . 2]" 1
35 1 10 VAL QG 1 16 GLU HA 2.700 . 5.100 2.989 2.790 3.161 . 0 0 "[ . 1 . 2]" 1
36 1 10 VAL QG 1 16 GLU QG 3.500 . 6.900 3.409 1.795 4.521 0.005 11 0 "[ . 1 . 2]" 1
37 1 10 VAL QG 1 76 MET ME 2.700 . 6.600 3.900 3.745 3.989 . 0 0 "[ . 1 . 2]" 1
38 1 10 VAL QG 1 77 PHE QE 3.500 . 7.900 2.506 1.988 2.836 . 0 0 "[ . 1 . 2]" 1
39 1 10 VAL QG 1 77 PHE HZ 2.700 . 5.100 3.006 2.407 3.547 . 0 0 "[ . 1 . 2]" 1
40 1 10 VAL QG 1 89 ALA MB 2.700 . 6.600 3.502 3.323 3.729 . 0 0 "[ . 1 . 2]" 1
41 1 10 VAL QG 1 91 PRO HA 3.500 . 5.900 3.871 3.703 4.184 . 0 0 "[ . 1 . 2]" 1
42 1 10 VAL QG 1 91 PRO QG 5.000 . 8.400 2.142 1.924 3.026 . 0 0 "[ . 1 . 2]" 1
43 1 11 LYS HA 1 11 LYS QG 3.500 . 4.500 2.765 2.272 3.222 . 0 0 "[ . 1 . 2]" 1
44 1 11 LYS HA 1 17 VAL QG 5.000 . 7.400 4.064 3.606 4.505 . 0 0 "[ . 1 . 2]" 1
45 1 11 LYS HA 1 80 MET ME 3.500 . 5.000 3.632 3.185 4.229 . 0 0 "[ . 1 . 2]" 1
46 1 11 LYS HA 1 88 LEU QD 3.500 . 5.900 3.142 2.321 4.139 . 0 0 "[ . 1 . 2]" 1
47 1 11 LYS QB 1 15 CYS QB 5.000 . 7.000 2.445 2.055 3.665 . 0 0 "[ . 1 . 2]" 1
48 1 11 LYS QD 1 15 CYS QB 5.000 . 7.000 2.068 1.840 2.612 . 0 0 "[ . 1 . 2]" 1
49 1 11 LYS QD 1 16 GLU QG 5.000 . 7.000 5.291 4.819 5.633 . 0 0 "[ . 1 . 2]" 1
50 1 11 LYS QD 1 17 VAL QG 3.500 . 6.900 2.040 1.798 3.506 0.002 7 0 "[ . 1 . 2]" 1
51 1 11 LYS QE 1 17 VAL QG 2.700 . 6.100 2.191 1.830 3.373 . 0 0 "[ . 1 . 2]" 1
52 1 11 LYS QE 1 88 LEU QD 2.700 . 6.100 2.578 1.957 3.315 . 0 0 "[ . 1 . 2]" 1
53 1 11 LYS QG 1 15 CYS QB 5.000 . 7.000 2.312 2.080 3.161 . 0 0 "[ . 1 . 2]" 1
54 1 11 LYS QG 1 16 GLU QG 5.000 . 7.000 4.727 4.186 5.207 . 0 0 "[ . 1 . 2]" 1
55 1 11 LYS QG 1 88 LEU QD 3.500 . 6.900 2.524 1.921 3.803 . 0 0 "[ . 1 . 2]" 1
56 1 12 LYS HA 1 77 PHE QD 5.000 . 7.000 2.822 2.191 3.635 . 0 0 "[ . 1 . 2]" 1
57 1 12 LYS HA 1 80 MET ME 2.700 . 4.200 2.961 2.200 3.375 . 0 0 "[ . 1 . 2]" 1
58 1 12 LYS QD 1 81 MET HA 5.000 . 6.000 3.389 2.562 5.401 . 0 0 "[ . 1 . 2]" 1
59 1 12 LYS QE 1 81 MET HA 5.000 . 6.000 4.138 2.284 5.168 . 0 0 "[ . 1 . 2]" 1
60 1 12 LYS QE 1 86 ASP HA 2.700 . 3.700 2.866 1.962 3.391 . 0 0 "[ . 1 . 2]" 1
61 1 16 GLU HA 1 16 GLU QG 3.500 . 4.500 2.857 2.169 3.318 . 0 0 "[ . 1 . 2]" 1
62 1 16 GLU HA 1 17 VAL QG 5.000 . 7.400 2.996 2.857 3.348 . 0 0 "[ . 1 . 2]" 1
63 1 17 VAL HA 1 17 VAL HB 2.700 . 2.700 2.651 2.379 2.789 0.089 2 0 "[ . 1 . 2]" 1
64 1 17 VAL HA 1 17 VAL QG 2.700 . 4.400 2.132 2.053 2.354 . 0 0 "[ . 1 . 2]" 1
65 1 17 VAL HB 1 22 ALA MB 3.500 . 5.000 2.530 1.947 3.923 . 0 0 "[ . 1 . 2]" 1
66 1 17 VAL QG 1 19 ALA HA 5.000 . 7.400 4.240 3.440 4.685 . 0 0 "[ . 1 . 2]" 1
67 1 17 VAL QG 1 22 ALA HA 5.000 . 7.400 3.643 3.099 3.943 . 0 0 "[ . 1 . 2]" 1
68 1 17 VAL QG 1 22 ALA MB 2.700 . 6.600 2.161 1.772 2.518 0.028 16 0 "[ . 1 . 2]" 1
69 1 18 ASN QB 1 21 GLU QB 3.500 . 5.500 4.032 3.637 4.443 . 0 0 "[ . 1 . 2]" 1
70 1 18 ASN QB 1 21 GLU QG 5.000 . 7.000 3.247 2.551 3.709 . 0 0 "[ . 1 . 2]" 1
71 1 19 ALA HA 1 22 ALA MB 2.700 . 4.200 2.104 1.971 2.328 . 0 0 "[ . 1 . 2]" 1
72 1 19 ALA HA 1 23 LEU QD 5.000 . 7.400 2.882 2.206 3.595 . 0 0 "[ . 1 . 2]" 1
73 1 19 ALA MB 1 90 ILE MD 2.700 . 5.700 3.722 3.652 3.772 . 0 0 "[ . 1 . 2]" 1
74 1 19 ALA MB 1 90 ILE MG 2.700 . 5.700 3.761 3.663 3.798 . 0 0 "[ . 1 . 2]" 1
75 1 20 ASN QB 1 21 GLU QB 3.500 . 5.500 3.805 3.265 4.126 . 0 0 "[ . 1 . 2]" 1
76 1 20 ASN QB 1 21 GLU QG 3.500 . 5.500 2.751 2.226 4.103 . 0 0 "[ . 1 . 2]" 1
77 1 21 GLU HA 1 21 GLU QG 2.700 . 3.700 2.793 2.300 3.306 . 0 0 "[ . 1 . 2]" 1
78 1 21 GLU HA 1 24 LYS QB 5.000 . 6.000 5.255 5.195 5.342 . 0 0 "[ . 1 . 2]" 1
79 1 22 ALA MB 1 23 LEU QD 2.700 . 6.600 3.240 2.522 3.852 . 0 0 "[ . 1 . 2]" 1
80 1 22 ALA MB 1 88 LEU QD 2.700 . 6.600 1.784 1.613 2.414 0.187 17 0 "[ . 1 . 2]" 1
81 1 23 LEU HA 1 23 LEU QD 2.700 . 4.400 2.112 1.865 2.480 . 0 0 "[ . 1 . 2]" 1
82 1 23 LEU QB 1 23 LEU QD 2.700 . 6.100 1.911 1.858 2.027 . 0 0 "[ . 1 . 2]" 1
83 1 23 LEU QD 1 29 ILE MG 2.700 . 6.600 3.319 2.112 3.871 . 0 0 "[ . 1 . 2]" 1
84 1 23 LEU QD 1 88 LEU QD 2.700 . 7.500 2.770 2.028 3.493 . 0 0 "[ . 1 . 2]" 1
85 1 25 ASP HA 1 61 PRO HA 5.000 . 5.000 5.032 5.007 5.054 0.054 19 0 "[ . 1 . 2]" 1
86 1 28 ILE HA 1 116 LYS HA 5.000 . 5.000 2.249 2.101 2.417 . 0 0 "[ . 1 . 2]" 1
87 1 28 ILE HA 1 28 ILE MD 3.500 . 5.000 3.200 3.149 3.291 . 0 0 "[ . 1 . 2]" 1
88 1 28 ILE HA 1 28 ILE MG 2.700 . 4.200 2.465 2.446 2.482 . 0 0 "[ . 1 . 2]" 1
89 1 28 ILE HB 1 28 ILE MD 2.700 . 4.200 2.815 2.762 2.846 . 0 0 "[ . 1 . 2]" 1
90 1 28 ILE HB 1 62 PHE QD 5.000 . 7.000 3.939 3.763 4.085 . 0 0 "[ . 1 . 2]" 1
91 1 28 ILE MD 1 116 LYS HA 3.500 . 5.000 3.163 2.746 3.918 . 0 0 "[ . 1 . 2]" 1
92 1 28 ILE MD 1 116 LYS QD 5.000 . 7.500 3.946 2.207 4.569 . 0 0 "[ . 1 . 2]" 1
93 1 28 ILE MD 1 138 PHE QE 3.500 . 7.000 3.591 2.678 4.482 . 0 0 "[ . 1 . 2]" 1
94 1 28 ILE MD 1 141 TRP QB 3.500 . 6.000 3.599 3.038 3.928 . 0 0 "[ . 1 . 2]" 1
95 1 28 ILE MD 1 142 ALA HA 2.700 . 4.200 2.087 1.938 2.343 . 0 0 "[ . 1 . 2]" 1
96 1 28 ILE MD 1 28 ILE MG 2.700 . 5.700 1.647 1.630 1.663 0.170 11 0 "[ . 1 . 2]" 1
97 1 28 ILE MG 1 114 ILE MG 2.700 . 5.700 2.574 2.334 2.721 . 0 0 "[ . 1 . 2]" 1
98 1 28 ILE MG 1 116 LYS QE 5.000 . 7.500 4.699 4.194 5.270 . 0 0 "[ . 1 . 2]" 1
99 1 28 ILE MG 1 116 LYS QG 2.700 . 5.200 3.474 3.334 3.639 . 0 0 "[ . 1 . 2]" 1
100 1 28 ILE MG 1 62 PHE QD 2.700 . 6.200 2.638 2.389 3.243 . 0 0 "[ . 1 . 2]" 1
101 1 28 ILE MG 1 62 PHE QE 2.700 . 6.200 4.469 4.320 4.743 . 0 0 "[ . 1 . 2]" 1
102 1 29 ILE HA 1 29 ILE MD 2.700 . 4.200 3.278 2.125 3.632 . 0 0 "[ . 1 . 2]" 1
103 1 29 ILE HA 1 29 ILE MG 2.700 . 4.200 2.621 2.166 2.818 . 0 0 "[ . 1 . 2]" 1
104 1 29 ILE HB 1 29 ILE MD 2.700 . 4.200 2.178 2.065 3.181 . 0 0 "[ . 1 . 2]" 1
105 1 29 ILE MD 1 117 LYS HA 2.700 . 4.200 2.084 1.888 2.371 . 0 0 "[ . 1 . 2]" 1
106 1 29 ILE MD 1 117 LYS QB 2.700 . 5.200 3.032 2.481 3.510 . 0 0 "[ . 1 . 2]" 1
107 1 29 ILE MD 1 117 LYS QD 3.500 . 6.000 3.782 2.017 4.498 . 0 0 "[ . 1 . 2]" 1
108 1 29 ILE MD 1 117 LYS QG 2.700 . 5.200 3.117 1.991 3.985 . 0 0 "[ . 1 . 2]" 1
109 1 29 ILE MD 1 29 ILE MG 2.700 . 5.700 2.722 1.833 3.134 . 0 0 "[ . 1 . 2]" 1
110 1 29 ILE MD 1 63 GLU QB 2.700 . 5.200 3.630 3.030 3.856 . 0 0 "[ . 1 . 2]" 1
111 1 29 ILE HG13 1 29 ILE MG 2.700 . 4.200 2.874 2.414 3.140 . 0 0 "[ . 1 . 2]" 1
112 1 29 ILE HG12 1 29 ILE MG 2.700 . 4.200 2.187 2.065 3.191 . 0 0 "[ . 1 . 2]" 1
113 1 29 ILE MG 1 115 VAL QG 2.700 . 6.600 2.365 2.073 3.310 . 0 0 "[ . 1 . 2]" 1
114 1 30 GLY QA 1 112 LEU QD 5.000 . 8.400 2.923 2.600 3.305 . 0 0 "[ . 1 . 2]" 1
115 1 30 GLY QA 1 114 ILE HA 5.000 . 6.000 2.288 2.123 2.581 . 0 0 "[ . 1 . 2]" 1
116 1 30 GLY QA 1 114 ILE MD 3.500 . 6.000 1.968 1.805 2.099 . 0 0 "[ . 1 . 2]" 1
117 1 30 GLY QA 1 64 ILE MD 3.500 . 6.000 3.100 2.255 4.127 . 0 0 "[ . 1 . 2]" 1
118 1 31 PHE HA 1 65 ILE HB 3.500 . 3.500 2.114 2.056 2.299 . 0 0 "[ . 1 . 2]" 1
119 1 31 PHE QD 1 100 VAL QG 3.500 . 7.900 3.283 2.871 3.554 . 0 0 "[ . 1 . 2]" 1
120 1 31 PHE QD 1 112 LEU QD 5.000 . 9.400 4.852 4.449 5.144 . 0 0 "[ . 1 . 2]" 1
121 1 31 PHE QD 1 115 VAL QG 3.500 . 7.900 2.465 2.215 2.697 . 0 0 "[ . 1 . 2]" 1
122 1 31 PHE QD 1 65 ILE HB 5.000 . 7.000 2.589 2.393 2.792 . 0 0 "[ . 1 . 2]" 1
123 1 31 PHE QD 1 65 ILE MG 3.500 . 7.000 2.672 2.362 2.894 . 0 0 "[ . 1 . 2]" 1
124 1 31 PHE QD 1 67 VAL QG 2.700 . 7.100 2.514 2.202 2.790 . 0 0 "[ . 1 . 2]" 1
125 1 31 PHE QE 1 100 VAL QG 3.500 . 7.900 2.885 2.706 3.096 . 0 0 "[ . 1 . 2]" 1
126 1 31 PHE QE 1 115 VAL QG 5.000 . 9.400 2.032 1.914 2.265 . 0 0 "[ . 1 . 2]" 1
127 1 31 PHE HZ 1 100 VAL QG 2.700 . 5.100 3.750 3.503 3.821 . 0 0 "[ . 1 . 2]" 1
128 1 31 PHE HZ 1 115 VAL QG 2.700 . 5.100 3.638 3.528 3.724 . 0 0 "[ . 1 . 2]" 1
129 1 31 PHE HZ 1 65 ILE MD 3.500 . 5.000 3.269 2.410 3.926 . 0 0 "[ . 1 . 2]" 1
130 1 31 PHE HZ 1 65 ILE MG 3.500 . 5.000 3.793 3.409 4.004 . 0 0 "[ . 1 . 2]" 1
131 1 32 TYR HA 1 112 LEU HA 5.000 . 5.000 2.770 2.568 2.989 . 0 0 "[ . 1 . 2]" 1
132 1 32 TYR HA 1 112 LEU QD 3.500 . 5.900 3.313 2.388 3.611 . 0 0 "[ . 1 . 2]" 1
133 1 32 TYR QB 1 112 LEU QD 3.500 . 6.900 3.308 2.659 3.770 . 0 0 "[ . 1 . 2]" 1
134 1 32 TYR QB 1 64 ILE MG 3.500 . 6.000 3.249 3.009 3.458 . 0 0 "[ . 1 . 2]" 1
135 1 33 PHE HA 1 67 VAL HB 5.000 . 5.000 3.325 2.825 3.674 . 0 0 "[ . 1 . 2]" 1
136 1 33 PHE HA 1 67 VAL QG 5.000 . 7.400 3.809 3.493 4.104 . 0 0 "[ . 1 . 2]" 1
137 1 33 PHE QB 1 106 ILE MG 5.000 . 7.500 3.195 2.960 3.525 . 0 0 "[ . 1 . 2]" 1
138 1 33 PHE QB 1 109 ILE MG 3.500 . 6.000 1.885 1.824 2.115 . 0 0 "[ . 1 . 2]" 1
139 1 33 PHE QB 1 111 ALA MB 3.500 . 6.000 3.188 2.782 3.385 . 0 0 "[ . 1 . 2]" 1
140 1 33 PHE QD 1 106 ILE MG 3.500 . 7.000 2.519 2.120 3.399 . 0 0 "[ . 1 . 2]" 1
141 1 33 PHE QD 1 109 ILE MG 3.500 . 7.000 3.630 3.513 3.796 . 0 0 "[ . 1 . 2]" 1
142 1 33 PHE QD 1 111 ALA MB 2.700 . 6.200 3.209 2.550 3.996 . 0 0 "[ . 1 . 2]" 1
143 1 33 PHE QE 1 100 VAL QG 2.700 . 7.100 3.406 2.855 3.641 . 0 0 "[ . 1 . 2]" 1
144 1 33 PHE HZ 1 100 VAL QG 2.700 . 5.100 2.998 2.588 3.100 . 0 0 "[ . 1 . 2]" 1
145 1 33 PHE HZ 1 101 THR MG 3.500 . 5.000 3.750 3.457 3.900 . 0 0 "[ . 1 . 2]" 1
146 1 33 PHE HZ 1 113 VAL QG 2.700 . 5.100 3.418 3.099 3.809 . 0 0 "[ . 1 . 2]" 1
147 1 33 PHE HZ 1 67 VAL QG 2.700 . 5.100 3.577 3.250 3.750 . 0 0 "[ . 1 . 2]" 1
148 1 34 SER HA 1 109 ILE MD 5.000 . 6.500 5.265 5.077 5.364 . 0 0 "[ . 1 . 2]" 1
149 1 34 SER HA 1 109 ILE MG 5.000 . 6.500 2.359 2.132 2.548 . 0 0 "[ . 1 . 2]" 1
150 1 35 ALA MB 1 69 SER QB 2.700 . 5.200 2.248 1.873 3.028 . 0 0 "[ . 1 . 2]" 1
151 1 35 ALA MB 1 70 ASP HA 2.700 . 4.200 3.212 2.831 3.354 . 0 0 "[ . 1 . 2]" 1
152 1 44 PHE HA 1 47 ILE MD 2.700 . 4.200 2.953 2.720 3.454 . 0 0 "[ . 1 . 2]" 1
153 1 44 PHE QD 1 47 ILE MD 3.500 . 7.000 3.495 2.429 4.341 . 0 0 "[ . 1 . 2]" 1
154 1 45 THR HA 1 45 THR MG 2.700 . 4.200 2.555 2.071 2.680 . 0 0 "[ . 1 . 2]" 1
155 1 45 THR HA 1 48 LEU QD 5.000 . 7.400 3.348 3.059 3.540 . 0 0 "[ . 1 . 2]" 1
156 1 45 THR MG 1 84 HIS HA 3.500 . 5.000 4.043 3.981 4.107 . 0 0 "[ . 1 . 2]" 1
157 1 45 THR MG 1 84 HIS HD2 2.700 . 4.200 2.422 2.271 2.557 . 0 0 "[ . 1 . 2]" 1
158 1 46 PRO HA 1 49 ALA MB 2.700 . 4.200 2.440 2.222 2.634 . 0 0 "[ . 1 . 2]" 1
159 1 46 PRO QB 1 49 ALA MB 5.000 . 7.500 4.017 3.879 4.134 . 0 0 "[ . 1 . 2]" 1
160 1 46 PRO QG 1 47 ILE MD 5.000 . 7.500 4.659 4.284 5.436 . 0 0 "[ . 1 . 2]" 1
161 1 47 ILE HA 1 47 ILE MD 2.700 . 4.200 3.440 3.135 3.503 . 0 0 "[ . 1 . 2]" 1
162 1 47 ILE HA 1 47 ILE HG13 3.500 . 3.500 3.482 3.446 3.526 0.026 10 0 "[ . 1 . 2]" 1
163 1 47 ILE HA 1 47 ILE MG 2.700 . 4.200 2.350 2.307 2.403 . 0 0 "[ . 1 . 2]" 1
164 1 47 ILE HA 1 50 ASP QB 3.500 . 4.500 2.899 2.540 3.059 . 0 0 "[ . 1 . 2]" 1
165 1 47 ILE HB 1 47 ILE MD 2.700 . 4.200 2.655 2.609 2.843 . 0 0 "[ . 1 . 2]" 1
166 1 47 ILE MD 1 131 GLN HA 3.500 . 5.000 3.959 3.641 4.030 . 0 0 "[ . 1 . 2]" 1
167 1 47 ILE MD 1 131 GLN QG 3.500 . 6.000 3.160 2.569 4.058 . 0 0 "[ . 1 . 2]" 1
168 1 47 ILE MD 1 47 ILE MG 2.700 . 5.700 1.703 1.624 1.743 0.176 10 0 "[ . 1 . 2]" 1
169 1 47 ILE HG12 1 47 ILE MG 2.700 . 4.200 2.657 2.592 2.841 . 0 0 "[ . 1 . 2]" 1
170 1 47 ILE MG 1 131 GLN HA 2.700 . 4.200 2.586 2.190 3.034 . 0 0 "[ . 1 . 2]" 1
171 1 47 ILE MG 1 131 GLN QG 3.500 . 6.000 2.237 1.837 3.104 . 0 0 "[ . 1 . 2]" 1
172 1 48 LEU HA 1 130 VAL QG 3.500 . 5.900 3.355 2.738 3.773 . 0 0 "[ . 1 . 2]" 1
173 1 48 LEU HA 1 48 LEU QD 2.700 . 4.400 2.509 2.419 2.644 . 0 0 "[ . 1 . 2]" 1
174 1 48 LEU HA 1 51 MET QB 5.000 . 6.000 2.543 2.304 3.364 . 0 0 "[ . 1 . 2]" 1
175 1 48 LEU QD 1 112 LEU QD 2.700 . 7.500 2.867 2.299 3.336 . 0 0 "[ . 1 . 2]" 1
176 1 48 LEU QD 1 130 VAL QG 2.700 . 7.500 3.672 3.298 3.971 . 0 0 "[ . 1 . 2]" 1
177 1 48 LEU QD 1 131 GLN QG 5.000 . 8.400 5.105 4.563 5.598 . 0 0 "[ . 1 . 2]" 1
178 1 48 LEU QD 1 51 MET ME 2.700 . 6.600 3.523 3.346 3.698 . 0 0 "[ . 1 . 2]" 1
179 1 48 LEU QD 1 64 ILE MD 2.700 . 6.600 2.876 2.082 3.350 . 0 0 "[ . 1 . 2]" 1
180 1 48 LEU QD 1 64 ILE HG13 2.700 . 5.100 3.736 3.691 3.779 . 0 0 "[ . 1 . 2]" 1
181 1 48 LEU QD 1 64 ILE MG 3.500 . 7.400 3.389 3.092 3.692 . 0 0 "[ . 1 . 2]" 1
182 1 48 LEU QD 1 84 HIS HD2 3.500 . 5.900 3.116 2.801 3.750 . 0 0 "[ . 1 . 2]" 1
183 1 49 ALA HA 1 84 HIS HD2 3.500 . 3.500 3.147 2.745 3.503 0.003 18 0 "[ . 1 . 2]" 1
184 1 49 ALA MB 1 84 HIS HA 5.000 . 6.500 2.804 2.650 2.919 . 0 0 "[ . 1 . 2]" 1
185 1 49 ALA MB 1 84 HIS HD2 2.700 . 4.200 2.160 1.944 2.382 . 0 0 "[ . 1 . 2]" 1
186 1 50 ASP HA 1 53 SER QB 3.500 . 4.500 2.340 2.179 3.273 . 0 0 "[ . 1 . 2]" 1
187 1 51 MET HA 1 130 VAL QG 5.000 . 7.400 4.794 3.883 5.308 . 0 0 "[ . 1 . 2]" 1
188 1 51 MET HA 1 51 MET ME 3.500 . 5.000 4.115 4.005 4.208 . 0 0 "[ . 1 . 2]" 1
189 1 51 MET HA 1 51 MET QG 3.500 . 4.500 2.460 2.121 3.440 . 0 0 "[ . 1 . 2]" 1
190 1 51 MET ME 1 112 LEU QD 2.700 . 6.600 4.022 3.828 4.151 . 0 0 "[ . 1 . 2]" 1
191 1 51 MET ME 1 130 VAL QG 2.700 . 6.600 1.809 1.687 1.939 0.113 17 0 "[ . 1 . 2]" 1
192 1 51 MET ME 1 135 PRO HA 2.700 . 4.200 3.467 3.140 3.613 . 0 0 "[ . 1 . 2]" 1
193 1 51 MET ME 1 137 ALA MB 2.700 . 5.700 3.227 2.909 3.701 . 0 0 "[ . 1 . 2]" 1
194 1 51 MET ME 1 55 LEU QD 2.700 . 6.600 2.589 2.252 2.945 . 0 0 "[ . 1 . 2]" 1
195 1 51 MET ME 1 64 ILE MD 3.500 . 6.500 3.945 3.574 4.309 . 0 0 "[ . 1 . 2]" 1
196 1 51 MET QG 1 130 VAL QG 5.000 . 8.400 2.566 1.918 3.433 . 0 0 "[ . 1 . 2]" 1
197 1 51 MET QG 1 135 PRO HA 5.000 . 6.000 2.643 1.898 4.520 . 0 0 "[ . 1 . 2]" 1
198 1 51 MET QG 1 55 LEU QD 3.500 . 6.900 3.782 3.193 4.179 . 0 0 "[ . 1 . 2]" 1
199 1 52 TYR HA 1 55 LEU QB 5.000 . 6.000 2.379 2.184 2.512 . 0 0 "[ . 1 . 2]" 1
200 1 52 TYR HA 1 55 LEU QD 3.500 . 5.900 3.319 2.990 3.619 . 0 0 "[ . 1 . 2]" 1
201 1 53 SER HA 1 56 VAL HB 3.500 . 3.500 2.523 2.312 2.814 . 0 0 "[ . 1 . 2]" 1
202 1 53 SER HA 1 56 VAL QG 3.500 . 5.900 2.784 2.597 2.939 . 0 0 "[ . 1 . 2]" 1
203 1 54 GLU HA 1 54 GLU QG 2.700 . 3.700 2.912 2.593 3.360 . 0 0 "[ . 1 . 2]" 1
204 1 54 GLU HA 1 57 ASP QB 3.500 . 4.500 2.842 2.710 2.910 . 0 0 "[ . 1 . 2]" 1
205 1 55 LEU HA 1 55 LEU QD 2.700 . 4.400 1.997 1.965 2.015 . 0 0 "[ . 1 . 2]" 1
206 1 55 LEU HA 1 58 ASP QB 3.500 . 4.500 2.547 2.487 2.597 . 0 0 "[ . 1 . 2]" 1
207 1 55 LEU HA 1 60 ALA MB 3.500 . 5.000 3.750 3.731 3.774 . 0 0 "[ . 1 . 2]" 1
208 1 55 LEU QB 1 55 LEU QD 2.700 . 6.100 1.913 1.901 1.927 . 0 0 "[ . 1 . 2]" 1
209 1 55 LEU QB 1 60 ALA MB 5.000 . 7.500 2.033 2.010 2.051 . 0 0 "[ . 1 . 2]" 1
210 1 55 LEU QD 1 135 PRO HA 3.500 . 5.900 3.600 2.852 4.272 . 0 0 "[ . 1 . 2]" 1
211 1 55 LEU QD 1 135 PRO QB 3.500 . 6.900 3.797 3.181 4.494 . 0 0 "[ . 1 . 2]" 1
212 1 55 LEU QD 1 138 PHE QB 5.000 . 8.400 2.147 1.885 2.416 . 0 0 "[ . 1 . 2]" 1
213 1 55 LEU QD 1 138 PHE QD 3.500 . 7.900 2.437 2.124 2.824 . 0 0 "[ . 1 . 2]" 1
214 1 55 LEU QD 1 138 PHE QE 5.000 . 9.400 3.577 3.011 4.071 . 0 0 "[ . 1 . 2]" 1
215 1 55 LEU QD 1 61 PRO QB 2.700 . 6.100 3.905 3.837 4.057 . 0 0 "[ . 1 . 2]" 1
216 1 55 LEU QD 1 61 PRO QG 3.500 . 6.900 3.037 2.634 3.182 . 0 0 "[ . 1 . 2]" 1
217 1 55 LEU QD 1 62 PHE QD 5.000 . 9.400 2.952 2.161 3.349 . 0 0 "[ . 1 . 2]" 1
218 1 56 VAL HA 1 56 VAL QG 2.700 . 4.400 2.073 2.057 2.102 . 0 0 "[ . 1 . 2]" 1
219 1 56 VAL QG 1 62 PHE QE 3.500 . 7.900 3.802 3.583 4.482 . 0 0 "[ . 1 . 2]" 1
220 1 57 ASP QB 1 60 ALA MB 5.000 . 7.500 5.550 5.534 5.559 . 0 0 "[ . 1 . 2]" 1
221 1 58 ASP QB 1 60 ALA MB 3.500 . 6.000 4.508 4.500 4.519 . 0 0 "[ . 1 . 2]" 1
222 1 60 ALA HA 1 61 PRO QD 3.500 . 4.500 1.987 1.931 2.018 . 0 0 "[ . 1 . 2]" 1
223 1 60 ALA MB 1 61 PRO QD 3.500 . 6.000 3.304 3.011 3.383 . 0 0 "[ . 1 . 2]" 1
224 1 62 PHE QE 1 114 ILE MG 3.500 . 7.000 4.407 4.097 5.075 . 0 0 "[ . 1 . 2]" 1
225 1 63 GLU HA 1 87 TRP HE3 3.500 . 3.500 3.570 3.540 3.614 0.114 17 0 "[ . 1 . 2]" 1
226 1 63 GLU QG 1 65 ILE MD 5.000 . 7.500 4.044 2.004 4.890 . 0 0 "[ . 1 . 2]" 1
227 1 63 GLU QG 1 88 LEU QD 5.000 . 8.400 3.277 1.967 4.345 . 0 0 "[ . 1 . 2]" 1
228 1 64 ILE HA 1 64 ILE MD 2.700 . 4.200 2.460 2.126 3.304 . 0 0 "[ . 1 . 2]" 1
229 1 64 ILE HA 1 64 ILE MG 3.500 . 5.000 2.850 2.776 2.913 . 0 0 "[ . 1 . 2]" 1
230 1 64 ILE HB 1 64 ILE MD 2.700 . 4.200 2.217 2.107 2.324 . 0 0 "[ . 1 . 2]" 1
231 1 64 ILE MD 1 112 LEU QD 2.700 . 6.600 3.671 3.280 3.913 . 0 0 "[ . 1 . 2]" 1
232 1 64 ILE MD 1 64 ILE MG 2.700 . 5.700 3.123 2.701 3.232 . 0 0 "[ . 1 . 2]" 1
233 1 64 ILE MD 1 87 TRP HZ2 5.000 . 6.500 4.973 4.736 5.222 . 0 0 "[ . 1 . 2]" 1
234 1 64 ILE MD 1 87 TRP HZ3 5.000 . 6.500 2.281 1.941 2.524 . 0 0 "[ . 1 . 2]" 1
235 1 64 ILE HG13 1 64 ILE MG 2.700 . 4.200 2.572 2.394 2.974 . 0 0 "[ . 1 . 2]" 1
236 1 65 ILE HA 1 65 ILE MG 3.500 . 5.000 2.143 2.050 2.245 . 0 0 "[ . 1 . 2]" 1
237 1 65 ILE MG 1 89 ALA HA 5.000 . 6.500 3.728 3.455 4.185 . 0 0 "[ . 1 . 2]" 1
238 1 66 PHE QB 1 89 ALA MB 3.500 . 6.000 1.832 1.801 1.871 . 0 0 "[ . 1 . 2]" 1
239 1 67 VAL HA 1 67 VAL QG 2.700 . 4.400 2.051 2.007 2.081 . 0 0 "[ . 1 . 2]" 1
240 1 67 VAL QG 1 90 ILE MD 2.700 . 6.600 3.243 2.849 3.524 . 0 0 "[ . 1 . 2]" 1
241 1 67 VAL QG 1 97 ALA HA 3.500 . 5.900 3.434 2.925 3.909 . 0 0 "[ . 1 . 2]" 1
242 1 67 VAL QG 1 97 ALA MB 2.700 . 6.600 2.227 1.932 2.790 . 0 0 "[ . 1 . 2]" 1
243 1 71 ARG HA 1 71 ARG QD 3.500 . 4.500 3.781 3.493 4.119 . 0 0 "[ . 1 . 2]" 1
244 1 71 ARG HA 1 71 ARG QG 3.500 . 4.500 3.010 2.297 3.401 . 0 0 "[ . 1 . 2]" 1
245 1 71 ARG HA 1 76 MET ME 2.700 . 4.200 3.438 3.285 3.621 . 0 0 "[ . 1 . 2]" 1
246 1 71 ARG QB 1 71 ARG QD 2.700 . 4.700 2.189 2.065 2.565 . 0 0 "[ . 1 . 2]" 1
247 1 73 GLU QG 1 77 PHE QE 5.000 . 8.000 3.693 2.767 4.390 . 0 0 "[ . 1 . 2]" 1
248 1 75 ASP HA 1 78 GLN QB 3.500 . 4.500 2.187 2.130 2.381 . 0 0 "[ . 1 . 2]" 1
249 1 76 MET HA 1 76 MET ME 3.500 . 5.000 3.916 3.772 4.025 . 0 0 "[ . 1 . 2]" 1
250 1 76 MET ME 1 77 PHE QD 2.700 . 6.200 4.279 3.946 4.641 . 0 0 "[ . 1 . 2]" 1
251 1 76 MET ME 1 77 PHE QE 2.700 . 6.200 3.042 2.659 3.656 . 0 0 "[ . 1 . 2]" 1
252 1 76 MET ME 1 77 PHE HZ 3.500 . 5.000 3.726 3.391 3.960 . 0 0 "[ . 1 . 2]" 1
253 1 76 MET ME 1 89 ALA MB 2.700 . 5.700 3.682 3.104 3.977 . 0 0 "[ . 1 . 2]" 1
254 1 77 PHE HA 1 77 PHE QD 3.500 . 5.500 2.201 2.134 2.288 . 0 0 "[ . 1 . 2]" 1
255 1 77 PHE HA 1 80 MET QB 5.000 . 6.000 2.292 2.186 2.469 . 0 0 "[ . 1 . 2]" 1
256 1 78 GLN HA 1 78 GLN QG 3.500 . 4.500 2.370 2.151 2.766 . 0 0 "[ . 1 . 2]" 1
257 1 79 TYR HA 1 82 GLU QB 5.000 . 6.000 2.391 2.166 2.748 . 0 0 "[ . 1 . 2]" 1
258 1 80 MET ME 1 89 ALA MB 2.700 . 5.700 2.074 1.806 2.415 . 0 0 "[ . 1 . 2]" 1
259 1 81 MET HA 1 81 MET ME 2.700 . 4.200 3.159 1.971 3.466 . 0 0 "[ . 1 . 2]" 1
260 1 81 MET HA 1 81 MET QG 3.500 . 4.500 2.463 2.146 3.427 . 0 0 "[ . 1 . 2]" 1
261 1 82 GLU HA 1 82 GLU QG 2.700 . 3.700 2.432 2.115 3.338 . 0 0 "[ . 1 . 2]" 1
262 1 87 TRP HA 1 88 LEU QD 5.000 . 7.400 3.307 2.854 3.974 . 0 0 "[ . 1 . 2]" 1
263 1 88 LEU HA 1 88 LEU QD 2.700 . 4.400 2.802 2.122 2.952 . 0 0 "[ . 1 . 2]" 1
264 1 88 LEU QB 1 88 LEU QD 2.700 . 6.100 1.878 1.793 2.071 0.007 16 0 "[ . 1 . 2]" 1
265 1 90 ILE HA 1 90 ILE MG 3.500 . 5.000 2.174 2.150 2.207 . 0 0 "[ . 1 . 2]" 1
266 1 90 ILE HB 1 90 ILE MD 3.500 . 5.000 2.695 2.601 2.745 . 0 0 "[ . 1 . 2]" 1
267 1 90 ILE HB 1 91 PRO HA 5.000 . 5.000 5.108 5.030 5.128 0.128 2 0 "[ . 1 . 2]" 1
268 1 90 ILE MD 1 90 ILE MG 2.700 . 5.700 1.653 1.630 1.681 0.170 16 0 "[ . 1 . 2]" 1
269 1 90 ILE MD 1 97 ALA HA 2.700 . 4.200 3.019 2.869 3.158 . 0 0 "[ . 1 . 2]" 1
270 1 90 ILE MD 1 97 ALA MB 2.700 . 5.700 2.527 2.314 2.729 . 0 0 "[ . 1 . 2]" 1
271 1 90 ILE HG12 1 90 ILE MG 2.700 . 4.200 2.668 2.568 2.722 . 0 0 "[ . 1 . 2]" 1
272 1 90 ILE MG 1 96 PRO QB 5.000 . 7.500 3.474 3.344 3.611 . 0 0 "[ . 1 . 2]" 1
273 1 90 ILE MG 1 97 ALA HA 3.500 . 5.000 3.479 3.343 3.574 . 0 0 "[ . 1 . 2]" 1
274 1 90 ILE MG 1 97 ALA MB 2.700 . 5.700 2.166 2.022 2.260 . 0 0 "[ . 1 . 2]" 1
275 1 92 TYR QE 1 93 ARG QD 3.500 . 6.500 3.208 2.459 4.323 . 0 0 "[ . 1 . 2]" 1
276 1 93 ARG HA 1 93 ARG QD 3.500 . 4.500 3.583 2.213 4.028 . 0 0 "[ . 1 . 2]" 1
277 1 93 ARG HA 1 93 ARG QG 3.500 . 4.500 2.307 2.099 3.311 . 0 0 "[ . 1 . 2]" 1
278 1 93 ARG QB 1 93 ARG QD 2.700 . 4.700 2.224 2.059 2.633 . 0 0 "[ . 1 . 2]" 1
279 1 97 ALA HA 1 100 VAL QG 3.500 . 5.900 2.737 2.591 2.858 . 0 0 "[ . 1 . 2]" 1
280 1 98 SER HA 1 101 THR HB 3.500 . 3.500 3.374 3.249 3.488 . 0 0 "[ . 1 . 2]" 1
281 1 100 VAL HA 1 100 VAL QG 2.700 . 4.400 2.070 2.041 2.080 . 0 0 "[ . 1 . 2]" 1
282 1 100 VAL HA 1 103 LYS QB 5.000 . 6.000 2.303 2.208 2.382 . 0 0 "[ . 1 . 2]" 1
283 1 100 VAL QG 1 101 THR HA 5.000 . 7.400 2.883 2.823 2.939 . 0 0 "[ . 1 . 2]" 1
284 1 100 VAL QG 1 104 TYR QE 3.500 . 7.900 2.964 2.164 3.708 . 0 0 "[ . 1 . 2]" 1
285 1 101 THR HA 1 101 THR MG 2.700 . 4.200 2.191 2.106 2.275 . 0 0 "[ . 1 . 2]" 1
286 1 101 THR HB 1 102 ALA MB 2.700 . 4.200 3.486 3.429 3.565 . 0 0 "[ . 1 . 2]" 1
287 1 101 THR MG 1 106 ILE MG 2.700 . 5.700 2.869 2.743 3.134 . 0 0 "[ . 1 . 2]" 1
288 1 104 TYR HA 1 104 TYR QD 3.500 . 5.500 2.479 2.193 2.930 . 0 0 "[ . 1 . 2]" 1
289 1 104 TYR QB 1 106 ILE MD 5.000 . 7.500 2.524 2.172 2.955 . 0 0 "[ . 1 . 2]" 1
290 1 104 TYR QD 1 113 VAL QG 3.500 . 7.900 3.123 2.155 3.790 . 0 0 "[ . 1 . 2]" 1
291 1 104 TYR QE 1 113 VAL QG 5.000 . 9.400 3.336 2.536 4.086 . 0 0 "[ . 1 . 2]" 1
292 1 104 TYR QE 1 115 VAL QG 3.500 . 7.900 2.884 2.023 3.836 . 0 0 "[ . 1 . 2]" 1
293 1 104 TYR QE 1 121 LEU QD 3.500 . 7.900 2.543 2.070 3.357 . 0 0 "[ . 1 . 2]" 1
294 1 106 ILE HA 1 106 ILE MD 2.700 . 4.200 2.534 2.440 2.640 . 0 0 "[ . 1 . 2]" 1
295 1 106 ILE HA 1 106 ILE MG 2.700 . 4.200 2.227 2.160 2.259 . 0 0 "[ . 1 . 2]" 1
296 1 106 ILE HA 1 109 ILE MD 3.500 . 5.000 4.194 4.132 4.233 . 0 0 "[ . 1 . 2]" 1
297 1 106 ILE HB 1 107 THR MG 3.500 . 5.000 3.485 2.991 4.158 . 0 0 "[ . 1 . 2]" 1
298 1 106 ILE MD 1 106 ILE MG 2.700 . 5.700 1.696 1.641 1.725 0.159 11 0 "[ . 1 . 2]" 1
299 1 106 ILE MD 1 111 ALA MB 2.700 . 5.700 3.430 2.809 3.774 . 0 0 "[ . 1 . 2]" 1
300 1 106 ILE MD 1 113 VAL QG 2.700 . 6.600 1.737 1.688 1.764 0.112 12 0 "[ . 1 . 2]" 1
301 1 106 ILE MD 1 124 MET ME 2.700 . 5.700 3.758 3.644 3.844 . 0 0 "[ . 1 . 2]" 1
302 1 106 ILE HG13 1 106 ILE MG 2.700 . 4.200 2.733 2.705 2.790 . 0 0 "[ . 1 . 2]" 1
303 1 106 ILE HG12 1 106 ILE MG 3.500 . 5.000 3.099 3.070 3.113 . 0 0 "[ . 1 . 2]" 1
304 1 106 ILE MG 1 107 THR HB 5.000 . 6.500 5.152 5.104 5.201 . 0 0 "[ . 1 . 2]" 1
305 1 106 ILE MG 1 107 THR MG 2.700 . 5.700 3.799 3.779 3.818 . 0 0 "[ . 1 . 2]" 1
306 1 106 ILE MG 1 109 ILE MG 2.700 . 5.700 3.528 3.205 3.785 . 0 0 "[ . 1 . 2]" 1
307 1 106 ILE MG 1 111 ALA MB 2.700 . 5.700 2.665 2.265 2.876 . 0 0 "[ . 1 . 2]" 1
308 1 107 THR HA 1 107 THR MG 2.700 . 4.200 2.671 2.571 2.843 . 0 0 "[ . 1 . 2]" 1
309 1 109 ILE HA 1 109 ILE MG 2.700 . 4.200 2.033 1.951 2.071 . 0 0 "[ . 1 . 2]" 1
310 1 109 ILE HA 1 110 PRO HA 5.000 . 5.000 2.181 2.096 2.295 . 0 0 "[ . 1 . 2]" 1
311 1 109 ILE HA 1 111 ALA MB 3.500 . 5.000 2.645 2.394 2.824 . 0 0 "[ . 1 . 2]" 1
312 1 109 ILE HB 1 109 ILE MD 3.500 . 5.000 3.186 3.182 3.189 . 0 0 "[ . 1 . 2]" 1
313 1 109 ILE HB 1 110 PRO HA 5.000 . 5.000 3.251 3.088 3.430 . 0 0 "[ . 1 . 2]" 1
314 1 109 ILE MD 1 109 ILE MG 2.700 . 5.700 2.006 1.927 2.136 . 0 0 "[ . 1 . 2]" 1
315 1 109 ILE MD 1 110 PRO HA 5.000 . 6.500 4.031 3.825 4.179 . 0 0 "[ . 1 . 2]" 1
316 1 109 ILE MG 1 110 PRO HA 3.500 . 5.000 2.057 1.928 2.119 . 0 0 "[ . 1 . 2]" 1
317 1 109 ILE MG 1 110 PRO QB 2.700 . 5.200 3.494 3.245 3.616 . 0 0 "[ . 1 . 2]" 1
318 1 109 ILE MG 1 111 ALA MB 3.500 . 6.500 3.266 3.061 3.549 . 0 0 "[ . 1 . 2]" 1
319 1 111 ALA MB 1 112 LEU QB 3.500 . 6.000 4.368 4.288 4.452 . 0 0 "[ . 1 . 2]" 1
320 1 112 LEU HA 1 112 LEU QD 2.700 . 4.400 2.705 2.330 2.869 . 0 0 "[ . 1 . 2]" 1
321 1 112 LEU QD 1 114 ILE MD 2.700 . 6.600 1.701 1.680 1.758 0.120 15 0 "[ . 1 . 2]" 1
322 1 112 LEU QD 1 123 SER QB 5.000 . 8.400 5.050 4.332 5.551 . 0 0 "[ . 1 . 2]" 1
323 1 112 LEU QD 1 126 GLY QA 5.000 . 8.400 3.851 2.130 4.503 . 0 0 "[ . 1 . 2]" 1
324 1 112 LEU QD 1 130 VAL QG 2.700 . 7.500 2.895 2.575 3.218 . 0 0 "[ . 1 . 2]" 1
325 1 112 LEU HG 1 114 ILE MD 3.500 . 5.000 3.889 3.794 4.056 . 0 0 "[ . 1 . 2]" 1
326 1 113 VAL HA 1 113 VAL QG 2.700 . 4.400 1.975 1.920 2.088 . 0 0 "[ . 1 . 2]" 1
327 1 113 VAL HA 1 124 MET HA 5.000 . 5.000 2.502 2.028 2.881 . 0 0 "[ . 1 . 2]" 1
328 1 113 VAL QG 1 115 VAL QG 2.700 . 7.500 2.044 1.932 2.127 . 0 0 "[ . 1 . 2]" 1
329 1 113 VAL QG 1 121 LEU QD 2.700 . 7.500 3.081 2.839 3.324 . 0 0 "[ . 1 . 2]" 1
330 1 113 VAL QG 1 124 MET HA 3.500 . 5.900 2.737 2.129 3.148 . 0 0 "[ . 1 . 2]" 1
331 1 113 VAL QG 1 124 MET ME 2.700 . 6.600 1.679 1.601 1.771 0.199 15 0 "[ . 1 . 2]" 1
332 1 114 ILE HA 1 114 ILE MD 3.500 . 5.000 2.060 1.996 2.139 . 0 0 "[ . 1 . 2]" 1
333 1 114 ILE HA 1 114 ILE MG 3.500 . 5.000 2.319 2.221 2.382 . 0 0 "[ . 1 . 2]" 1
334 1 114 ILE HA 1 115 VAL QG 5.000 . 7.400 3.144 3.051 3.244 . 0 0 "[ . 1 . 2]" 1
335 1 114 ILE HA 1 124 MET ME 3.500 . 5.000 4.217 4.031 4.303 . 0 0 "[ . 1 . 2]" 1
336 1 114 ILE MD 1 114 ILE MG 2.700 . 5.700 1.689 1.594 1.912 0.206 14 0 "[ . 1 . 2]" 1
337 1 114 ILE MD 1 141 TRP HE3 3.500 . 5.000 3.165 2.829 3.614 . 0 0 "[ . 1 . 2]" 1
338 1 114 ILE HG13 1 114 ILE MG 3.500 . 5.000 2.365 2.277 2.415 . 0 0 "[ . 1 . 2]" 1
339 1 114 ILE MG 1 115 VAL QG 2.700 . 6.600 3.702 3.588 3.791 . 0 0 "[ . 1 . 2]" 1
340 1 114 ILE MG 1 121 LEU QD 3.500 . 7.400 4.456 4.385 4.496 . 0 0 "[ . 1 . 2]" 1
341 1 114 ILE MG 1 122 ILE HB 5.000 . 6.500 4.200 3.931 4.458 . 0 0 "[ . 1 . 2]" 1
342 1 114 ILE MG 1 122 ILE MD 2.700 . 5.700 3.591 3.258 3.735 . 0 0 "[ . 1 . 2]" 1
343 1 114 ILE MG 1 122 ILE HG12 5.000 . 6.500 3.347 3.047 3.700 . 0 0 "[ . 1 . 2]" 1
344 1 114 ILE MG 1 122 ILE MG 2.700 . 5.700 2.018 1.895 2.168 . 0 0 "[ . 1 . 2]" 1
345 1 114 ILE MG 1 141 TRP QB 5.000 . 7.500 2.625 2.199 2.848 . 0 0 "[ . 1 . 2]" 1
346 1 115 VAL HA 1 115 VAL QG 2.700 . 4.400 2.471 2.396 2.540 . 0 0 "[ . 1 . 2]" 1
347 1 115 VAL HA 1 121 LEU HA 5.000 . 5.000 2.775 2.576 2.933 . 0 0 "[ . 1 . 2]" 1
348 1 115 VAL HA 1 122 ILE MD 5.000 . 6.500 5.294 5.250 5.325 . 0 0 "[ . 1 . 2]" 1
349 1 115 VAL HB 1 121 LEU HA 3.500 . 3.500 3.257 2.921 3.466 . 0 0 "[ . 1 . 2]" 1
350 1 115 VAL QG 1 119 GLY QA 5.000 . 8.400 2.634 2.140 2.918 . 0 0 "[ . 1 . 2]" 1
351 1 115 VAL QG 1 121 LEU HA 2.700 . 5.100 3.358 3.089 3.547 . 0 0 "[ . 1 . 2]" 1
352 1 116 LYS HA 1 122 ILE MD 5.000 . 6.500 5.187 4.939 5.219 . 0 0 "[ . 1 . 2]" 1
353 1 116 LYS QB 1 120 THR HA 3.500 . 4.500 3.708 3.667 3.756 . 0 0 "[ . 1 . 2]" 1
354 1 116 LYS QB 1 120 THR HB 5.000 . 6.000 2.131 2.030 2.199 . 0 0 "[ . 1 . 2]" 1
355 1 116 LYS QD 1 120 THR HB 3.500 . 4.500 2.086 1.971 2.377 . 0 0 "[ . 1 . 2]" 1
356 1 116 LYS QD 1 120 THR MG 3.500 . 6.000 2.973 2.666 3.907 . 0 0 "[ . 1 . 2]" 1
357 1 116 LYS QD 1 122 ILE MD 3.500 . 6.000 4.180 2.772 4.398 . 0 0 "[ . 1 . 2]" 1
358 1 116 LYS QE 1 120 THR MG 3.500 . 6.000 4.037 2.546 4.422 . 0 0 "[ . 1 . 2]" 1
359 1 116 LYS QE 1 122 ILE MG 3.500 . 6.000 4.136 3.661 4.369 . 0 0 "[ . 1 . 2]" 1
360 1 116 LYS QG 1 120 THR HA 5.000 . 6.000 4.846 4.475 5.276 . 0 0 "[ . 1 . 2]" 1
361 1 116 LYS QG 1 120 THR HB 5.000 . 6.000 2.539 2.158 2.932 . 0 0 "[ . 1 . 2]" 1
362 1 116 LYS QG 1 122 ILE MD 3.500 . 6.000 3.364 3.215 4.043 . 0 0 "[ . 1 . 2]" 1
363 1 117 LYS QB 1 117 LYS QE 3.500 . 5.500 3.278 2.152 3.871 . 0 0 "[ . 1 . 2]" 1
364 1 120 THR HA 1 120 THR MG 2.700 . 4.200 2.121 2.082 2.161 . 0 0 "[ . 1 . 2]" 1
365 1 121 LEU HA 1 121 LEU QD 2.700 . 4.400 1.880 1.849 1.897 . 0 0 "[ . 1 . 2]" 1
366 1 121 LEU HA 1 122 ILE MG 2.700 . 4.200 3.227 3.154 3.291 . 0 0 "[ . 1 . 2]" 1
367 1 121 LEU QB 1 121 LEU QD 2.700 . 6.100 1.980 1.976 1.985 . 0 0 "[ . 1 . 2]" 1
368 1 121 LEU QD 1 124 MET HA 5.000 . 7.400 3.496 3.232 3.750 . 0 0 "[ . 1 . 2]" 1
369 1 121 LEU QD 1 124 MET ME 2.700 . 6.600 1.815 1.662 1.958 0.138 3 0 "[ . 1 . 2]" 1
370 1 121 LEU QD 1 124 MET QG 2.700 . 6.100 2.832 1.993 3.704 . 0 0 "[ . 1 . 2]" 1
371 1 122 ILE HA 1 122 ILE MD 3.500 . 5.000 3.286 3.100 3.470 . 0 0 "[ . 1 . 2]" 1
372 1 122 ILE HA 1 122 ILE HG13 3.500 . 3.500 2.496 2.473 2.559 . 0 0 "[ . 1 . 2]" 1
373 1 122 ILE HA 1 122 ILE MG 2.700 . 4.200 3.163 3.158 3.166 . 0 0 "[ . 1 . 2]" 1
374 1 122 ILE HB 1 122 ILE MD 2.700 . 4.200 2.129 2.101 2.161 . 0 0 "[ . 1 . 2]" 1
375 1 122 ILE MD 1 141 TRP QB 5.000 . 7.500 3.965 3.835 4.061 . 0 0 "[ . 1 . 2]" 1
376 1 122 ILE MG 1 123 SER QB 5.000 . 7.500 2.922 2.541 3.559 . 0 0 "[ . 1 . 2]" 1
377 1 122 ILE MG 1 124 MET ME 2.700 . 5.700 3.695 3.583 3.780 . 0 0 "[ . 1 . 2]" 1
378 1 122 ILE MG 1 141 TRP HA 2.700 . 4.200 3.195 3.086 3.271 . 0 0 "[ . 1 . 2]" 1
379 1 122 ILE MG 1 141 TRP QB 3.500 . 6.000 4.204 4.171 4.260 . 0 0 "[ . 1 . 2]" 1
380 1 124 MET HA 1 124 MET ME 2.700 . 4.200 1.923 1.862 2.045 . 0 0 "[ . 1 . 2]" 1
381 1 124 MET ME 1 124 MET QG 2.700 . 5.200 2.059 1.958 2.193 . 0 0 "[ . 1 . 2]" 1
382 1 128 GLY QA 1 131 GLN QB 5.000 . 7.000 2.431 2.156 3.471 . 0 0 "[ . 1 . 2]" 1
383 1 129 GLU HA 1 133 LEU QD 5.000 . 7.400 4.548 3.562 5.098 . 0 0 "[ . 1 . 2]" 1
384 1 129 GLU QB 1 137 ALA MB 3.500 . 6.000 3.407 2.322 4.012 . 0 0 "[ . 1 . 2]" 1
385 1 130 VAL HA 1 130 VAL QG 2.700 . 4.400 2.075 1.994 2.145 . 0 0 "[ . 1 . 2]" 1
386 1 130 VAL HA 1 137 ALA MB 2.700 . 4.200 1.908 1.872 1.954 . 0 0 "[ . 1 . 2]" 1
387 1 130 VAL QG 1 137 ALA MB 2.700 . 6.600 2.057 1.803 2.319 . 0 0 "[ . 1 . 2]" 1
388 1 130 VAL QG 1 141 TRP HD1 3.500 . 5.900 3.652 3.442 3.983 . 0 0 "[ . 1 . 2]" 1
389 1 130 VAL QG 1 141 TRP HH2 2.700 . 5.100 2.812 2.540 3.326 . 0 0 "[ . 1 . 2]" 1
390 1 130 VAL QG 1 141 TRP HZ2 3.500 . 5.900 2.488 2.045 2.783 . 0 0 "[ . 1 . 2]" 1
391 1 131 GLN HA 1 131 GLN QG 3.500 . 4.500 2.215 2.077 2.509 . 0 0 "[ . 1 . 2]" 1
392 1 131 GLN HA 1 134 GLY QA 5.000 . 6.000 3.331 3.151 3.610 . 0 0 "[ . 1 . 2]" 1
393 1 132 SER QB 1 133 LEU QD 3.500 . 6.900 3.902 3.068 4.143 . 0 0 "[ . 1 . 2]" 1
394 1 132 SER QB 1 133 LEU HG 3.500 . 4.500 3.496 2.549 3.759 . 0 0 "[ . 1 . 2]" 1
395 1 133 LEU HA 1 133 LEU QD 2.700 . 4.400 2.076 1.978 3.307 . 0 0 "[ . 1 . 2]" 1
396 1 133 LEU QB 1 133 LEU QD 2.700 . 6.100 1.902 1.884 1.922 . 0 0 "[ . 1 . 2]" 1
397 1 133 LEU QB 1 137 ALA MB 3.500 . 6.000 2.271 2.019 3.960 . 0 0 "[ . 1 . 2]" 1
398 1 133 LEU QD 1 136 ARG QD 3.500 . 6.900 3.211 2.048 4.092 . 0 0 "[ . 1 . 2]" 1
399 1 133 LEU QD 1 137 ALA HA 2.700 . 5.100 2.387 2.054 2.675 . 0 0 "[ . 1 . 2]" 1
400 1 134 GLY QA 1 135 PRO QD 3.500 . 5.500 1.952 1.909 1.972 . 0 0 "[ . 1 . 2]" 1
401 1 136 ARG HA 1 136 ARG QD 3.500 . 4.500 3.644 2.424 4.043 . 0 0 "[ . 1 . 2]" 1
402 1 136 ARG HA 1 136 ARG QG 2.700 . 3.700 2.793 2.670 3.280 . 0 0 "[ . 1 . 2]" 1
403 1 136 ARG HA 1 139 GLN QB 5.000 . 6.000 5.048 4.827 5.195 . 0 0 "[ . 1 . 2]" 1
404 1 136 ARG QB 1 136 ARG QD 2.700 . 4.700 2.183 2.049 2.482 . 0 0 "[ . 1 . 2]" 1
405 1 137 ALA MB 1 140 ASN QB 5.000 . 7.500 3.088 2.706 3.518 . 0 0 "[ . 1 . 2]" 1
406 1 138 PHE HA 1 138 PHE QE 5.000 . 7.000 4.673 4.336 4.888 . 0 0 "[ . 1 . 2]" 1
407 1 138 PHE QD 1 142 ALA MB 5.000 . 8.500 2.995 2.557 3.628 . 0 0 "[ . 1 . 2]" 1
408 1 138 PHE HZ 1 142 ALA MB 3.500 . 5.000 3.091 2.803 3.436 . 0 0 "[ . 1 . 2]" 1
409 1 139 GLN HA 1 139 GLN QG 2.700 . 3.700 2.692 2.115 3.330 . 0 0 "[ . 1 . 2]" 1
410 1 139 GLN HA 1 142 ALA MB 2.700 . 4.200 3.174 3.016 3.246 . 0 0 "[ . 1 . 2]" 1
411 1 140 ASN HA 1 143 ARG QB 5.000 . 6.000 3.483 2.139 5.103 . 0 0 "[ . 1 . 2]" 1
412 1 140 ASN HA 1 143 ARG QD 5.000 . 6.000 3.506 2.147 5.303 . 0 0 "[ . 1 . 2]" 1
413 1 141 TRP HA 1 141 TRP HD1 3.500 . 3.500 2.332 2.242 2.481 . 0 0 "[ . 1 . 2]" 1
414 1 143 ARG HA 1 143 ARG QD 3.500 . 4.500 3.357 2.053 4.078 . 0 0 "[ . 1 . 2]" 1
415 1 143 ARG HA 1 143 ARG QG 2.700 . 3.700 2.433 2.093 3.357 . 0 0 "[ . 1 . 2]" 1
416 1 143 ARG QB 1 143 ARG QD 2.700 . 4.700 2.185 2.035 2.904 . 0 0 "[ . 1 . 2]" 1
417 1 3 PHE QB 1 4 ILE H 5.000 . 6.000 2.268 1.693 3.785 0.107 10 0 "[ . 1 . 2]" 1
418 1 4 ILE HA 1 5 GLN H 3.500 . 3.500 3.543 3.480 3.559 0.059 6 0 "[ . 1 . 2]" 1
419 1 4 ILE H 1 4 ILE HB 3.500 . 3.500 3.464 3.409 3.514 0.014 18 0 "[ . 1 . 2]" 1
420 1 4 ILE HB 1 5 GLN H 3.500 . 3.500 3.083 2.665 3.513 0.013 7 0 "[ . 1 . 2]" 1
421 1 4 ILE H 1 4 ILE HG13 3.500 . 3.500 1.842 1.795 2.026 0.005 18 0 "[ . 1 . 2]" 1
422 1 4 ILE HG13 1 5 GLN H 5.000 . 5.000 1.976 1.794 2.322 0.006 8 0 "[ . 1 . 2]" 1
423 1 4 ILE H 1 4 ILE HG12 5.000 . 5.000 2.022 1.801 2.661 . 0 0 "[ . 1 . 2]" 1
424 1 4 ILE HG12 1 5 GLN H 5.000 . 5.000 3.572 3.438 3.770 . 0 0 "[ . 1 . 2]" 1
425 1 4 ILE H 1 4 ILE MG 3.500 . 5.000 2.985 2.766 3.494 . 0 0 "[ . 1 . 2]" 1
426 1 4 ILE MG 1 5 GLN H 3.500 . 5.000 4.083 3.952 4.249 . 0 0 "[ . 1 . 2]" 1
427 1 4 ILE H 1 5 GLN QG 5.000 . 6.000 3.875 3.104 5.028 . 0 0 "[ . 1 . 2]" 1
428 1 4 ILE H 1 5 GLN H 2.900 . 2.900 2.570 2.117 2.905 0.005 20 0 "[ . 1 . 2]" 1
429 1 5 GLN H 1 5 GLN HA 2.900 . 2.900 2.680 2.669 2.840 . 0 0 "[ . 1 . 2]" 1
430 1 5 GLN HA 1 6 GLY H 2.900 . 2.900 2.151 2.145 2.186 . 0 0 "[ . 1 . 2]" 1
431 1 5 GLN H 1 5 GLN QB 2.900 . 3.500 2.560 2.198 2.896 . 0 0 "[ . 1 . 2]" 1
432 1 5 GLN QB 1 6 GLY H 5.000 . 6.000 3.339 3.062 3.491 . 0 0 "[ . 1 . 2]" 1
433 1 5 GLN H 1 5 GLN QG 3.500 . 4.500 2.204 1.635 3.090 0.165 10 0 "[ . 1 . 2]" 1
434 1 5 GLN QG 1 6 GLY H 5.000 . 6.000 4.240 3.421 4.808 . 0 0 "[ . 1 . 2]" 1
435 1 6 GLY QA 1 7 ILE H 3.500 . 4.500 2.914 2.885 2.926 . 0 0 "[ . 1 . 2]" 1
436 1 6 GLY H 1 7 ILE H 5.000 . 5.000 2.124 1.945 2.311 . 0 0 "[ . 1 . 2]" 1
437 1 7 ILE H 1 7 ILE HA 2.900 . 2.900 2.932 2.919 2.940 0.040 6 0 "[ . 1 . 2]" 1
438 1 7 ILE HA 1 8 LYS H 3.500 . 3.500 2.533 2.468 2.612 . 0 0 "[ . 1 . 2]" 1
439 1 7 ILE H 1 7 ILE HB 3.500 . 3.500 3.640 3.618 3.689 0.189 5 0 "[ . 1 . 2]" 1
440 1 7 ILE HB 1 8 LYS H 2.900 . 2.900 2.181 2.014 2.308 . 0 0 "[ . 1 . 2]" 1
441 1 7 ILE H 1 7 ILE MD 3.500 . 5.000 3.600 3.522 3.875 . 0 0 "[ . 1 . 2]" 1
442 1 7 ILE MD 1 8 LYS H 5.000 . 6.500 3.859 2.838 4.061 . 0 0 "[ . 1 . 2]" 1
443 1 7 ILE H 1 7 ILE HG13 2.900 . 2.900 2.816 2.224 2.913 0.013 15 0 "[ . 1 . 2]" 1
444 1 7 ILE HG13 1 8 LYS H 3.500 . 3.500 3.447 3.305 3.540 0.040 5 0 "[ . 1 . 2]" 1
445 1 7 ILE H 1 7 ILE HG12 2.900 . 2.900 1.928 1.772 2.586 0.028 20 0 "[ . 1 . 2]" 1
446 1 7 ILE H 1 7 ILE MG 2.900 . 4.400 2.628 2.387 2.808 . 0 0 "[ . 1 . 2]" 1
447 1 7 ILE MG 1 8 LYS H 2.900 . 4.400 3.629 3.506 3.725 . 0 0 "[ . 1 . 2]" 1
448 1 7 ILE H 1 8 LYS H 5.000 . 5.000 4.482 4.426 4.534 . 0 0 "[ . 1 . 2]" 1
449 1 8 LYS HA 1 19 ALA H 3.500 . 3.500 2.552 1.793 3.199 0.007 5 0 "[ . 1 . 2]" 1
450 1 8 LYS H 1 8 LYS HA 2.900 . 2.900 2.932 2.895 2.951 0.051 13 0 "[ . 1 . 2]" 1
451 1 8 LYS HA 1 9 LEU H 2.900 . 2.900 2.313 2.162 2.476 . 0 0 "[ . 1 . 2]" 1
452 1 8 LYS H 1 8 LYS QB 2.900 . 3.500 2.660 2.439 3.068 . 0 0 "[ . 1 . 2]" 1
453 1 8 LYS QB 1 9 LEU H 3.500 . 4.500 2.722 2.300 3.162 . 0 0 "[ . 1 . 2]" 1
454 1 8 LYS H 1 8 LYS QG 3.500 . 4.500 3.051 2.500 3.549 . 0 0 "[ . 1 . 2]" 1
455 1 8 LYS QG 1 9 LEU H 3.500 . 4.500 3.875 2.992 4.059 . 0 0 "[ . 1 . 2]" 1
456 1 8 LYS H 1 9 LEU H 5.000 . 5.000 4.493 4.419 4.594 . 0 0 "[ . 1 . 2]" 1
457 1 9 LEU HA 1 10 VAL H 2.900 . 2.900 2.435 2.288 2.619 . 0 0 "[ . 1 . 2]" 1
458 1 9 LEU QB 1 10 VAL H 2.900 . 3.900 2.686 2.167 3.156 . 0 0 "[ . 1 . 2]" 1
459 1 9 LEU QB 1 17 VAL H 3.500 . 4.500 3.728 3.313 4.042 . 0 0 "[ . 1 . 2]" 1
460 1 9 LEU H 1 9 LEU QB 2.900 . 3.500 2.544 2.198 2.800 . 0 0 "[ . 1 . 2]" 1
461 1 9 LEU QD 1 10 VAL H 2.900 . 5.300 3.305 1.704 3.498 0.096 12 0 "[ . 1 . 2]" 1
462 1 9 LEU QD 1 89 ALA H 5.000 . 7.400 2.946 1.900 3.585 . 0 0 "[ . 1 . 2]" 1
463 1 9 LEU H 1 10 VAL H 5.000 . 5.000 4.457 4.357 4.561 . 0 0 "[ . 1 . 2]" 1
464 1 9 LEU H 1 17 VAL H 3.500 . 3.500 2.884 2.531 3.350 . 0 0 "[ . 1 . 2]" 1
465 1 9 LEU H 1 18 ASN HA 5.000 . 5.000 3.496 2.969 3.941 . 0 0 "[ . 1 . 2]" 1
466 1 10 VAL HA 1 11 LYS H 2.900 . 2.900 2.163 2.144 2.252 . 0 0 "[ . 1 . 2]" 1
467 1 10 VAL HA 1 17 VAL H 3.500 . 3.500 3.502 3.313 3.538 0.038 11 0 "[ . 1 . 2]" 1
468 1 10 VAL HB 1 11 LYS H 5.000 . 5.000 4.331 4.128 4.497 . 0 0 "[ . 1 . 2]" 1
469 1 10 VAL H 1 10 VAL QG 2.900 . 4.600 2.899 2.737 3.011 . 0 0 "[ . 1 . 2]" 1
470 1 10 VAL QG 1 11 LYS H 2.900 . 5.300 2.517 2.042 2.906 . 0 0 "[ . 1 . 2]" 1
471 1 10 VAL QG 1 14 ARG H 3.500 . 5.900 3.576 3.463 3.649 . 0 0 "[ . 1 . 2]" 1
472 1 10 VAL QG 1 15 CYS H 5.000 . 7.400 3.188 2.927 3.408 . 0 0 "[ . 1 . 2]" 1
473 1 10 VAL QG 1 16 GLU H 5.000 . 7.400 4.439 4.302 4.626 . 0 0 "[ . 1 . 2]" 1
474 1 10 VAL QG 1 17 VAL H 3.500 . 5.900 4.082 3.826 4.249 . 0 0 "[ . 1 . 2]" 1
475 1 10 VAL QG 1 89 ALA H 3.500 . 5.900 4.318 4.042 4.413 . 0 0 "[ . 1 . 2]" 1
476 1 10 VAL H 1 11 LYS H 5.000 . 5.000 4.349 4.179 4.519 . 0 0 "[ . 1 . 2]" 1
477 1 10 VAL H 1 88 LEU HA 5.000 . 5.000 5.054 5.012 5.098 0.098 16 0 "[ . 1 . 2]" 1
478 1 10 VAL H 1 89 ALA H 3.500 . 3.500 3.078 2.924 3.184 . 0 0 "[ . 1 . 2]" 1
479 1 10 VAL H 1 90 ILE HA 5.000 . 5.000 3.695 3.482 3.857 . 0 0 "[ . 1 . 2]" 1
480 1 10 VAL H 1 91 PRO HA 5.000 . 5.000 5.067 5.036 5.088 0.088 16 0 "[ . 1 . 2]" 1
481 1 11 LYS HA 1 12 LYS H 2.900 . 2.900 2.216 2.197 2.246 . 0 0 "[ . 1 . 2]" 1
482 1 11 LYS H 1 11 LYS QB 2.900 . 3.500 2.809 2.416 2.998 . 0 0 "[ . 1 . 2]" 1
483 1 11 LYS QB 1 12 LYS H 2.900 . 3.900 2.966 2.890 3.016 . 0 0 "[ . 1 . 2]" 1
484 1 11 LYS QB 1 14 ARG H 5.000 . 6.000 4.013 3.830 4.470 . 0 0 "[ . 1 . 2]" 1
485 1 11 LYS QB 1 15 CYS H 3.500 . 4.500 2.806 2.444 3.822 . 0 0 "[ . 1 . 2]" 1
486 1 11 LYS H 1 11 LYS QD 5.000 . 6.000 3.669 3.566 3.982 . 0 0 "[ . 1 . 2]" 1
487 1 11 LYS H 1 11 LYS QG 2.900 . 3.900 1.761 1.617 2.339 0.183 5 0 "[ . 1 . 2]" 1
488 1 11 LYS QG 1 15 CYS H 5.000 . 6.000 3.250 2.051 4.317 . 0 0 "[ . 1 . 2]" 1
489 1 11 LYS H 1 12 LYS H 5.000 . 5.000 4.575 4.507 4.611 . 0 0 "[ . 1 . 2]" 1
490 1 11 LYS H 1 15 CYS H 3.500 . 3.500 3.120 2.675 3.506 0.006 9 0 "[ . 1 . 2]" 1
491 1 11 LYS H 1 16 GLU HA 3.500 . 3.500 3.153 2.867 3.497 . 0 0 "[ . 1 . 2]" 1
492 1 11 LYS H 1 88 LEU QD 5.000 . 7.400 3.978 3.004 5.465 . 0 0 "[ . 1 . 2]" 1
493 1 12 LYS H 1 12 LYS QB 3.500 . 4.100 2.623 2.145 2.850 . 0 0 "[ . 1 . 2]" 1
494 1 12 LYS H 1 12 LYS QD 3.500 . 4.500 3.703 2.018 4.086 . 0 0 "[ . 1 . 2]" 1
495 1 12 LYS H 1 12 LYS QG 2.900 . 3.900 2.014 1.628 2.943 0.172 5 0 "[ . 1 . 2]" 1
496 1 12 LYS QG 1 13 ASN H 2.900 . 3.900 2.142 1.763 2.474 0.037 7 0 "[ . 1 . 2]" 1
497 1 12 LYS H 1 13 ASN H 3.500 . 3.500 2.875 2.853 2.905 . 0 0 "[ . 1 . 2]" 1
498 1 13 ASN HA 1 14 ARG H 3.500 . 3.500 3.052 3.004 3.100 . 0 0 "[ . 1 . 2]" 1
499 1 13 ASN H 1 13 ASN QB 3.500 . 4.100 2.236 2.058 2.756 . 0 0 "[ . 1 . 2]" 1
500 1 13 ASN QB 1 14 ARG H 5.000 . 6.000 3.680 3.618 3.742 . 0 0 "[ . 1 . 2]" 1
501 1 13 ASN H 1 14 ARG H 2.900 . 2.900 2.892 2.833 2.910 0.010 9 0 "[ . 1 . 2]" 1
502 1 13 ASN H 1 15 CYS H 3.500 . 3.500 3.478 3.339 3.514 0.014 16 0 "[ . 1 . 2]" 1
503 1 14 ARG H 1 14 ARG HA 2.900 . 2.900 2.297 2.295 2.301 . 0 0 "[ . 1 . 2]" 1
504 1 14 ARG HA 1 15 CYS H 3.500 . 3.500 3.000 2.903 3.092 . 0 0 "[ . 1 . 2]" 1
505 1 14 ARG H 1 14 ARG QB 3.500 . 4.100 3.169 2.921 3.428 . 0 0 "[ . 1 . 2]" 1
506 1 14 ARG QB 1 15 CYS H 3.500 . 4.500 3.735 3.644 3.820 . 0 0 "[ . 1 . 2]" 1
507 1 14 ARG H 1 14 ARG QG 3.500 . 4.500 3.109 2.357 4.028 . 0 0 "[ . 1 . 2]" 1
508 1 14 ARG QG 1 15 CYS H 5.000 . 6.000 4.458 4.184 4.804 . 0 0 "[ . 1 . 2]" 1
509 1 14 ARG H 1 15 CYS H 2.900 . 2.900 2.638 2.557 2.728 . 0 0 "[ . 1 . 2]" 1
510 1 15 CYS H 1 15 CYS HA 2.900 . 2.900 2.941 2.927 2.955 0.055 16 0 "[ . 1 . 2]" 1
511 1 15 CYS HA 1 16 GLU H 2.900 . 2.900 2.481 2.476 2.488 . 0 0 "[ . 1 . 2]" 1
512 1 15 CYS H 1 15 CYS QB 2.900 . 3.500 2.264 2.181 2.404 . 0 0 "[ . 1 . 2]" 1
513 1 15 CYS QB 1 16 GLU H 2.900 . 3.900 2.623 2.287 3.196 . 0 0 "[ . 1 . 2]" 1
514 1 15 CYS H 1 16 GLU H 5.000 . 5.000 4.522 4.473 4.547 . 0 0 "[ . 1 . 2]" 1
515 1 16 GLU H 1 16 GLU HA 2.900 . 2.900 2.950 2.941 2.953 0.053 10 0 "[ . 1 . 2]" 1
516 1 16 GLU HA 1 17 VAL H 2.900 . 2.900 2.226 2.172 2.302 . 0 0 "[ . 1 . 2]" 1
517 1 16 GLU H 1 16 GLU QB 2.900 . 3.500 2.807 2.516 3.065 . 0 0 "[ . 1 . 2]" 1
518 1 16 GLU QB 1 17 VAL H 2.900 . 3.900 2.905 2.646 3.187 . 0 0 "[ . 1 . 2]" 1
519 1 16 GLU H 1 16 GLU QG 2.900 . 3.900 2.447 1.906 3.262 . 0 0 "[ . 1 . 2]" 1
520 1 16 GLU QG 1 17 VAL H 3.500 . 4.500 3.969 3.869 4.078 . 0 0 "[ . 1 . 2]" 1
521 1 16 GLU H 1 17 VAL H 5.000 . 5.000 4.418 4.279 4.498 . 0 0 "[ . 1 . 2]" 1
522 1 17 VAL H 1 17 VAL HA 2.900 . 2.900 2.910 2.868 2.940 0.040 20 0 "[ . 1 . 2]" 1
523 1 17 VAL HA 1 18 ASN H 2.900 . 2.900 2.456 2.162 2.501 . 0 0 "[ . 1 . 2]" 1
524 1 17 VAL HB 1 18 ASN H 3.500 . 3.500 2.551 2.238 3.577 0.077 8 0 "[ . 1 . 2]" 1
525 1 17 VAL H 1 17 VAL QG 2.900 . 4.600 2.235 2.058 2.371 . 0 0 "[ . 1 . 2]" 1
526 1 17 VAL QG 1 18 ASN H 5.000 . 7.400 2.757 1.508 3.449 0.292 16 0 "[ . 1 . 2]" 1
527 1 17 VAL QG 1 22 ALA H 3.500 . 5.900 4.192 3.070 4.461 . 0 0 "[ . 1 . 2]" 1
528 1 18 ASN H 1 18 ASN HA 2.900 . 2.900 2.901 2.686 2.936 0.036 19 0 "[ . 1 . 2]" 1
529 1 18 ASN HA 1 19 ALA H 2.900 . 2.900 2.180 2.140 2.215 . 0 0 "[ . 1 . 2]" 1
530 1 18 ASN H 1 18 ASN QB 3.500 . 4.100 2.306 2.146 2.825 . 0 0 "[ . 1 . 2]" 1
531 1 19 ALA HA 1 20 ASN H 5.000 . 5.000 3.468 3.462 3.476 . 0 0 "[ . 1 . 2]" 1
532 1 19 ALA HA 1 21 GLU H 5.000 . 5.000 4.538 4.399 4.692 . 0 0 "[ . 1 . 2]" 1
533 1 19 ALA HA 1 22 ALA H 3.500 . 3.500 3.309 3.128 3.508 0.008 20 0 "[ . 1 . 2]" 1
534 1 19 ALA H 1 19 ALA MB 2.900 . 4.000 2.082 2.034 2.249 . 0 0 "[ . 1 . 2]" 1
535 1 19 ALA MB 1 20 ASN H 3.500 . 5.000 2.945 2.862 2.968 . 0 0 "[ . 1 . 2]" 1
536 1 19 ALA H 1 20 ASN QB 5.000 . 6.000 4.561 4.413 4.629 . 0 0 "[ . 1 . 2]" 1
537 1 19 ALA H 1 20 ASN H 5.000 . 5.000 2.884 2.735 2.942 . 0 0 "[ . 1 . 2]" 1
538 1 20 ASN H 1 20 ASN QB 2.900 . 3.500 2.063 2.044 2.109 . 0 0 "[ . 1 . 2]" 1
539 1 20 ASN QB 1 21 GLU H 2.900 . 3.900 2.340 2.090 2.400 . 0 0 "[ . 1 . 2]" 1
540 1 20 ASN QB 1 22 ALA H 3.500 . 4.500 4.091 3.965 4.125 . 0 0 "[ . 1 . 2]" 1
541 1 20 ASN H 1 21 GLU H 2.900 . 2.900 2.959 2.931 2.996 0.096 11 0 "[ . 1 . 2]" 1
542 1 20 ASN H 1 22 ALA H 5.000 . 5.000 3.723 3.668 3.805 . 0 0 "[ . 1 . 2]" 1
543 1 21 GLU H 1 21 GLU HA 2.900 . 2.900 2.932 2.917 2.935 0.035 20 0 "[ . 1 . 2]" 1
544 1 21 GLU HA 1 24 LYS H 5.000 . 5.000 3.889 3.352 4.395 . 0 0 "[ . 1 . 2]" 1
545 1 21 GLU H 1 21 GLU QB 2.900 . 3.500 2.655 2.472 2.910 . 0 0 "[ . 1 . 2]" 1
546 1 21 GLU QB 1 22 ALA H 2.900 . 3.900 3.123 2.825 3.574 . 0 0 "[ . 1 . 2]" 1
547 1 21 GLU H 1 21 GLU QG 2.900 . 3.900 2.161 1.688 2.532 0.112 8 0 "[ . 1 . 2]" 1
548 1 21 GLU QG 1 22 ALA H 3.500 . 4.500 3.270 1.949 4.037 . 0 0 "[ . 1 . 2]" 1
549 1 21 GLU H 1 22 ALA MB 3.500 . 5.000 3.749 3.695 3.852 . 0 0 "[ . 1 . 2]" 1
550 1 21 GLU H 1 22 ALA H 2.900 . 2.900 2.149 2.116 2.261 . 0 0 "[ . 1 . 2]" 1
551 1 22 ALA H 1 22 ALA HA 2.900 . 2.900 2.822 2.792 2.846 . 0 0 "[ . 1 . 2]" 1
552 1 22 ALA HA 1 23 LEU H 3.500 . 3.500 3.499 3.342 3.554 0.054 6 0 "[ . 1 . 2]" 1
553 1 22 ALA H 1 22 ALA MB 2.900 . 4.000 2.051 2.019 2.156 . 0 0 "[ . 1 . 2]" 1
554 1 22 ALA MB 1 23 LEU H 2.900 . 4.400 2.793 2.374 3.228 . 0 0 "[ . 1 . 2]" 1
555 1 22 ALA H 1 23 LEU H 2.900 . 2.900 2.649 2.545 2.821 . 0 0 "[ . 1 . 2]" 1
556 1 23 LEU HA 1 24 LYS H 5.000 . 5.000 3.217 2.996 3.405 . 0 0 "[ . 1 . 2]" 1
557 1 23 LEU H 1 23 LEU QB 2.900 . 3.500 2.180 2.066 2.312 . 0 0 "[ . 1 . 2]" 1
558 1 23 LEU H 1 24 LYS H 2.900 . 2.900 2.713 2.207 2.937 0.037 17 0 "[ . 1 . 2]" 1
559 1 24 LYS H 1 24 LYS QB 3.500 . 4.100 2.597 2.380 3.186 . 0 0 "[ . 1 . 2]" 1
560 1 25 ASP HA 1 28 ILE H 3.500 . 3.500 3.569 3.539 3.591 0.091 18 0 "[ . 1 . 2]" 1
561 1 27 ASP HA 1 117 LYS H 5.000 . 5.000 3.846 3.379 4.357 . 0 0 "[ . 1 . 2]" 1
562 1 27 ASP HA 1 28 ILE H 5.000 . 5.000 3.384 3.153 3.587 . 0 0 "[ . 1 . 2]" 1
563 1 27 ASP QB 1 28 ILE H 3.500 . 4.500 3.023 1.885 3.947 . 0 0 "[ . 1 . 2]" 1
564 1 28 ILE HA 1 117 LYS H 5.000 . 5.000 2.450 1.994 3.110 . 0 0 "[ . 1 . 2]" 1
565 1 28 ILE HA 1 29 ILE H 2.900 . 2.900 2.305 2.255 2.337 . 0 0 "[ . 1 . 2]" 1
566 1 28 ILE H 1 28 ILE HB 2.900 . 2.900 2.682 2.603 2.760 . 0 0 "[ . 1 . 2]" 1
567 1 28 ILE HB 1 29 ILE H 5.000 . 5.000 3.895 3.834 4.022 . 0 0 "[ . 1 . 2]" 1
568 1 28 ILE H 1 28 ILE MD 5.000 . 6.500 4.550 4.514 4.569 . 0 0 "[ . 1 . 2]" 1
569 1 28 ILE H 1 28 ILE HG13 3.500 . 3.500 3.522 3.455 3.571 0.071 7 0 "[ . 1 . 2]" 1
570 1 28 ILE H 1 28 ILE HG12 3.500 . 3.500 3.543 3.515 3.567 0.067 15 0 "[ . 1 . 2]" 1
571 1 28 ILE HG12 1 29 ILE H 5.000 . 5.000 4.192 4.110 4.287 . 0 0 "[ . 1 . 2]" 1
572 1 28 ILE H 1 28 ILE MG 3.500 . 5.000 3.835 3.803 3.874 . 0 0 "[ . 1 . 2]" 1
573 1 28 ILE MG 1 29 ILE H 2.900 . 4.400 2.050 1.989 2.247 . 0 0 "[ . 1 . 2]" 1
574 1 28 ILE H 1 29 ILE MD 5.000 . 6.500 4.076 3.419 5.312 . 0 0 "[ . 1 . 2]" 1
575 1 28 ILE H 1 29 ILE H 5.000 . 5.000 4.415 4.345 4.462 . 0 0 "[ . 1 . 2]" 1
576 1 28 ILE H 1 62 PHE HA 3.500 . 3.500 2.646 2.476 2.806 . 0 0 "[ . 1 . 2]" 1
577 1 28 ILE H 1 62 PHE QD 5.000 . 7.000 5.336 5.064 5.614 . 0 0 "[ . 1 . 2]" 1
578 1 29 ILE HA 1 30 GLY H 2.900 . 2.900 2.274 2.210 2.348 . 0 0 "[ . 1 . 2]" 1
579 1 29 ILE HA 1 63 GLU H 3.500 . 3.500 2.379 2.258 2.625 . 0 0 "[ . 1 . 2]" 1
580 1 29 ILE H 1 29 ILE HB 2.900 . 2.900 2.636 2.516 2.949 0.049 7 0 "[ . 1 . 2]" 1
581 1 29 ILE HB 1 30 GLY H 5.000 . 5.000 4.077 3.315 4.297 . 0 0 "[ . 1 . 2]" 1
582 1 29 ILE MD 1 117 LYS H 5.000 . 6.500 3.796 3.213 4.280 . 0 0 "[ . 1 . 2]" 1
583 1 29 ILE H 1 29 ILE MD 5.000 . 6.500 3.456 2.682 4.163 . 0 0 "[ . 1 . 2]" 1
584 1 29 ILE MD 1 30 GLY H 5.000 . 6.500 4.698 3.888 4.909 . 0 0 "[ . 1 . 2]" 1
585 1 29 ILE MD 1 63 GLU H 5.000 . 6.500 4.025 3.091 4.617 . 0 0 "[ . 1 . 2]" 1
586 1 29 ILE HG13 1 30 GLY H 5.000 . 5.000 3.836 3.333 5.096 0.096 7 0 "[ . 1 . 2]" 1
587 1 29 ILE HG12 1 30 GLY H 5.000 . 5.000 4.016 3.181 5.012 0.012 7 0 "[ . 1 . 2]" 1
588 1 29 ILE MG 1 30 GLY H 2.900 . 4.400 2.045 1.753 2.350 0.047 4 0 "[ . 1 . 2]" 1
589 1 29 ILE MG 1 63 GLU H 5.000 . 6.500 4.344 3.670 4.661 . 0 0 "[ . 1 . 2]" 1
590 1 29 ILE MG 1 65 ILE H 5.000 . 6.500 3.737 3.328 4.046 . 0 0 "[ . 1 . 2]" 1
591 1 29 ILE H 1 115 VAL H 3.500 . 3.500 3.475 3.241 3.554 0.054 17 0 "[ . 1 . 2]" 1
592 1 29 ILE H 1 116 LYS HA 5.000 . 5.000 3.081 2.862 3.254 . 0 0 "[ . 1 . 2]" 1
593 1 29 ILE H 1 30 GLY H 5.000 . 5.000 4.408 4.344 4.472 . 0 0 "[ . 1 . 2]" 1
594 1 29 ILE H 1 63 GLU H 5.000 . 5.000 4.655 4.456 4.857 . 0 0 "[ . 1 . 2]" 1
595 1 30 GLY QA 1 115 VAL H 5.000 . 6.000 3.191 2.876 3.439 . 0 0 "[ . 1 . 2]" 1
596 1 30 GLY QA 1 31 PHE H 2.900 . 3.900 2.157 2.116 2.203 . 0 0 "[ . 1 . 2]" 1
597 1 30 GLY H 1 31 PHE H 5.000 . 5.000 4.263 4.039 4.446 . 0 0 "[ . 1 . 2]" 1
598 1 30 GLY H 1 62 PHE QE 5.000 . 7.000 4.246 3.359 4.927 . 0 0 "[ . 1 . 2]" 1
599 1 30 GLY H 1 63 GLU H 5.000 . 5.000 3.881 3.738 4.037 . 0 0 "[ . 1 . 2]" 1
600 1 30 GLY H 1 64 ILE HA 2.900 . 2.900 2.833 2.585 2.934 0.034 20 0 "[ . 1 . 2]" 1
601 1 30 GLY H 1 64 ILE MD 5.000 . 6.500 3.798 3.133 5.149 . 0 0 "[ . 1 . 2]" 1
602 1 30 GLY H 1 65 ILE H 3.500 . 3.500 3.514 3.502 3.532 0.032 10 0 "[ . 1 . 2]" 1
603 1 31 PHE HA 1 32 TYR H 2.900 . 2.900 2.152 2.138 2.162 . 0 0 "[ . 1 . 2]" 1
604 1 31 PHE HA 1 65 ILE H 3.500 . 3.500 2.814 2.610 3.025 . 0 0 "[ . 1 . 2]" 1
605 1 31 PHE QB 1 113 VAL H 5.000 . 6.000 2.963 2.471 3.345 . 0 0 "[ . 1 . 2]" 1
606 1 31 PHE H 1 31 PHE QB 3.500 . 4.100 2.427 2.271 2.589 . 0 0 "[ . 1 . 2]" 1
607 1 31 PHE QB 1 32 TYR H 2.900 . 3.900 3.361 3.211 3.457 . 0 0 "[ . 1 . 2]" 1
608 1 31 PHE H 1 31 PHE QD 3.500 . 5.500 2.537 1.903 3.211 . 0 0 "[ . 1 . 2]" 1
609 1 31 PHE QD 1 32 TYR H 5.000 . 7.000 4.233 3.989 4.478 . 0 0 "[ . 1 . 2]" 1
610 1 31 PHE QD 1 65 ILE H 5.000 . 7.000 4.697 4.525 4.881 . 0 0 "[ . 1 . 2]" 1
611 1 31 PHE H 1 31 PHE QE 5.000 . 7.000 4.696 4.168 5.247 . 0 0 "[ . 1 . 2]" 1
612 1 31 PHE QE 1 32 TYR H 5.000 . 7.000 6.118 5.916 6.327 . 0 0 "[ . 1 . 2]" 1
613 1 31 PHE H 1 112 LEU QD 3.500 . 5.900 3.056 2.113 3.689 . 0 0 "[ . 1 . 2]" 1
614 1 31 PHE H 1 113 VAL HB 5.000 . 5.000 3.833 3.259 4.173 . 0 0 "[ . 1 . 2]" 1
615 1 31 PHE H 1 113 VAL QG 5.000 . 7.400 3.264 2.666 3.816 . 0 0 "[ . 1 . 2]" 1
616 1 31 PHE H 1 113 VAL H 3.500 . 3.500 3.416 3.069 3.536 0.036 16 0 "[ . 1 . 2]" 1
617 1 31 PHE H 1 114 ILE HA 5.000 . 5.000 3.235 2.828 3.542 . 0 0 "[ . 1 . 2]" 1
618 1 31 PHE H 1 114 ILE MD 5.000 . 6.500 2.767 2.217 3.430 . 0 0 "[ . 1 . 2]" 1
619 1 31 PHE H 1 32 TYR H 5.000 . 5.000 4.345 4.095 4.501 . 0 0 "[ . 1 . 2]" 1
620 1 32 TYR HA 1 113 VAL H 5.000 . 5.000 3.656 3.424 3.867 . 0 0 "[ . 1 . 2]" 1
621 1 32 TYR HA 1 33 PHE H 2.900 . 2.900 2.172 2.160 2.187 . 0 0 "[ . 1 . 2]" 1
622 1 32 TYR H 1 32 TYR QB 3.500 . 4.100 2.373 2.272 2.412 . 0 0 "[ . 1 . 2]" 1
623 1 32 TYR QB 1 33 PHE H 5.000 . 6.000 3.805 3.590 3.878 . 0 0 "[ . 1 . 2]" 1
624 1 32 TYR QB 1 67 VAL H 5.000 . 6.000 3.632 3.279 4.404 . 0 0 "[ . 1 . 2]" 1
625 1 32 TYR H 1 64 ILE MG 5.000 . 6.500 3.946 3.664 4.198 . 0 0 "[ . 1 . 2]" 1
626 1 32 TYR H 1 65 ILE HG13 5.000 . 5.000 4.994 4.896 5.024 0.024 7 0 "[ . 1 . 2]" 1
627 1 32 TYR H 1 65 ILE H 5.000 . 5.000 3.494 3.369 3.610 . 0 0 "[ . 1 . 2]" 1
628 1 32 TYR H 1 66 PHE HA 5.000 . 5.000 4.025 3.879 4.175 . 0 0 "[ . 1 . 2]" 1
629 1 32 TYR H 1 67 VAL QG 5.000 . 7.400 3.156 2.624 3.711 . 0 0 "[ . 1 . 2]" 1
630 1 32 TYR H 1 67 VAL H 5.000 . 5.000 3.917 3.547 4.283 . 0 0 "[ . 1 . 2]" 1
631 1 33 PHE HA 1 34 SER H 2.900 . 2.900 2.145 2.122 2.168 . 0 0 "[ . 1 . 2]" 1
632 1 33 PHE HA 1 67 VAL H 5.000 . 5.000 4.219 3.940 4.505 . 0 0 "[ . 1 . 2]" 1
633 1 33 PHE QB 1 111 ALA H 3.500 . 4.500 2.842 2.596 3.020 . 0 0 "[ . 1 . 2]" 1
634 1 33 PHE H 1 33 PHE QB 3.500 . 4.100 2.598 2.549 2.684 . 0 0 "[ . 1 . 2]" 1
635 1 33 PHE QB 1 34 SER H 5.000 . 6.000 3.426 3.320 3.523 . 0 0 "[ . 1 . 2]" 1
636 1 33 PHE QD 1 111 ALA H 5.000 . 7.000 4.355 4.126 4.742 . 0 0 "[ . 1 . 2]" 1
637 1 33 PHE H 1 33 PHE QD 2.900 . 4.900 3.178 1.901 3.584 . 0 0 "[ . 1 . 2]" 1
638 1 33 PHE QD 1 34 SER H 5.000 . 7.000 4.099 3.877 4.772 . 0 0 "[ . 1 . 2]" 1
639 1 33 PHE QE 1 113 VAL H 5.000 . 7.000 3.610 2.632 4.540 . 0 0 "[ . 1 . 2]" 1
640 1 33 PHE H 1 33 PHE QE 5.000 . 7.000 4.760 4.122 5.044 . 0 0 "[ . 1 . 2]" 1
641 1 33 PHE H 1 109 ILE MG 5.000 . 6.500 3.989 3.843 4.231 . 0 0 "[ . 1 . 2]" 1
642 1 33 PHE H 1 111 ALA MB 5.000 . 6.500 4.460 4.306 4.621 . 0 0 "[ . 1 . 2]" 1
643 1 33 PHE H 1 111 ALA H 3.500 . 3.500 3.474 3.360 3.539 0.039 20 0 "[ . 1 . 2]" 1
644 1 33 PHE H 1 112 LEU HA 5.000 . 5.000 3.163 2.976 3.377 . 0 0 "[ . 1 . 2]" 1
645 1 33 PHE H 1 112 LEU QD 5.000 . 7.400 4.451 3.941 4.685 . 0 0 "[ . 1 . 2]" 1
646 1 33 PHE H 1 113 VAL H 5.000 . 5.000 4.337 4.172 4.582 . 0 0 "[ . 1 . 2]" 1
647 1 33 PHE H 1 34 SER H 5.000 . 5.000 4.222 4.122 4.311 . 0 0 "[ . 1 . 2]" 1
648 1 33 PHE HZ 1 113 VAL H 5.000 . 5.000 5.049 5.017 5.074 0.074 2 0 "[ . 1 . 2]" 1
649 1 34 SER H 1 34 SER QB 3.500 . 4.100 3.311 3.046 3.533 . 0 0 "[ . 1 . 2]" 1
650 1 34 SER H 1 67 VAL HB 5.000 . 5.000 4.704 4.310 5.058 0.058 15 0 "[ . 1 . 2]" 1
651 1 34 SER H 1 109 ILE MG 5.000 . 6.500 3.340 3.180 3.515 . 0 0 "[ . 1 . 2]" 1
652 1 34 SER H 1 35 ALA HA 5.000 . 5.000 4.128 4.006 4.288 . 0 0 "[ . 1 . 2]" 1
653 1 34 SER H 1 67 VAL H 5.000 . 5.000 4.932 4.632 5.020 0.020 16 0 "[ . 1 . 2]" 1
654 1 34 SER H 1 68 SER HA 5.000 . 5.000 3.738 3.365 3.989 . 0 0 "[ . 1 . 2]" 1
655 1 34 SER H 1 68 SER H 5.000 . 5.000 4.632 4.290 4.949 . 0 0 "[ . 1 . 2]" 1
656 1 34 SER H 1 69 SER H 5.000 . 5.000 4.888 4.590 5.003 0.003 20 0 "[ . 1 . 2]" 1
657 1 35 ALA HA 1 36 HIS H 3.500 . 3.500 2.985 2.150 3.554 0.054 15 0 "[ . 1 . 2]" 1
658 1 35 ALA HA 1 37 TRP H 3.500 . 3.500 3.310 2.904 3.566 0.066 17 0 "[ . 1 . 2]" 1
659 1 35 ALA HA 1 38 CYS H 5.000 . 5.000 4.725 4.330 5.008 0.008 7 0 "[ . 1 . 2]" 1
660 1 35 ALA HA 1 69 SER H 5.000 . 5.000 4.597 4.158 4.881 . 0 0 "[ . 1 . 2]" 1
661 1 35 ALA HA 1 70 ASP H 5.000 . 5.000 4.718 4.197 5.027 0.027 5 0 "[ . 1 . 2]" 1
662 1 35 ALA MB 1 36 HIS H 3.500 . 5.000 3.063 2.052 3.709 . 0 0 "[ . 1 . 2]" 1
663 1 35 ALA MB 1 37 TRP HE1 2.900 . 4.400 3.397 3.197 3.544 . 0 0 "[ . 1 . 2]" 1
664 1 35 ALA MB 1 37 TRP H 2.900 . 4.400 2.860 2.344 3.352 . 0 0 "[ . 1 . 2]" 1
665 1 35 ALA MB 1 38 CYS H 3.500 . 5.000 2.939 1.939 3.924 . 0 0 "[ . 1 . 2]" 1
666 1 35 ALA MB 1 69 SER H 3.500 . 5.000 2.916 2.356 3.602 . 0 0 "[ . 1 . 2]" 1
667 1 35 ALA MB 1 70 ASP H 5.000 . 6.500 3.795 3.269 4.344 . 0 0 "[ . 1 . 2]" 1
668 1 36 HIS HA 1 37 TRP H 5.000 . 5.000 3.236 3.013 3.515 . 0 0 "[ . 1 . 2]" 1
669 1 36 HIS HA 1 38 CYS H 5.000 . 5.000 4.494 3.835 4.986 . 0 0 "[ . 1 . 2]" 1
670 1 36 HIS H 1 36 HIS QB 3.500 . 4.100 2.569 2.114 3.109 . 0 0 "[ . 1 . 2]" 1
671 1 36 HIS QB 1 37 TRP H 3.500 . 4.500 3.523 2.973 4.022 . 0 0 "[ . 1 . 2]" 1
672 1 36 HIS H 1 37 TRP H 3.500 . 3.500 2.958 2.440 3.181 . 0 0 "[ . 1 . 2]" 1
673 1 37 TRP H 1 37 TRP HA 2.900 . 2.900 2.916 2.874 2.952 0.052 13 0 "[ . 1 . 2]" 1
674 1 37 TRP HA 1 38 CYS H 5.000 . 5.000 3.557 3.530 3.583 . 0 0 "[ . 1 . 2]" 1
675 1 37 TRP H 1 37 TRP QB 3.500 . 4.100 2.407 2.321 2.828 . 0 0 "[ . 1 . 2]" 1
676 1 37 TRP H 1 37 TRP HD1 2.900 . 2.900 2.969 2.929 3.013 0.113 12 0 "[ . 1 . 2]" 1
677 1 37 TRP HD1 1 71 ARG H 5.000 . 5.000 5.052 5.013 5.077 0.077 4 0 "[ . 1 . 2]" 1
678 1 37 TRP H 1 37 TRP HE1 5.000 . 5.000 4.946 4.463 5.062 0.062 4 0 "[ . 1 . 2]" 1
679 1 37 TRP HE1 1 69 SER QB 5.000 . 6.000 4.162 3.763 4.942 . 0 0 "[ . 1 . 2]" 1
680 1 37 TRP HE1 1 70 ASP HA 2.900 . 2.900 2.737 2.042 2.907 0.007 9 0 "[ . 1 . 2]" 1
681 1 37 TRP HE1 1 71 ARG QG 5.000 . 6.000 3.864 2.895 5.203 . 0 0 "[ . 1 . 2]" 1
682 1 37 TRP HE1 1 72 SER HA 5.000 . 5.000 5.071 5.043 5.099 0.099 16 0 "[ . 1 . 2]" 1
683 1 37 TRP H 1 38 CYS H 3.500 . 3.500 2.354 2.037 2.480 . 0 0 "[ . 1 . 2]" 1
684 1 37 TRP HZ2 1 38 CYS H 5.000 . 5.000 5.015 5.006 5.023 0.023 3 0 "[ . 1 . 2]" 1
685 1 38 CYS H 1 38 CYS QB 2.900 . 3.500 2.184 2.062 2.951 . 0 0 "[ . 1 . 2]" 1
686 1 42 ARG HA 1 45 THR H 5.000 . 5.000 3.869 3.684 4.072 . 0 0 "[ . 1 . 2]" 1
687 1 42 ARG QB 1 43 GLY H 5.000 . 6.000 2.986 2.728 3.487 . 0 0 "[ . 1 . 2]" 1
688 1 43 GLY QA 1 44 PHE H 3.500 . 4.500 2.767 2.756 2.793 . 0 0 "[ . 1 . 2]" 1
689 1 44 PHE HA 1 45 THR H 5.000 . 5.000 3.510 3.361 3.558 . 0 0 "[ . 1 . 2]" 1
690 1 44 PHE H 1 44 PHE QB 3.500 . 4.100 2.270 2.161 2.323 . 0 0 "[ . 1 . 2]" 1
691 1 44 PHE QB 1 45 THR H 5.000 . 6.000 2.565 2.206 3.229 . 0 0 "[ . 1 . 2]" 1
692 1 44 PHE H 1 44 PHE QD 5.000 . 7.000 4.140 3.686 4.221 . 0 0 "[ . 1 . 2]" 1
693 1 44 PHE QD 1 45 THR H 5.000 . 7.000 3.684 2.825 4.708 . 0 0 "[ . 1 . 2]" 1
694 1 44 PHE QE 1 130 VAL H 5.000 . 7.000 6.215 5.371 6.538 . 0 0 "[ . 1 . 2]" 1
695 1 44 PHE QE 1 131 GLN H 3.500 . 5.500 4.684 3.701 5.257 . 0 0 "[ . 1 . 2]" 1
696 1 44 PHE H 1 45 THR H 3.500 . 3.500 2.390 2.255 2.598 . 0 0 "[ . 1 . 2]" 1
697 1 44 PHE HZ 1 131 GLN H 5.000 . 5.000 4.597 4.092 5.030 0.030 14 0 "[ . 1 . 2]" 1
698 1 45 THR H 1 45 THR HA 2.900 . 2.900 2.772 2.726 2.854 . 0 0 "[ . 1 . 2]" 1
699 1 45 THR HA 1 47 ILE H 3.500 . 3.500 3.566 3.522 3.633 0.133 10 0 "[ . 1 . 2]" 1
700 1 45 THR HA 1 48 LEU H 3.500 . 3.500 3.317 3.129 3.505 0.005 10 0 "[ . 1 . 2]" 1
701 1 45 THR HA 1 49 ALA H 5.000 . 5.000 4.220 4.012 4.639 . 0 0 "[ . 1 . 2]" 1
702 1 45 THR H 1 45 THR HB 3.500 . 3.500 2.332 2.210 3.167 . 0 0 "[ . 1 . 2]" 1
703 1 45 THR MG 1 83 SER H 5.000 . 6.500 5.453 5.305 5.498 . 0 0 "[ . 1 . 2]" 1
704 1 45 THR MG 1 84 HIS H 5.000 . 6.500 4.583 4.385 4.784 . 0 0 "[ . 1 . 2]" 1
705 1 46 PRO HA 1 47 ILE H 5.000 . 5.000 3.413 3.393 3.440 . 0 0 "[ . 1 . 2]" 1
706 1 46 PRO HA 1 49 ALA H 3.500 . 3.500 3.555 3.517 3.583 0.083 17 0 "[ . 1 . 2]" 1
707 1 46 PRO QB 1 47 ILE H 5.000 . 6.000 3.388 3.077 3.509 . 0 0 "[ . 1 . 2]" 1
708 1 46 PRO QG 1 47 ILE H 5.000 . 6.000 3.422 3.206 4.034 . 0 0 "[ . 1 . 2]" 1
709 1 47 ILE H 1 47 ILE HA 2.900 . 2.900 2.910 2.897 2.922 0.022 6 0 "[ . 1 . 2]" 1
710 1 47 ILE HA 1 50 ASP H 3.500 . 3.500 3.478 3.405 3.519 0.019 19 0 "[ . 1 . 2]" 1
711 1 47 ILE H 1 47 ILE HB 2.900 . 2.900 2.545 2.455 2.593 . 0 0 "[ . 1 . 2]" 1
712 1 47 ILE HB 1 48 LEU H 2.900 . 2.900 2.430 2.243 2.647 . 0 0 "[ . 1 . 2]" 1
713 1 47 ILE H 1 47 ILE MD 3.500 . 5.000 3.960 3.883 4.137 . 0 0 "[ . 1 . 2]" 1
714 1 47 ILE H 1 47 ILE HG13 3.500 . 3.500 2.488 2.351 2.897 . 0 0 "[ . 1 . 2]" 1
715 1 47 ILE H 1 47 ILE HG12 2.900 . 2.900 2.918 2.892 2.941 0.041 10 0 "[ . 1 . 2]" 1
716 1 47 ILE H 1 47 ILE MG 2.900 . 4.400 3.773 3.758 3.787 . 0 0 "[ . 1 . 2]" 1
717 1 47 ILE MG 1 48 LEU H 2.900 . 4.400 3.472 3.150 3.652 . 0 0 "[ . 1 . 2]" 1
718 1 47 ILE H 1 48 LEU H 2.900 . 2.900 2.392 2.290 2.471 . 0 0 "[ . 1 . 2]" 1
719 1 47 ILE H 1 49 ALA H 5.000 . 5.000 3.531 3.303 3.780 . 0 0 "[ . 1 . 2]" 1
720 1 48 LEU H 1 48 LEU HA 2.900 . 2.900 2.846 2.831 2.858 . 0 0 "[ . 1 . 2]" 1
721 1 48 LEU HA 1 49 ALA H 3.500 . 3.500 3.503 3.451 3.523 0.023 14 0 "[ . 1 . 2]" 1
722 1 48 LEU HA 1 51 MET H 3.500 . 3.500 3.101 2.981 3.158 . 0 0 "[ . 1 . 2]" 1
723 1 48 LEU H 1 48 LEU QB 2.900 . 3.500 2.050 2.039 2.057 . 0 0 "[ . 1 . 2]" 1
724 1 48 LEU QB 1 49 ALA H 2.900 . 3.900 3.224 3.147 3.336 . 0 0 "[ . 1 . 2]" 1
725 1 48 LEU QD 1 49 ALA H 3.500 . 5.900 3.379 3.238 3.583 . 0 0 "[ . 1 . 2]" 1
726 1 48 LEU QD 1 51 MET H 3.500 . 5.900 3.869 3.759 3.906 . 0 0 "[ . 1 . 2]" 1
727 1 48 LEU H 1 48 LEU HG 3.500 . 3.500 3.515 3.389 3.594 0.094 13 0 "[ . 1 . 2]" 1
728 1 48 LEU HG 1 49 ALA H 2.900 . 2.900 2.617 2.430 2.909 0.009 6 0 "[ . 1 . 2]" 1
729 1 48 LEU H 1 49 ALA H 2.900 . 2.900 2.523 2.456 2.587 . 0 0 "[ . 1 . 2]" 1
730 1 48 LEU H 1 50 ASP H 5.000 . 5.000 3.993 3.853 4.082 . 0 0 "[ . 1 . 2]" 1
731 1 49 ALA H 1 49 ALA HA 2.900 . 2.900 2.852 2.838 2.877 . 0 0 "[ . 1 . 2]" 1
732 1 49 ALA HA 1 50 ASP H 3.500 . 3.500 3.481 3.421 3.503 0.003 11 0 "[ . 1 . 2]" 1
733 1 49 ALA HA 1 52 TYR H 3.500 . 3.500 3.587 3.544 3.605 0.105 1 0 "[ . 1 . 2]" 1
734 1 49 ALA H 1 49 ALA MB 2.900 . 4.000 2.051 2.032 2.083 . 0 0 "[ . 1 . 2]" 1
735 1 49 ALA MB 1 50 ASP H 2.900 . 4.400 2.893 2.839 3.027 . 0 0 "[ . 1 . 2]" 1
736 1 49 ALA H 1 50 ASP H 2.900 . 2.900 2.515 2.403 2.569 . 0 0 "[ . 1 . 2]" 1
737 1 49 ALA H 1 84 HIS HD2 2.900 . 2.900 2.930 2.911 2.953 0.053 17 0 "[ . 1 . 2]" 1
738 1 50 ASP H 1 50 ASP HA 2.900 . 2.900 2.895 2.889 2.905 0.005 13 0 "[ . 1 . 2]" 1
739 1 50 ASP HA 1 51 MET H 3.500 . 3.500 3.484 3.456 3.533 0.033 3 0 "[ . 1 . 2]" 1
740 1 50 ASP HA 1 53 SER H 3.500 . 3.500 3.534 3.504 3.553 0.053 16 0 "[ . 1 . 2]" 1
741 1 50 ASP H 1 50 ASP QB 2.900 . 3.500 2.200 2.100 2.304 . 0 0 "[ . 1 . 2]" 1
742 1 50 ASP QB 1 51 MET H 2.900 . 3.900 2.825 2.719 2.900 . 0 0 "[ . 1 . 2]" 1
743 1 50 ASP H 1 51 MET H 2.900 . 2.900 2.308 2.256 2.365 . 0 0 "[ . 1 . 2]" 1
744 1 51 MET H 1 51 MET HA 2.900 . 2.900 2.870 2.864 2.875 . 0 0 "[ . 1 . 2]" 1
745 1 51 MET HA 1 52 TYR H 3.500 . 3.500 3.560 3.545 3.567 0.067 5 0 "[ . 1 . 2]" 1
746 1 51 MET HA 1 54 GLU H 3.500 . 3.500 3.550 3.524 3.577 0.077 15 0 "[ . 1 . 2]" 1
747 1 51 MET H 1 51 MET QB 2.900 . 3.500 2.204 2.138 2.422 . 0 0 "[ . 1 . 2]" 1
748 1 51 MET QB 1 52 TYR H 2.900 . 3.900 2.556 2.195 3.423 . 0 0 "[ . 1 . 2]" 1
749 1 51 MET H 1 51 MET ME 5.000 . 6.500 4.777 4.659 4.943 . 0 0 "[ . 1 . 2]" 1
750 1 51 MET H 1 51 MET QG 3.500 . 4.500 3.560 2.327 3.901 . 0 0 "[ . 1 . 2]" 1
751 1 51 MET QG 1 52 TYR H 5.000 . 6.000 3.563 1.612 4.330 0.188 15 0 "[ . 1 . 2]" 1
752 1 51 MET H 1 52 TYR H 2.900 . 2.900 2.603 2.557 2.678 . 0 0 "[ . 1 . 2]" 1
753 1 52 TYR H 1 52 TYR HA 2.900 . 2.900 2.855 2.829 2.883 . 0 0 "[ . 1 . 2]" 1
754 1 52 TYR HA 1 55 LEU H 3.500 . 3.500 3.471 3.335 3.531 0.031 18 0 "[ . 1 . 2]" 1
755 1 52 TYR H 1 52 TYR QB 2.900 . 3.500 2.186 2.144 2.219 . 0 0 "[ . 1 . 2]" 1
756 1 52 TYR QB 1 53 SER H 2.900 . 3.900 3.483 3.419 3.521 . 0 0 "[ . 1 . 2]" 1
757 1 52 TYR H 1 52 TYR QD 3.500 . 5.500 2.351 2.276 2.493 . 0 0 "[ . 1 . 2]" 1
758 1 52 TYR QD 1 53 SER H 2.900 . 4.900 1.663 1.595 1.760 0.205 6 0 "[ . 1 . 2]" 1
759 1 52 TYR H 1 52 TYR QE 3.500 . 5.500 4.712 4.648 4.837 . 0 0 "[ . 1 . 2]" 1
760 1 52 TYR QE 1 53 SER H 5.000 . 7.000 3.350 3.261 3.402 . 0 0 "[ . 1 . 2]" 1
761 1 52 TYR QE 1 83 SER H 3.500 . 5.500 5.155 5.038 5.249 . 0 0 "[ . 1 . 2]" 1
762 1 52 TYR QE 1 84 HIS H 2.900 . 4.900 4.790 4.754 4.841 . 0 0 "[ . 1 . 2]" 1
763 1 52 TYR H 1 53 SER H 2.900 . 2.900 2.509 2.430 2.603 . 0 0 "[ . 1 . 2]" 1
764 1 52 TYR H 1 54 GLU H 5.000 . 5.000 4.257 4.093 4.392 . 0 0 "[ . 1 . 2]" 1
765 1 53 SER HA 1 54 GLU H 3.500 . 3.500 3.547 3.528 3.555 0.055 10 0 "[ . 1 . 2]" 1
766 1 53 SER HA 1 56 VAL H 3.500 . 3.500 3.568 3.555 3.585 0.085 9 0 "[ . 1 . 2]" 1
767 1 53 SER QB 1 54 GLU H 2.900 . 3.900 2.694 2.533 3.342 . 0 0 "[ . 1 . 2]" 1
768 1 53 SER H 1 54 GLU H 2.900 . 2.900 2.594 2.511 2.682 . 0 0 "[ . 1 . 2]" 1
769 1 53 SER H 1 55 LEU H 5.000 . 5.000 4.170 4.014 4.284 . 0 0 "[ . 1 . 2]" 1
770 1 54 GLU HA 1 55 LEU H 3.500 . 3.500 3.553 3.540 3.560 0.060 19 0 "[ . 1 . 2]" 1
771 1 54 GLU HA 1 57 ASP H 3.500 . 3.500 3.487 3.431 3.510 0.010 5 0 "[ . 1 . 2]" 1
772 1 54 GLU H 1 54 GLU QB 2.900 . 3.500 2.261 2.056 2.630 . 0 0 "[ . 1 . 2]" 1
773 1 54 GLU QB 1 55 LEU H 2.900 . 3.900 2.555 2.118 2.893 . 0 0 "[ . 1 . 2]" 1
774 1 54 GLU H 1 54 GLU QG 2.900 . 3.900 2.962 1.903 3.559 . 0 0 "[ . 1 . 2]" 1
775 1 54 GLU QG 1 55 LEU H 2.900 . 3.900 2.694 2.132 3.597 . 0 0 "[ . 1 . 2]" 1
776 1 54 GLU H 1 55 LEU H 2.900 . 2.900 2.649 2.525 2.773 . 0 0 "[ . 1 . 2]" 1
777 1 54 GLU H 1 56 VAL H 5.000 . 5.000 3.879 3.707 4.076 . 0 0 "[ . 1 . 2]" 1
778 1 55 LEU H 1 55 LEU HA 2.900 . 2.900 2.790 2.774 2.803 . 0 0 "[ . 1 . 2]" 1
779 1 55 LEU HA 1 56 VAL H 3.500 . 3.500 3.547 3.536 3.563 0.063 6 0 "[ . 1 . 2]" 1
780 1 55 LEU HA 1 58 ASP H 3.500 . 3.500 3.300 3.211 3.349 . 0 0 "[ . 1 . 2]" 1
781 1 55 LEU H 1 55 LEU QB 2.900 . 3.500 2.136 2.126 2.145 . 0 0 "[ . 1 . 2]" 1
782 1 55 LEU QB 1 56 VAL H 3.500 . 4.500 2.730 2.605 2.821 . 0 0 "[ . 1 . 2]" 1
783 1 55 LEU QD 1 138 PHE H 2.900 . 5.300 3.713 3.601 3.858 . 0 0 "[ . 1 . 2]" 1
784 1 55 LEU H 1 55 LEU QD 2.900 . 4.600 3.435 3.419 3.450 . 0 0 "[ . 1 . 2]" 1
785 1 55 LEU QD 1 60 ALA H 3.500 . 5.900 3.698 3.631 3.782 . 0 0 "[ . 1 . 2]" 1
786 1 56 VAL QG 1 60 ALA H 3.500 . 5.900 3.635 3.548 3.726 . 0 0 "[ . 1 . 2]" 1
787 1 55 LEU H 1 55 LEU HG 2.900 . 2.900 2.945 2.925 2.960 0.060 8 0 "[ . 1 . 2]" 1
788 1 55 LEU H 1 56 VAL H 2.900 . 2.900 2.740 2.712 2.787 . 0 0 "[ . 1 . 2]" 1
789 1 56 VAL H 1 56 VAL HA 2.900 . 2.900 2.816 2.802 2.826 . 0 0 "[ . 1 . 2]" 1
790 1 56 VAL HA 1 57 ASP H 3.500 . 3.500 3.533 3.512 3.542 0.042 13 0 "[ . 1 . 2]" 1
791 1 56 VAL HA 1 58 ASP H 5.000 . 5.000 3.917 3.846 3.971 . 0 0 "[ . 1 . 2]" 1
792 1 56 VAL HA 1 59 SER H 3.500 . 3.500 3.549 3.534 3.565 0.065 6 0 "[ . 1 . 2]" 1
793 1 56 VAL HA 1 60 ALA H 2.900 . 2.900 2.337 2.224 2.481 . 0 0 "[ . 1 . 2]" 1
794 1 56 VAL H 1 56 VAL HB 2.900 . 2.900 2.372 2.285 2.542 . 0 0 "[ . 1 . 2]" 1
795 1 56 VAL HB 1 57 ASP H 3.500 . 3.500 2.517 2.374 2.698 . 0 0 "[ . 1 . 2]" 1
796 1 56 VAL H 1 56 VAL QG 2.900 . 4.600 2.394 2.105 2.561 . 0 0 "[ . 1 . 2]" 1
797 1 56 VAL QG 1 57 ASP H 2.900 . 5.300 2.969 2.743 3.281 . 0 0 "[ . 1 . 2]" 1
798 1 56 VAL QG 1 58 ASP H 5.000 . 7.400 4.228 4.168 4.343 . 0 0 "[ . 1 . 2]" 1
799 1 56 VAL QG 1 59 SER H 5.000 . 7.400 3.824 3.723 3.975 . 0 0 "[ . 1 . 2]" 1
800 1 56 VAL H 1 57 ASP H 2.900 . 2.900 2.712 2.641 2.781 . 0 0 "[ . 1 . 2]" 1
801 1 56 VAL H 1 58 ASP H 5.000 . 5.000 3.849 3.789 3.902 . 0 0 "[ . 1 . 2]" 1
802 1 56 VAL H 1 60 ALA H 5.000 . 5.000 3.972 3.925 4.038 . 0 0 "[ . 1 . 2]" 1
803 1 57 ASP H 1 57 ASP HA 2.900 . 2.900 2.784 2.762 2.830 . 0 0 "[ . 1 . 2]" 1
804 1 57 ASP HA 1 58 ASP H 3.500 . 3.500 3.486 3.464 3.502 0.002 10 0 "[ . 1 . 2]" 1
805 1 57 ASP HA 1 59 SER H 3.500 . 3.500 3.524 3.517 3.535 0.035 6 0 "[ . 1 . 2]" 1
806 1 57 ASP H 1 57 ASP QB 2.900 . 3.500 2.155 2.128 2.192 . 0 0 "[ . 1 . 2]" 1
807 1 57 ASP QB 1 58 ASP H 2.900 . 3.900 2.674 2.614 2.760 . 0 0 "[ . 1 . 2]" 1
808 1 57 ASP H 1 58 ASP H 2.900 . 2.900 2.634 2.490 2.708 . 0 0 "[ . 1 . 2]" 1
809 1 57 ASP H 1 59 SER H 5.000 . 5.000 4.072 4.035 4.093 . 0 0 "[ . 1 . 2]" 1
810 1 58 ASP H 1 58 ASP HA 2.900 . 2.900 2.920 2.916 2.926 0.026 7 0 "[ . 1 . 2]" 1
811 1 58 ASP HA 1 59 SER H 2.900 . 2.900 3.025 3.022 3.029 0.129 20 0 "[ . 1 . 2]" 1
812 1 58 ASP H 1 58 ASP QB 2.900 . 3.500 2.135 2.122 2.154 . 0 0 "[ . 1 . 2]" 1
813 1 58 ASP QB 1 59 SER H 3.500 . 4.500 3.655 3.652 3.659 . 0 0 "[ . 1 . 2]" 1
814 1 58 ASP H 1 59 SER H 2.900 . 2.900 2.678 2.640 2.705 . 0 0 "[ . 1 . 2]" 1
815 1 58 ASP H 1 60 ALA H 3.500 . 3.500 2.994 2.906 3.040 . 0 0 "[ . 1 . 2]" 1
816 1 59 SER H 1 59 SER HA 2.900 . 2.900 2.308 2.305 2.311 . 0 0 "[ . 1 . 2]" 1
817 1 59 SER HA 1 60 ALA H 2.900 . 2.900 2.966 2.940 2.993 0.093 6 0 "[ . 1 . 2]" 1
818 1 59 SER H 1 60 ALA MB 5.000 . 6.500 4.239 4.188 4.263 . 0 0 "[ . 1 . 2]" 1
819 1 59 SER H 1 60 ALA H 2.900 . 2.900 2.385 2.342 2.400 . 0 0 "[ . 1 . 2]" 1
820 1 60 ALA H 1 60 ALA HA 2.900 . 2.900 2.431 2.407 2.458 . 0 0 "[ . 1 . 2]" 1
821 1 60 ALA H 1 60 ALA MB 2.900 . 4.000 2.504 2.466 2.535 . 0 0 "[ . 1 . 2]" 1
822 1 60 ALA MB 1 62 PHE H 3.500 . 5.000 2.819 2.699 2.938 . 0 0 "[ . 1 . 2]" 1
823 1 25 ASP HA 1 62 PHE H 5.000 . 5.000 4.192 3.903 4.498 . 0 0 "[ . 1 . 2]" 1
824 1 60 ALA HA 1 62 PHE H 5.000 . 5.000 3.852 3.691 3.993 . 0 0 "[ . 1 . 2]" 1
825 1 61 PRO HA 1 62 PHE H 2.900 . 2.900 2.902 2.820 2.935 0.035 16 0 "[ . 1 . 2]" 1
826 1 61 PRO QB 1 62 PHE H 5.000 . 6.000 3.918 3.878 4.014 . 0 0 "[ . 1 . 2]" 1
827 1 61 PRO QD 1 62 PHE H 5.000 . 6.000 3.713 3.476 3.840 . 0 0 "[ . 1 . 2]" 1
828 1 62 PHE HA 1 63 GLU H 2.900 . 2.900 2.288 2.212 2.301 . 0 0 "[ . 1 . 2]" 1
829 1 62 PHE H 1 62 PHE QB 2.900 . 3.500 3.115 3.082 3.148 . 0 0 "[ . 1 . 2]" 1
830 1 62 PHE QB 1 63 GLU H 5.000 . 6.000 2.824 2.770 2.984 . 0 0 "[ . 1 . 2]" 1
831 1 62 PHE H 1 62 PHE QD 5.000 . 7.000 2.444 2.164 3.227 . 0 0 "[ . 1 . 2]" 1
832 1 62 PHE QD 1 63 GLU H 3.500 . 5.500 3.555 2.688 3.908 . 0 0 "[ . 1 . 2]" 1
833 1 62 PHE H 1 63 GLU H 5.000 . 5.000 4.291 4.214 4.307 . 0 0 "[ . 1 . 2]" 1
834 1 63 GLU HA 1 64 ILE H 2.900 . 2.900 2.240 2.232 2.253 . 0 0 "[ . 1 . 2]" 1
835 1 63 GLU H 1 63 GLU QB 3.500 . 4.100 2.387 2.243 2.467 . 0 0 "[ . 1 . 2]" 1
836 1 63 GLU QB 1 64 ILE H 5.000 . 6.000 3.314 2.749 3.504 . 0 0 "[ . 1 . 2]" 1
837 1 63 GLU QG 1 64 ILE H 3.500 . 4.500 2.253 1.800 3.779 . 0 0 "[ . 1 . 2]" 1
838 1 64 ILE HA 1 65 ILE H 2.900 . 2.900 2.167 2.147 2.219 . 0 0 "[ . 1 . 2]" 1
839 1 64 ILE H 1 64 ILE HB 3.500 . 3.500 2.274 2.238 2.315 . 0 0 "[ . 1 . 2]" 1
840 1 64 ILE HB 1 65 ILE H 5.000 . 5.000 4.421 4.285 4.499 . 0 0 "[ . 1 . 2]" 1
841 1 64 ILE HB 1 87 TRP H 5.000 . 5.000 4.993 4.905 5.022 0.022 3 0 "[ . 1 . 2]" 1
842 1 64 ILE MD 1 65 ILE H 5.000 . 6.500 4.182 3.878 4.824 . 0 0 "[ . 1 . 2]" 1
843 1 64 ILE H 1 64 ILE HG13 5.000 . 5.000 4.335 3.972 4.478 . 0 0 "[ . 1 . 2]" 1
844 1 64 ILE HG13 1 65 ILE H 3.500 . 3.500 3.258 2.938 3.529 0.029 5 0 "[ . 1 . 2]" 1
845 1 64 ILE MG 1 65 ILE H 2.900 . 4.400 2.745 2.383 2.945 . 0 0 "[ . 1 . 2]" 1
846 1 64 ILE MG 1 66 PHE H 5.000 . 6.500 3.995 3.897 4.061 . 0 0 "[ . 1 . 2]" 1
847 1 64 ILE H 1 87 TRP QB 5.000 . 6.000 2.955 2.805 3.122 . 0 0 "[ . 1 . 2]" 1
848 1 64 ILE H 1 87 TRP HE3 3.500 . 3.500 2.082 2.019 2.132 . 0 0 "[ . 1 . 2]" 1
849 1 64 ILE H 1 87 TRP HH2 5.000 . 5.000 4.677 4.419 4.959 . 0 0 "[ . 1 . 2]" 1
850 1 64 ILE H 1 88 LEU H 5.000 . 5.000 4.485 4.268 4.719 . 0 0 "[ . 1 . 2]" 1
851 1 65 ILE HA 1 66 PHE H 2.900 . 2.900 2.210 2.194 2.222 . 0 0 "[ . 1 . 2]" 1
852 1 65 ILE HA 1 88 LEU H 5.000 . 5.000 4.837 4.582 5.019 0.019 15 0 "[ . 1 . 2]" 1
853 1 65 ILE H 1 65 ILE HB 2.900 . 2.900 2.782 2.627 2.928 0.028 16 0 "[ . 1 . 2]" 1
854 1 65 ILE H 1 65 ILE HG12 3.500 . 3.500 2.015 1.778 2.509 0.022 3 0 "[ . 1 . 2]" 1
855 1 65 ILE MG 1 66 PHE H 3.500 . 5.000 2.491 2.375 2.717 . 0 0 "[ . 1 . 2]" 1
856 1 65 ILE H 1 66 PHE H 5.000 . 5.000 4.531 4.481 4.560 . 0 0 "[ . 1 . 2]" 1
857 1 66 PHE HA 1 67 VAL H 2.900 . 2.900 2.154 2.126 2.198 . 0 0 "[ . 1 . 2]" 1
858 1 66 PHE H 1 66 PHE QB 3.500 . 4.100 2.309 2.209 2.379 . 0 0 "[ . 1 . 2]" 1
859 1 66 PHE QB 1 67 VAL H 5.000 . 6.000 3.780 3.560 3.882 . 0 0 "[ . 1 . 2]" 1
860 1 66 PHE H 1 66 PHE QD 5.000 . 7.000 3.933 3.502 4.228 . 0 0 "[ . 1 . 2]" 1
861 1 66 PHE H 1 89 ALA HA 2.900 . 2.900 2.269 2.182 2.403 . 0 0 "[ . 1 . 2]" 1
862 1 66 PHE H 1 89 ALA MB 5.000 . 6.500 3.495 3.156 3.745 . 0 0 "[ . 1 . 2]" 1
863 1 66 PHE H 1 89 ALA H 5.000 . 5.000 5.045 5.019 5.084 0.084 7 0 "[ . 1 . 2]" 1
864 1 66 PHE H 1 90 ILE H 5.000 . 5.000 2.826 2.618 3.109 . 0 0 "[ . 1 . 2]" 1
865 1 67 VAL HA 1 68 SER H 2.900 . 2.900 2.855 2.269 2.941 0.041 8 0 "[ . 1 . 2]" 1
866 1 67 VAL HA 1 90 ILE H 5.000 . 5.000 4.898 4.672 5.016 0.016 14 0 "[ . 1 . 2]" 1
867 1 67 VAL H 1 67 VAL HB 3.500 . 3.500 3.048 2.829 3.201 . 0 0 "[ . 1 . 2]" 1
868 1 67 VAL HB 1 68 SER H 5.000 . 5.000 2.263 1.903 4.369 . 0 0 "[ . 1 . 2]" 1
869 1 67 VAL H 1 67 VAL QG 3.500 . 5.200 2.374 2.160 2.741 . 0 0 "[ . 1 . 2]" 1
870 1 67 VAL QG 1 68 SER H 3.500 . 5.900 1.898 1.503 3.236 0.297 7 0 "[ . 1 . 2]" 1
871 1 67 VAL QG 1 90 ILE H 5.000 . 7.400 3.859 3.527 4.303 . 0 0 "[ . 1 . 2]" 1
872 1 68 SER HA 1 69 SER H 2.900 . 2.900 2.271 2.266 2.280 . 0 0 "[ . 1 . 2]" 1
873 1 68 SER HA 1 70 ASP H 5.000 . 5.000 4.559 4.483 4.665 . 0 0 "[ . 1 . 2]" 1
874 1 68 SER H 1 68 SER QB 2.900 . 3.500 3.054 2.983 3.141 . 0 0 "[ . 1 . 2]" 1
875 1 68 SER QB 1 69 SER H 3.500 . 4.500 3.217 2.981 3.485 . 0 0 "[ . 1 . 2]" 1
876 1 68 SER QB 1 70 ASP H 5.000 . 6.000 4.268 3.745 4.858 . 0 0 "[ . 1 . 2]" 1
877 1 68 SER H 1 69 SER H 5.000 . 5.000 4.257 4.201 4.305 . 0 0 "[ . 1 . 2]" 1
878 1 69 SER HA 1 70 ASP H 3.500 . 3.500 2.462 2.397 2.513 . 0 0 "[ . 1 . 2]" 1
879 1 69 SER H 1 70 ASP H 5.000 . 5.000 3.850 3.797 3.924 . 0 0 "[ . 1 . 2]" 1
880 1 69 SER H 1 109 ILE MG 5.000 . 6.500 5.145 4.738 5.295 . 0 0 "[ . 1 . 2]" 1
881 1 70 ASP HA 1 71 ARG H 5.000 . 5.000 3.135 3.116 3.152 . 0 0 "[ . 1 . 2]" 1
882 1 70 ASP HA 1 72 SER H 5.000 . 5.000 2.889 2.856 2.912 . 0 0 "[ . 1 . 2]" 1
883 1 70 ASP H 1 70 ASP QB 3.500 . 4.100 2.631 2.451 3.082 . 0 0 "[ . 1 . 2]" 1
884 1 70 ASP QB 1 71 ARG H 5.000 . 6.000 3.564 3.516 3.851 . 0 0 "[ . 1 . 2]" 1
885 1 70 ASP QB 1 72 SER H 2.900 . 3.900 3.580 3.489 3.630 . 0 0 "[ . 1 . 2]" 1
886 1 70 ASP H 1 92 TYR QE 5.000 . 7.000 6.372 6.066 6.521 . 0 0 "[ . 1 . 2]" 1
887 1 71 ARG HA 1 72 SER H 3.500 . 3.500 3.375 3.332 3.398 . 0 0 "[ . 1 . 2]" 1
888 1 71 ARG QB 1 72 SER H 3.500 . 4.500 3.594 3.209 3.832 . 0 0 "[ . 1 . 2]" 1
889 1 71 ARG H 1 72 SER H 5.000 . 5.000 3.019 2.990 3.059 . 0 0 "[ . 1 . 2]" 1
890 1 72 SER H 1 72 SER HA 2.900 . 2.900 2.894 2.881 2.912 0.012 4 0 "[ . 1 . 2]" 1
891 1 72 SER HA 1 73 GLU H 2.900 . 2.900 2.171 2.163 2.188 . 0 0 "[ . 1 . 2]" 1
892 1 72 SER HA 1 74 ASP H 3.500 . 3.500 3.531 3.502 3.563 0.063 5 0 "[ . 1 . 2]" 1
893 1 72 SER H 1 72 SER QB 3.500 . 4.100 2.379 2.103 2.938 . 0 0 "[ . 1 . 2]" 1
894 1 72 SER QB 1 73 GLU H 3.500 . 4.500 3.579 3.491 3.852 . 0 0 "[ . 1 . 2]" 1
895 1 72 SER QB 1 74 ASP H 3.500 . 4.500 3.164 3.008 3.983 . 0 0 "[ . 1 . 2]" 1
896 1 72 SER QB 1 75 ASP H 5.000 . 6.000 1.948 1.836 3.119 . 0 0 "[ . 1 . 2]" 1
897 1 72 SER H 1 73 GLU H 5.000 . 5.000 4.371 4.342 4.388 . 0 0 "[ . 1 . 2]" 1
898 1 72 SER H 1 75 ASP H 5.000 . 5.000 5.075 5.020 5.106 0.106 12 0 "[ . 1 . 2]" 1
899 1 72 SER H 1 92 TYR QE 5.000 . 7.000 5.211 4.653 5.828 . 0 0 "[ . 1 . 2]" 1
900 1 73 GLU HA 1 74 ASP H 5.000 . 5.000 3.477 3.459 3.491 . 0 0 "[ . 1 . 2]" 1
901 1 73 GLU HA 1 76 MET H 3.500 . 3.500 3.544 3.500 3.560 0.060 13 0 "[ . 1 . 2]" 1
902 1 73 GLU H 1 73 GLU QB 2.900 . 3.500 2.505 2.208 2.876 . 0 0 "[ . 1 . 2]" 1
903 1 73 GLU QB 1 74 ASP H 2.900 . 3.900 3.063 2.769 3.557 . 0 0 "[ . 1 . 2]" 1
904 1 73 GLU H 1 74 ASP H 2.900 . 2.900 2.536 2.487 2.601 . 0 0 "[ . 1 . 2]" 1
905 1 73 GLU H 1 92 TYR QD 5.000 . 7.000 6.277 6.126 6.426 . 0 0 "[ . 1 . 2]" 1
906 1 73 GLU H 1 92 TYR QE 5.000 . 7.000 4.710 4.267 5.318 . 0 0 "[ . 1 . 2]" 1
907 1 74 ASP H 1 74 ASP HA 2.900 . 2.900 2.891 2.880 2.897 . 0 0 "[ . 1 . 2]" 1
908 1 74 ASP HA 1 75 ASP H 5.000 . 5.000 3.577 3.555 3.586 . 0 0 "[ . 1 . 2]" 1
909 1 74 ASP HA 1 77 PHE H 3.500 . 3.500 3.590 3.568 3.610 0.110 14 0 "[ . 1 . 2]" 1
910 1 74 ASP H 1 74 ASP QB 2.900 . 3.500 2.447 2.097 2.953 . 0 0 "[ . 1 . 2]" 1
911 1 74 ASP QB 1 75 ASP H 2.900 . 3.900 2.620 2.346 3.376 . 0 0 "[ . 1 . 2]" 1
912 1 74 ASP H 1 75 ASP H 2.900 . 2.900 2.506 2.449 2.546 . 0 0 "[ . 1 . 2]" 1
913 1 74 ASP H 1 76 MET H 5.000 . 5.000 3.520 3.431 3.741 . 0 0 "[ . 1 . 2]" 1
914 1 75 ASP H 1 75 ASP HA 2.900 . 2.900 2.839 2.801 2.881 . 0 0 "[ . 1 . 2]" 1
915 1 75 ASP HA 1 76 MET H 5.000 . 5.000 3.436 3.409 3.500 . 0 0 "[ . 1 . 2]" 1
916 1 75 ASP HA 1 78 GLN H 3.500 . 3.500 3.492 3.373 3.522 0.022 3 0 "[ . 1 . 2]" 1
917 1 75 ASP H 1 75 ASP QB 2.900 . 3.500 2.524 2.088 2.664 . 0 0 "[ . 1 . 2]" 1
918 1 75 ASP QB 1 76 MET H 2.900 . 3.900 3.054 2.754 3.510 . 0 0 "[ . 1 . 2]" 1
919 1 75 ASP H 1 76 MET H 2.900 . 2.900 2.516 2.384 2.648 . 0 0 "[ . 1 . 2]" 1
920 1 76 MET H 1 76 MET HA 2.900 . 2.900 2.870 2.846 2.887 . 0 0 "[ . 1 . 2]" 1
921 1 76 MET HA 1 77 PHE H 5.000 . 5.000 3.588 3.578 3.593 . 0 0 "[ . 1 . 2]" 1
922 1 76 MET HA 1 79 TYR H 5.000 . 5.000 3.920 3.701 4.125 . 0 0 "[ . 1 . 2]" 1
923 1 76 MET H 1 76 MET QB 2.900 . 3.500 2.222 2.063 2.280 . 0 0 "[ . 1 . 2]" 1
924 1 76 MET QB 1 77 PHE H 2.900 . 3.900 2.204 1.994 2.458 . 0 0 "[ . 1 . 2]" 1
925 1 76 MET H 1 76 MET QG 3.500 . 4.500 3.872 3.238 4.004 . 0 0 "[ . 1 . 2]" 1
926 1 76 MET QG 1 77 PHE H 5.000 . 6.000 3.491 3.179 4.188 . 0 0 "[ . 1 . 2]" 1
927 1 76 MET H 1 77 PHE H 3.500 . 3.500 2.701 2.551 2.823 . 0 0 "[ . 1 . 2]" 1
928 1 76 MET H 1 78 GLN H 5.000 . 5.000 3.515 3.423 3.617 . 0 0 "[ . 1 . 2]" 1
929 1 77 PHE H 1 77 PHE HA 2.900 . 2.900 2.851 2.812 2.879 . 0 0 "[ . 1 . 2]" 1
930 1 77 PHE HA 1 78 GLN H 3.500 . 3.500 3.455 3.432 3.507 0.007 1 0 "[ . 1 . 2]" 1
931 1 77 PHE HA 1 80 MET H 3.500 . 3.500 3.512 3.397 3.538 0.038 17 0 "[ . 1 . 2]" 1
932 1 77 PHE H 1 77 PHE QB 2.900 . 3.500 2.699 2.615 2.746 . 0 0 "[ . 1 . 2]" 1
933 1 77 PHE QB 1 78 GLN H 3.500 . 4.500 3.009 2.785 3.095 . 0 0 "[ . 1 . 2]" 1
934 1 77 PHE H 1 77 PHE QD 2.900 . 4.900 2.583 2.282 2.961 . 0 0 "[ . 1 . 2]" 1
935 1 77 PHE H 1 78 GLN H 2.900 . 2.900 2.540 2.427 2.652 . 0 0 "[ . 1 . 2]" 1
936 1 78 GLN H 1 78 GLN HA 2.900 . 2.900 2.874 2.829 2.886 . 0 0 "[ . 1 . 2]" 1
937 1 78 GLN HA 1 79 TYR H 3.500 . 3.500 3.558 3.539 3.562 0.062 13 0 "[ . 1 . 2]" 1
938 1 78 GLN HA 1 81 MET H 3.500 . 3.500 3.524 3.500 3.538 0.038 18 0 "[ . 1 . 2]" 1
939 1 78 GLN H 1 78 GLN QB 2.900 . 3.500 2.268 2.142 2.337 . 0 0 "[ . 1 . 2]" 1
940 1 78 GLN QB 1 79 TYR H 2.900 . 3.900 2.291 2.192 2.501 . 0 0 "[ . 1 . 2]" 1
941 1 78 GLN QG 1 79 TYR H 5.000 . 6.000 3.639 3.272 4.266 . 0 0 "[ . 1 . 2]" 1
942 1 78 GLN H 1 79 TYR H 2.900 . 2.900 2.616 2.524 2.737 . 0 0 "[ . 1 . 2]" 1
943 1 79 TYR H 1 79 TYR HA 2.900 . 2.900 2.832 2.815 2.859 . 0 0 "[ . 1 . 2]" 1
944 1 79 TYR HA 1 80 MET H 3.500 . 3.500 3.474 3.427 3.528 0.028 19 0 "[ . 1 . 2]" 1
945 1 79 TYR HA 1 81 MET H 5.000 . 5.000 4.630 4.300 4.934 . 0 0 "[ . 1 . 2]" 1
946 1 79 TYR HA 1 82 GLU H 5.000 . 5.000 3.496 3.269 3.751 . 0 0 "[ . 1 . 2]" 1
947 1 79 TYR H 1 79 TYR QB 2.900 . 3.500 2.146 2.066 2.279 . 0 0 "[ . 1 . 2]" 1
948 1 79 TYR QB 1 80 MET H 2.900 . 3.900 2.925 2.690 3.068 . 0 0 "[ . 1 . 2]" 1
949 1 79 TYR H 1 80 MET QG 5.000 . 6.000 4.543 4.097 5.240 . 0 0 "[ . 1 . 2]" 1
950 1 79 TYR H 1 80 MET H 2.900 . 2.900 2.578 2.489 2.654 . 0 0 "[ . 1 . 2]" 1
951 1 80 MET HA 1 81 MET H 5.000 . 5.000 3.557 3.511 3.574 . 0 0 "[ . 1 . 2]" 1
952 1 80 MET HA 1 83 SER H 5.000 . 5.000 3.978 3.636 4.288 . 0 0 "[ . 1 . 2]" 1
953 1 80 MET HA 1 84 HIS H 3.500 . 3.500 3.372 3.163 3.507 0.007 16 0 "[ . 1 . 2]" 1
954 1 80 MET H 1 80 MET QB 2.900 . 3.500 2.257 2.082 2.411 . 0 0 "[ . 1 . 2]" 1
955 1 80 MET QB 1 81 MET H 2.900 . 3.900 2.522 2.306 2.757 . 0 0 "[ . 1 . 2]" 1
956 1 80 MET ME 1 87 TRP H 5.000 . 6.500 3.721 2.828 5.302 . 0 0 "[ . 1 . 2]" 1
957 1 80 MET H 1 80 MET QG 2.900 . 3.900 2.717 2.298 3.300 . 0 0 "[ . 1 . 2]" 1
958 1 80 MET H 1 81 MET H 2.900 . 2.900 2.518 2.393 2.696 . 0 0 "[ . 1 . 2]" 1
959 1 81 MET H 1 81 MET HA 2.900 . 2.900 2.859 2.806 2.896 . 0 0 "[ . 1 . 2]" 1
960 1 81 MET HA 1 82 GLU H 3.500 . 3.500 3.462 3.425 3.499 . 0 0 "[ . 1 . 2]" 1
961 1 81 MET H 1 81 MET QB 2.900 . 3.500 2.160 2.046 2.359 . 0 0 "[ . 1 . 2]" 1
962 1 81 MET QB 1 82 GLU H 2.900 . 3.900 3.085 2.895 3.529 . 0 0 "[ . 1 . 2]" 1
963 1 81 MET H 1 81 MET QG 2.900 . 3.900 2.987 2.276 3.562 . 0 0 "[ . 1 . 2]" 1
964 1 81 MET H 1 82 GLU H 2.900 . 2.900 2.507 2.356 2.660 . 0 0 "[ . 1 . 2]" 1
965 1 81 MET H 1 83 SER H 5.000 . 5.000 4.459 4.143 4.742 . 0 0 "[ . 1 . 2]" 1
966 1 82 GLU H 1 82 GLU HA 2.900 . 2.900 2.815 2.772 2.839 . 0 0 "[ . 1 . 2]" 1
967 1 82 GLU HA 1 83 SER H 3.500 . 3.500 3.503 3.402 3.559 0.059 8 0 "[ . 1 . 2]" 1
968 1 82 GLU H 1 82 GLU QB 2.900 . 3.500 2.127 2.033 2.321 . 0 0 "[ . 1 . 2]" 1
969 1 82 GLU QB 1 83 SER H 2.900 . 3.900 2.816 2.284 3.592 . 0 0 "[ . 1 . 2]" 1
970 1 82 GLU H 1 82 GLU QG 2.900 . 3.900 2.972 2.538 3.488 . 0 0 "[ . 1 . 2]" 1
971 1 82 GLU QG 1 83 SER H 5.000 . 6.000 3.818 1.554 4.564 0.246 4 0 "[ . 1 . 2]" 1
972 1 82 GLU H 1 83 SER H 2.900 . 2.900 2.736 2.595 2.901 0.001 6 0 "[ . 1 . 2]" 1
973 1 82 GLU H 1 84 HIS H 5.000 . 5.000 3.822 3.536 4.114 . 0 0 "[ . 1 . 2]" 1
974 1 83 SER H 1 83 SER HA 2.900 . 2.900 2.643 2.485 2.759 . 0 0 "[ . 1 . 2]" 1
975 1 83 SER HA 1 84 HIS H 5.000 . 5.000 3.263 3.232 3.288 . 0 0 "[ . 1 . 2]" 1
976 1 83 SER H 1 83 SER QB 3.500 . 4.100 3.265 3.040 3.515 . 0 0 "[ . 1 . 2]" 1
977 1 83 SER H 1 84 HIS QB 5.000 . 6.000 3.743 3.432 4.067 . 0 0 "[ . 1 . 2]" 1
978 1 83 SER H 1 84 HIS H 2.900 . 2.900 1.709 1.614 1.920 0.186 12 0 "[ . 1 . 2]" 1
979 1 84 HIS H 1 84 HIS HA 2.900 . 2.900 2.923 2.904 2.936 0.036 13 0 "[ . 1 . 2]" 1
980 1 84 HIS H 1 84 HIS QB 2.900 . 3.500 2.337 2.144 2.695 . 0 0 "[ . 1 . 2]" 1
981 1 85 GLY QA 1 86 ASP H 2.900 . 3.900 2.152 2.136 2.179 . 0 0 "[ . 1 . 2]" 1
982 1 86 ASP H 1 86 ASP HA 2.900 . 2.900 2.955 2.949 2.957 0.057 2 0 "[ . 1 . 2]" 1
983 1 86 ASP HA 1 87 TRP H 2.900 . 2.900 2.568 2.517 2.625 . 0 0 "[ . 1 . 2]" 1
984 1 86 ASP H 1 86 ASP QB 2.900 . 3.500 2.459 2.322 3.170 . 0 0 "[ . 1 . 2]" 1
985 1 86 ASP QB 1 87 TRP H 3.500 . 4.500 3.970 3.936 4.089 . 0 0 "[ . 1 . 2]" 1
986 1 86 ASP H 1 87 TRP HE3 2.900 . 2.900 2.230 1.984 2.529 . 0 0 "[ . 1 . 2]" 1
987 1 86 ASP H 1 87 TRP HH2 3.500 . 3.500 3.592 3.566 3.609 0.109 19 0 "[ . 1 . 2]" 1
988 1 86 ASP H 1 87 TRP H 3.500 . 3.500 3.329 3.242 3.415 . 0 0 "[ . 1 . 2]" 1
989 1 87 TRP H 1 87 TRP HA 2.900 . 2.900 2.898 2.883 2.914 0.014 19 0 "[ . 1 . 2]" 1
990 1 87 TRP HA 1 88 LEU H 3.500 . 3.500 3.405 3.356 3.482 . 0 0 "[ . 1 . 2]" 1
991 1 87 TRP H 1 87 TRP QB 3.500 . 4.100 2.888 2.844 2.950 . 0 0 "[ . 1 . 2]" 1
992 1 87 TRP QB 1 88 LEU H 2.900 . 3.900 1.741 1.717 1.783 0.083 20 0 "[ . 1 . 2]" 1
993 1 87 TRP H 1 87 TRP HE3 5.000 . 5.000 3.071 2.884 3.146 . 0 0 "[ . 1 . 2]" 1
994 1 87 TRP H 1 87 TRP HZ3 5.000 . 5.000 5.022 4.878 5.075 0.075 19 0 "[ . 1 . 2]" 1
995 1 87 TRP H 1 88 LEU H 3.500 . 3.500 3.469 3.229 3.551 0.051 2 0 "[ . 1 . 2]" 1
996 1 88 LEU HA 1 89 ALA H 2.900 . 2.900 2.448 2.429 2.482 . 0 0 "[ . 1 . 2]" 1
997 1 88 LEU H 1 88 LEU QB 3.500 . 4.100 2.713 2.521 3.165 . 0 0 "[ . 1 . 2]" 1
998 1 88 LEU QB 1 89 ALA H 2.900 . 3.900 2.074 2.031 2.204 . 0 0 "[ . 1 . 2]" 1
999 1 88 LEU H 1 88 LEU QD 3.500 . 5.200 2.548 1.379 3.093 0.421 7 0 "[ . 1 . 2]" 1
1000 1 88 LEU QD 1 89 ALA H 2.900 . 5.300 3.322 3.028 3.517 . 0 0 "[ . 1 . 2]" 1
1001 1 88 LEU H 1 88 LEU HG 3.500 . 3.500 3.302 2.304 3.560 0.060 9 0 "[ . 1 . 2]" 1
1002 1 88 LEU HG 1 89 ALA H 5.000 . 5.000 4.219 3.938 4.738 . 0 0 "[ . 1 . 2]" 1
1003 1 88 LEU H 1 89 ALA H 5.000 . 5.000 4.412 4.399 4.429 . 0 0 "[ . 1 . 2]" 1
1004 1 89 ALA HA 1 90 ILE H 3.500 . 3.500 2.168 2.158 2.175 . 0 0 "[ . 1 . 2]" 1
1005 1 89 ALA H 1 89 ALA MB 2.900 . 4.000 2.602 2.512 2.692 . 0 0 "[ . 1 . 2]" 1
1006 1 89 ALA MB 1 90 ILE H 2.900 . 4.400 3.173 3.108 3.238 . 0 0 "[ . 1 . 2]" 1
1007 1 89 ALA H 1 90 ILE H 5.000 . 5.000 4.180 4.114 4.227 . 0 0 "[ . 1 . 2]" 1
1008 1 90 ILE H 1 90 ILE HB 2.900 . 2.900 2.894 2.850 2.910 0.010 4 0 "[ . 1 . 2]" 1
1009 1 90 ILE HB 1 92 TYR H 5.000 . 5.000 5.044 5.021 5.062 0.062 15 0 "[ . 1 . 2]" 1
1010 1 90 ILE H 1 90 ILE MD 2.900 . 4.400 3.566 3.529 3.591 . 0 0 "[ . 1 . 2]" 1
1011 1 90 ILE H 1 90 ILE HG12 3.500 . 3.500 2.046 1.921 2.254 . 0 0 "[ . 1 . 2]" 1
1012 1 90 ILE H 1 90 ILE MG 3.500 . 5.000 3.674 3.655 3.689 . 0 0 "[ . 1 . 2]" 1
1013 1 90 ILE MG 1 94 SER H 3.500 . 5.000 4.014 3.984 4.025 . 0 0 "[ . 1 . 2]" 1
1014 1 90 ILE MG 1 97 ALA H 2.900 . 4.400 3.425 3.388 3.465 . 0 0 "[ . 1 . 2]" 1
1015 1 91 PRO HA 1 92 TYR H 2.900 . 2.900 2.201 2.185 2.217 . 0 0 "[ . 1 . 2]" 1
1016 1 91 PRO QB 1 92 TYR H 3.500 . 4.500 3.620 3.577 3.641 . 0 0 "[ . 1 . 2]" 1
1017 1 91 PRO QG 1 92 TYR H 5.000 . 6.000 4.866 4.856 4.887 . 0 0 "[ . 1 . 2]" 1
1018 1 92 TYR HA 1 93 ARG H 3.500 . 3.500 3.463 3.452 3.475 . 0 0 "[ . 1 . 2]" 1
1019 1 92 TYR H 1 92 TYR QB 2.900 . 3.500 2.651 2.402 2.810 . 0 0 "[ . 1 . 2]" 1
1020 1 92 TYR H 1 92 TYR QD 5.000 . 7.000 1.707 1.621 2.150 0.179 20 0 "[ . 1 . 2]" 1
1021 1 92 TYR QD 1 93 ARG H 5.000 . 7.000 3.253 2.836 3.354 . 0 0 "[ . 1 . 2]" 1
1022 1 92 TYR QD 1 94 SER H 5.000 . 7.000 5.007 4.838 5.121 . 0 0 "[ . 1 . 2]" 1
1023 1 92 TYR H 1 93 ARG H 2.900 . 2.900 2.962 2.950 2.973 0.073 14 0 "[ . 1 . 2]" 1
1024 1 93 ARG H 1 93 ARG HA 2.900 . 2.900 2.910 2.904 2.921 0.021 12 0 "[ . 1 . 2]" 1
1025 1 93 ARG HA 1 94 SER H 2.900 . 2.900 3.002 2.997 3.005 0.105 9 0 "[ . 1 . 2]" 1
1026 1 93 ARG QB 1 94 SER H 5.000 . 6.000 3.701 3.679 3.961 . 0 0 "[ . 1 . 2]" 1
1027 1 93 ARG H 1 93 ARG QD 5.000 . 6.000 4.117 2.404 4.671 . 0 0 "[ . 1 . 2]" 1
1028 1 93 ARG H 1 94 SER H 3.500 . 3.500 2.756 2.703 2.783 . 0 0 "[ . 1 . 2]" 1
1029 1 93 ARG H 1 97 ALA MB 5.000 . 6.500 5.364 5.310 5.411 . 0 0 "[ . 1 . 2]" 1
1030 1 94 SER H 1 94 SER HA 2.900 . 2.900 2.940 2.934 2.944 0.044 4 0 "[ . 1 . 2]" 1
1031 1 94 SER H 1 94 SER QB 2.900 . 3.500 2.424 2.220 2.981 . 0 0 "[ . 1 . 2]" 1
1032 1 94 SER H 1 97 ALA MB 2.900 . 4.400 3.432 3.368 3.524 . 0 0 "[ . 1 . 2]" 1
1033 1 96 PRO HA 1 100 VAL H 5.000 . 5.000 3.859 3.794 3.950 . 0 0 "[ . 1 . 2]" 1
1034 1 96 PRO HA 1 97 ALA H 5.000 . 5.000 3.497 3.466 3.515 . 0 0 "[ . 1 . 2]" 1
1035 1 96 PRO HA 1 99 ASN H 5.000 . 5.000 4.079 3.838 4.257 . 0 0 "[ . 1 . 2]" 1
1036 1 96 PRO QB 1 97 ALA H 3.500 . 4.500 2.890 2.804 3.077 . 0 0 "[ . 1 . 2]" 1
1037 1 96 PRO QG 1 97 ALA H 5.000 . 6.000 4.000 3.411 4.096 . 0 0 "[ . 1 . 2]" 1
1038 1 97 ALA HA 1 100 VAL H 5.000 . 5.000 3.722 3.676 3.759 . 0 0 "[ . 1 . 2]" 1
1039 1 97 ALA H 1 97 ALA HA 2.900 . 2.900 2.877 2.865 2.893 . 0 0 "[ . 1 . 2]" 1
1040 1 97 ALA HA 1 98 SER H 3.500 . 3.500 3.535 3.510 3.549 0.049 4 0 "[ . 1 . 2]" 1
1041 1 97 ALA H 1 97 ALA MB 2.900 . 4.000 2.087 2.056 2.152 . 0 0 "[ . 1 . 2]" 1
1042 1 97 ALA MB 1 98 SER H 2.900 . 4.400 2.613 2.444 2.721 . 0 0 "[ . 1 . 2]" 1
1043 1 97 ALA H 1 100 VAL QG 3.500 . 5.900 4.249 4.136 4.325 . 0 0 "[ . 1 . 2]" 1
1044 1 97 ALA H 1 100 VAL H 5.000 . 5.000 4.420 4.303 4.506 . 0 0 "[ . 1 . 2]" 1
1045 1 97 ALA H 1 98 SER H 2.900 . 2.900 2.457 2.410 2.497 . 0 0 "[ . 1 . 2]" 1
1046 1 97 ALA H 1 99 ASN H 5.000 . 5.000 4.350 4.238 4.431 . 0 0 "[ . 1 . 2]" 1
1047 1 98 SER HA 1 101 THR H 3.500 . 3.500 3.323 3.214 3.475 . 0 0 "[ . 1 . 2]" 1
1048 1 98 SER H 1 98 SER HA 2.900 . 2.900 2.863 2.855 2.871 . 0 0 "[ . 1 . 2]" 1
1049 1 98 SER HA 1 99 ASN H 3.500 . 3.500 3.559 3.557 3.560 0.060 10 0 "[ . 1 . 2]" 1
1050 1 98 SER H 1 98 SER QB 2.900 . 3.500 2.456 2.073 2.937 . 0 0 "[ . 1 . 2]" 1
1051 1 98 SER QB 1 99 ASN H 3.500 . 4.500 2.404 1.990 3.010 . 0 0 "[ . 1 . 2]" 1
1052 1 98 SER H 1 99 ASN H 2.900 . 2.900 2.789 2.757 2.820 . 0 0 "[ . 1 . 2]" 1
1053 1 99 ASN HA 1 100 VAL H 3.500 . 3.500 3.497 3.491 3.504 0.004 15 0 "[ . 1 . 2]" 1
1054 1 99 ASN H 1 99 ASN HA 2.900 . 2.900 2.737 2.734 2.744 . 0 0 "[ . 1 . 2]" 1
1055 1 99 ASN QB 1 100 VAL H 3.500 . 4.500 2.781 2.695 2.861 . 0 0 "[ . 1 . 2]" 1
1056 1 99 ASN H 1 99 ASN QB 2.900 . 3.500 2.287 2.074 2.765 . 0 0 "[ . 1 . 2]" 1
1057 1 100 VAL H 1 100 VAL HA 2.900 . 2.900 2.821 2.810 2.834 . 0 0 "[ . 1 . 2]" 1
1058 1 100 VAL HA 1 101 THR H 5.000 . 5.000 3.560 3.549 3.570 . 0 0 "[ . 1 . 2]" 1
1059 1 100 VAL HA 1 103 LYS H 3.500 . 3.500 3.498 3.447 3.516 0.016 7 0 "[ . 1 . 2]" 1
1060 1 100 VAL H 1 100 VAL HB 2.900 . 2.900 2.154 2.107 2.223 . 0 0 "[ . 1 . 2]" 1
1061 1 100 VAL HB 1 101 THR H 3.500 . 3.500 2.586 2.408 2.742 . 0 0 "[ . 1 . 2]" 1
1062 1 100 VAL H 1 100 VAL QG 2.900 . 4.600 2.700 2.580 2.797 . 0 0 "[ . 1 . 2]" 1
1063 1 100 VAL QG 1 101 THR H 2.900 . 5.300 2.430 2.275 2.518 . 0 0 "[ . 1 . 2]" 1
1064 1 100 VAL H 1 101 THR H 2.900 . 2.900 2.751 2.652 2.860 . 0 0 "[ . 1 . 2]" 1
1065 1 100 VAL H 1 102 ALA H 5.000 . 5.000 4.029 3.993 4.048 . 0 0 "[ . 1 . 2]" 1
1066 1 101 THR H 1 101 THR HA 2.900 . 2.900 2.831 2.815 2.847 . 0 0 "[ . 1 . 2]" 1
1067 1 101 THR HA 1 102 ALA H 3.500 . 3.500 3.512 3.503 3.515 0.015 13 0 "[ . 1 . 2]" 1
1068 1 101 THR HA 1 104 TYR H 3.500 . 3.500 3.541 3.530 3.550 0.050 5 0 "[ . 1 . 2]" 1
1069 1 101 THR H 1 101 THR HB 2.900 . 2.900 2.760 2.719 2.796 . 0 0 "[ . 1 . 2]" 1
1070 1 101 THR HB 1 102 ALA H 2.900 . 2.900 2.299 2.252 2.353 . 0 0 "[ . 1 . 2]" 1
1071 1 101 THR HB 1 103 LYS H 5.000 . 5.000 4.499 4.428 4.542 . 0 0 "[ . 1 . 2]" 1
1072 1 101 THR H 1 101 THR MG 3.500 . 5.000 3.692 3.676 3.707 . 0 0 "[ . 1 . 2]" 1
1073 1 101 THR MG 1 102 ALA H 2.900 . 4.400 3.632 3.587 3.676 . 0 0 "[ . 1 . 2]" 1
1074 1 101 THR MG 1 106 ILE H 2.900 . 4.400 3.446 3.367 3.521 . 0 0 "[ . 1 . 2]" 1
1075 1 101 THR H 1 102 ALA H 2.900 . 2.900 2.625 2.582 2.660 . 0 0 "[ . 1 . 2]" 1
1076 1 101 THR H 1 103 LYS H 5.000 . 5.000 3.707 3.637 3.766 . 0 0 "[ . 1 . 2]" 1
1077 1 102 ALA H 1 102 ALA HA 2.900 . 2.900 2.849 2.843 2.858 . 0 0 "[ . 1 . 2]" 1
1078 1 102 ALA HA 1 103 LYS H 3.500 . 3.500 3.441 3.424 3.452 . 0 0 "[ . 1 . 2]" 1
1079 1 102 ALA HA 1 105 GLY H 3.500 . 3.500 3.357 3.210 3.507 0.007 1 0 "[ . 1 . 2]" 1
1080 1 102 ALA HA 1 106 ILE H 5.000 . 5.000 3.826 3.599 4.002 . 0 0 "[ . 1 . 2]" 1
1081 1 102 ALA H 1 102 ALA MB 2.900 . 4.000 2.066 1.990 2.194 . 0 0 "[ . 1 . 2]" 1
1082 1 102 ALA MB 1 103 LYS H 2.900 . 4.400 2.963 2.903 3.000 . 0 0 "[ . 1 . 2]" 1
1083 1 102 ALA H 1 103 LYS H 2.900 . 2.900 2.489 2.448 2.528 . 0 0 "[ . 1 . 2]" 1
1084 1 102 ALA H 1 104 TYR H 5.000 . 5.000 4.158 4.127 4.239 . 0 0 "[ . 1 . 2]" 1
1085 1 103 LYS H 1 103 LYS HA 2.900 . 2.900 2.888 2.871 2.900 0.000 1 0 "[ . 1 . 2]" 1
1086 1 103 LYS H 1 103 LYS QB 2.900 . 3.500 2.211 2.177 2.244 . 0 0 "[ . 1 . 2]" 1
1087 1 103 LYS QB 1 104 TYR H 2.900 . 3.900 2.740 2.669 2.796 . 0 0 "[ . 1 . 2]" 1
1088 1 103 LYS H 1 103 LYS QG 3.500 . 4.500 3.731 2.870 4.029 . 0 0 "[ . 1 . 2]" 1
1089 1 103 LYS QG 1 104 TYR H 5.000 . 6.000 3.519 3.148 4.376 . 0 0 "[ . 1 . 2]" 1
1090 1 103 LYS H 1 104 TYR H 2.900 . 2.900 2.413 2.362 2.498 . 0 0 "[ . 1 . 2]" 1
1091 1 103 LYS H 1 105 GLY H 5.000 . 5.000 3.668 3.612 3.706 . 0 0 "[ . 1 . 2]" 1
1092 1 104 TYR H 1 104 TYR HA 2.900 . 2.900 2.888 2.866 2.907 0.007 3 0 "[ . 1 . 2]" 1
1093 1 104 TYR HA 1 105 GLY H 3.500 . 3.500 3.396 3.310 3.430 . 0 0 "[ . 1 . 2]" 1
1094 1 104 TYR H 1 104 TYR QB 2.900 . 3.500 2.172 2.094 2.240 . 0 0 "[ . 1 . 2]" 1
1095 1 104 TYR QB 1 105 GLY H 5.000 . 6.000 3.146 3.048 3.322 . 0 0 "[ . 1 . 2]" 1
1096 1 104 TYR QB 1 106 ILE H 5.000 . 6.000 3.127 2.872 3.240 . 0 0 "[ . 1 . 2]" 1
1097 1 104 TYR H 1 104 TYR QD 2.900 . 4.900 2.924 2.167 3.522 . 0 0 "[ . 1 . 2]" 1
1098 1 104 TYR H 1 104 TYR QE 5.000 . 7.000 4.965 4.539 5.393 . 0 0 "[ . 1 . 2]" 1
1099 1 104 TYR H 1 105 GLY H 2.900 . 2.900 2.431 2.352 2.490 . 0 0 "[ . 1 . 2]" 1
1100 1 105 GLY QA 1 106 ILE H 2.900 . 3.900 2.794 2.748 2.881 . 0 0 "[ . 1 . 2]" 1
1101 1 105 GLY H 1 106 ILE HB 5.000 . 5.000 4.914 4.643 5.008 0.008 6 0 "[ . 1 . 2]" 1
1102 1 105 GLY H 1 106 ILE H 2.900 . 2.900 2.465 2.329 2.549 . 0 0 "[ . 1 . 2]" 1
1103 1 105 GLY H 1 107 THR MG 5.000 . 6.500 4.593 4.293 4.991 . 0 0 "[ . 1 . 2]" 1
1104 1 106 ILE H 1 106 ILE HB 2.900 . 2.900 2.628 2.535 2.687 . 0 0 "[ . 1 . 2]" 1
1105 1 106 ILE H 1 106 ILE MD 2.900 . 4.400 3.546 3.471 3.730 . 0 0 "[ . 1 . 2]" 1
1106 1 106 ILE H 1 106 ILE HG13 2.900 . 2.900 2.944 2.915 2.969 0.069 8 0 "[ . 1 . 2]" 1
1107 1 106 ILE H 1 106 ILE HG12 2.900 . 2.900 1.870 1.781 2.112 0.019 1 0 "[ . 1 . 2]" 1
1108 1 106 ILE H 1 106 ILE MG 2.900 . 4.400 3.727 3.719 3.742 . 0 0 "[ . 1 . 2]" 1
1109 1 108 GLY QA 1 109 ILE H 2.900 . 3.900 2.888 2.857 2.905 . 0 0 "[ . 1 . 2]" 1
1110 1 109 ILE HA 1 111 ALA H 3.500 . 3.500 2.641 2.527 2.816 . 0 0 "[ . 1 . 2]" 1
1111 1 109 ILE H 1 109 ILE MD 3.500 . 5.000 1.567 1.559 1.575 0.241 12 0 "[ . 1 . 2]" 1
1112 1 109 ILE H 1 109 ILE HG13 2.900 . 2.900 3.020 3.011 3.033 0.133 12 0 "[ . 1 . 2]" 1
1113 1 109 ILE H 1 109 ILE HG12 2.900 . 2.900 1.753 1.744 1.760 0.056 6 0 "[ . 1 . 2]" 1
1114 1 109 ILE H 1 109 ILE MG 3.500 . 5.000 3.267 3.186 3.371 . 0 0 "[ . 1 . 2]" 1
1115 1 109 ILE MG 1 111 ALA H 3.500 . 5.000 2.613 2.195 2.851 . 0 0 "[ . 1 . 2]" 1
1116 1 109 ILE H 1 110 PRO HA 5.000 . 5.000 4.749 4.682 4.805 . 0 0 "[ . 1 . 2]" 1
1117 1 110 PRO HA 1 111 ALA H 2.900 . 2.900 2.220 2.195 2.265 . 0 0 "[ . 1 . 2]" 1
1118 1 110 PRO QB 1 111 ALA H 3.500 . 4.500 3.127 3.011 3.193 . 0 0 "[ . 1 . 2]" 1
1119 1 111 ALA HA 1 112 LEU H 2.900 . 2.900 2.300 2.227 2.359 . 0 0 "[ . 1 . 2]" 1
1120 1 111 ALA HA 1 127 ARG H 5.000 . 5.000 4.988 4.904 5.058 0.058 5 0 "[ . 1 . 2]" 1
1121 1 111 ALA H 1 111 ALA MB 2.900 . 4.000 2.752 2.642 2.862 . 0 0 "[ . 1 . 2]" 1
1122 1 111 ALA MB 1 112 LEU H 2.900 . 4.400 2.647 2.440 2.849 . 0 0 "[ . 1 . 2]" 1
1123 1 111 ALA H 1 112 LEU H 5.000 . 5.000 4.334 4.262 4.370 . 0 0 "[ . 1 . 2]" 1
1124 1 112 LEU HA 1 113 VAL H 2.900 . 2.900 2.174 2.160 2.189 . 0 0 "[ . 1 . 2]" 1
1125 1 112 LEU H 1 112 LEU QB 3.500 . 4.100 2.478 2.411 2.564 . 0 0 "[ . 1 . 2]" 1
1126 1 112 LEU QB 1 126 GLY H 5.000 . 6.000 3.654 2.787 3.967 . 0 0 "[ . 1 . 2]" 1
1127 1 112 LEU QB 1 127 ARG H 5.000 . 6.000 3.000 1.999 3.407 . 0 0 "[ . 1 . 2]" 1
1128 1 112 LEU QD 1 113 VAL H 3.500 . 5.900 2.509 1.989 2.679 . 0 0 "[ . 1 . 2]" 1
1129 1 112 LEU QD 1 126 GLY H 3.500 . 5.900 4.108 3.420 4.329 . 0 0 "[ . 1 . 2]" 1
1130 1 112 LEU QD 1 127 ARG H 5.000 . 7.400 4.018 2.857 4.390 . 0 0 "[ . 1 . 2]" 1
1131 1 112 LEU QD 1 141 TRP HE1 3.500 . 5.900 3.988 3.876 4.168 . 0 0 "[ . 1 . 2]" 1
1132 1 112 LEU HG 1 113 VAL H 5.000 . 5.000 3.328 2.962 4.008 . 0 0 "[ . 1 . 2]" 1
1133 1 112 LEU H 1 113 VAL H 5.000 . 5.000 4.333 4.291 4.371 . 0 0 "[ . 1 . 2]" 1
1134 1 112 LEU H 1 126 GLY H 5.000 . 5.000 4.461 4.244 4.634 . 0 0 "[ . 1 . 2]" 1
1135 1 112 LEU H 1 127 ARG QB 3.500 . 4.500 2.973 2.531 3.707 . 0 0 "[ . 1 . 2]" 1
1136 1 112 LEU H 1 127 ARG H 3.500 . 3.500 3.518 3.269 3.577 0.077 12 0 "[ . 1 . 2]" 1
1137 1 113 VAL HA 1 114 ILE H 2.900 . 2.900 2.153 2.125 2.208 . 0 0 "[ . 1 . 2]" 1
1138 1 113 VAL HA 1 126 GLY H 5.000 . 5.000 4.079 3.485 4.567 . 0 0 "[ . 1 . 2]" 1
1139 1 113 VAL H 1 113 VAL HB 2.900 . 2.900 2.321 2.282 2.353 . 0 0 "[ . 1 . 2]" 1
1140 1 113 VAL HB 1 114 ILE H 5.000 . 5.000 4.414 4.275 4.591 . 0 0 "[ . 1 . 2]" 1
1141 1 113 VAL H 1 113 VAL QG 2.900 . 4.600 2.977 2.847 3.046 . 0 0 "[ . 1 . 2]" 1
1142 1 113 VAL QG 1 114 ILE H 3.500 . 5.900 2.551 2.230 3.049 . 0 0 "[ . 1 . 2]" 1
1143 1 114 ILE HA 1 115 VAL H 2.900 . 2.900 2.127 2.102 2.140 . 0 0 "[ . 1 . 2]" 1
1144 1 114 ILE H 1 114 ILE HB 2.900 . 2.900 2.661 2.560 2.738 . 0 0 "[ . 1 . 2]" 1
1145 1 114 ILE HB 1 115 VAL H 5.000 . 5.000 4.162 4.060 4.272 . 0 0 "[ . 1 . 2]" 1
1146 1 114 ILE HB 1 141 TRP HE1 5.000 . 5.000 5.008 4.965 5.029 0.029 9 0 "[ . 1 . 2]" 1
1147 1 114 ILE H 1 114 ILE MD 5.000 . 6.500 3.408 2.751 3.520 . 0 0 "[ . 1 . 2]" 1
1148 1 114 ILE MD 1 115 VAL H 3.500 . 5.000 3.580 3.412 3.790 . 0 0 "[ . 1 . 2]" 1
1149 1 114 ILE MD 1 126 GLY H 5.000 . 6.500 5.043 3.583 5.419 . 0 0 "[ . 1 . 2]" 1
1150 1 114 ILE MD 1 141 TRP HE1 5.000 . 6.500 4.364 3.790 4.631 . 0 0 "[ . 1 . 2]" 1
1151 1 114 ILE H 1 114 ILE HG13 5.000 . 5.000 3.994 3.695 4.122 . 0 0 "[ . 1 . 2]" 1
1152 1 114 ILE HG13 1 123 SER H 5.000 . 5.000 4.986 4.815 5.019 0.019 11 0 "[ . 1 . 2]" 1
1153 1 114 ILE HG13 1 126 GLY H 5.000 . 5.000 4.734 3.692 5.015 0.015 20 0 "[ . 1 . 2]" 1
1154 1 114 ILE HG13 1 141 TRP HE1 5.000 . 5.000 3.292 2.855 3.485 . 0 0 "[ . 1 . 2]" 1
1155 1 114 ILE H 1 114 ILE HG12 2.900 . 2.900 2.574 2.152 2.732 . 0 0 "[ . 1 . 2]" 1
1156 1 114 ILE MG 1 115 VAL H 2.900 . 4.400 2.548 2.300 2.803 . 0 0 "[ . 1 . 2]" 1
1157 1 114 ILE MG 1 123 SER H 5.000 . 6.500 3.511 3.344 3.667 . 0 0 "[ . 1 . 2]" 1
1158 1 114 ILE MG 1 141 TRP HE1 5.000 . 6.500 4.794 4.284 4.940 . 0 0 "[ . 1 . 2]" 1
1159 1 114 ILE H 1 115 VAL H 5.000 . 5.000 4.361 4.236 4.474 . 0 0 "[ . 1 . 2]" 1
1160 1 114 ILE H 1 122 ILE MG 3.500 . 5.000 3.951 3.799 4.113 . 0 0 "[ . 1 . 2]" 1
1161 1 114 ILE H 1 123 SER QB 5.000 . 6.000 4.335 3.586 4.562 . 0 0 "[ . 1 . 2]" 1
1162 1 114 ILE H 1 123 SER H 5.000 . 5.000 4.054 3.735 4.238 . 0 0 "[ . 1 . 2]" 1
1163 1 114 ILE H 1 124 MET HA 5.000 . 5.000 2.544 2.179 2.906 . 0 0 "[ . 1 . 2]" 1
1164 1 114 ILE H 1 126 GLY H 5.000 . 5.000 4.274 3.377 4.807 . 0 0 "[ . 1 . 2]" 1
1165 1 115 VAL HA 1 116 LYS H 2.900 . 2.900 2.288 2.253 2.336 . 0 0 "[ . 1 . 2]" 1
1166 1 115 VAL HA 1 122 ILE H 3.500 . 3.500 3.123 2.747 3.371 . 0 0 "[ . 1 . 2]" 1
1167 1 115 VAL HA 1 123 SER H 5.000 . 5.000 4.235 3.879 4.501 . 0 0 "[ . 1 . 2]" 1
1168 1 115 VAL HB 1 116 LYS H 2.900 . 2.900 2.903 2.839 2.935 0.035 8 0 "[ . 1 . 2]" 1
1169 1 115 VAL HB 1 122 ILE H 5.000 . 5.000 4.721 4.294 4.993 . 0 0 "[ . 1 . 2]" 1
1170 1 115 VAL H 1 115 VAL QG 2.900 . 4.600 2.204 2.143 2.270 . 0 0 "[ . 1 . 2]" 1
1171 1 115 VAL QG 1 116 LYS H 2.900 . 5.300 3.055 2.843 3.233 . 0 0 "[ . 1 . 2]" 1
1172 1 115 VAL QG 1 119 GLY H 3.500 . 5.900 3.566 3.291 3.765 . 0 0 "[ . 1 . 2]" 1
1173 1 115 VAL QG 1 122 ILE H 3.500 . 5.900 3.929 3.749 4.064 . 0 0 "[ . 1 . 2]" 1
1174 1 115 VAL H 1 116 LYS H 5.000 . 5.000 4.415 4.382 4.461 . 0 0 "[ . 1 . 2]" 1
1175 1 116 LYS HA 1 117 LYS H 2.900 . 2.900 2.368 2.243 2.750 . 0 0 "[ . 1 . 2]" 1
1176 1 116 LYS H 1 116 LYS QB 2.900 . 3.500 2.263 2.134 2.362 . 0 0 "[ . 1 . 2]" 1
1177 1 116 LYS QB 1 117 LYS H 2.900 . 3.900 2.547 1.782 2.883 0.018 17 0 "[ . 1 . 2]" 1
1178 1 116 LYS QB 1 118 ASP H 3.500 . 4.500 2.848 2.772 2.918 . 0 0 "[ . 1 . 2]" 1
1179 1 116 LYS QB 1 119 GLY H 3.500 . 4.500 3.045 2.941 3.156 . 0 0 "[ . 1 . 2]" 1
1180 1 116 LYS QB 1 120 THR H 3.500 . 4.500 1.988 1.676 2.578 0.124 6 0 "[ . 1 . 2]" 1
1181 1 116 LYS H 1 116 LYS QD 3.500 . 4.500 3.996 2.097 4.160 . 0 0 "[ . 1 . 2]" 1
1182 1 116 LYS QD 1 119 GLY H 5.000 . 6.000 5.151 5.071 5.250 . 0 0 "[ . 1 . 2]" 1
1183 1 116 LYS QD 1 120 THR H 5.000 . 6.000 4.021 3.808 4.413 . 0 0 "[ . 1 . 2]" 1
1184 1 116 LYS H 1 116 LYS QG 2.900 . 3.900 2.561 2.312 3.547 . 0 0 "[ . 1 . 2]" 1
1185 1 116 LYS QG 1 117 LYS H 3.500 . 4.500 3.669 3.113 3.915 . 0 0 "[ . 1 . 2]" 1
1186 1 116 LYS QG 1 119 GLY H 5.000 . 6.000 4.978 4.813 5.109 . 0 0 "[ . 1 . 2]" 1
1187 1 116 LYS QG 1 120 THR H 5.000 . 6.000 4.005 3.585 4.516 . 0 0 "[ . 1 . 2]" 1
1188 1 116 LYS H 1 117 LYS H 5.000 . 5.000 4.603 4.454 4.632 . 0 0 "[ . 1 . 2]" 1
1189 1 116 LYS H 1 120 THR HB 3.500 . 3.500 3.466 3.295 3.557 0.057 19 0 "[ . 1 . 2]" 1
1190 1 116 LYS H 1 120 THR MG 5.000 . 6.500 4.744 4.574 4.842 . 0 0 "[ . 1 . 2]" 1
1191 1 116 LYS H 1 120 THR H 5.000 . 5.000 3.183 2.712 3.859 . 0 0 "[ . 1 . 2]" 1
1192 1 116 LYS H 1 121 LEU HA 5.000 . 5.000 3.585 3.263 3.854 . 0 0 "[ . 1 . 2]" 1
1193 1 117 LYS HA 1 118 ASP H 5.000 . 5.000 3.565 3.556 3.567 . 0 0 "[ . 1 . 2]" 1
1194 1 117 LYS H 1 117 LYS QB 2.900 . 3.500 2.232 2.071 2.277 . 0 0 "[ . 1 . 2]" 1
1195 1 117 LYS QB 1 118 ASP H 3.500 . 4.500 2.450 2.327 2.598 . 0 0 "[ . 1 . 2]" 1
1196 1 117 LYS QG 1 118 ASP H 5.000 . 6.000 3.393 2.732 4.400 . 0 0 "[ . 1 . 2]" 1
1197 1 117 LYS H 1 118 ASP H 3.500 . 3.500 2.888 2.537 2.995 . 0 0 "[ . 1 . 2]" 1
1198 1 118 ASP HA 1 119 GLY H 3.500 . 3.500 3.351 3.259 3.402 . 0 0 "[ . 1 . 2]" 1
1199 1 118 ASP H 1 118 ASP QB 3.500 . 4.100 2.311 2.097 2.907 . 0 0 "[ . 1 . 2]" 1
1200 1 118 ASP QB 1 119 GLY H 5.000 . 6.000 3.273 3.106 3.731 . 0 0 "[ . 1 . 2]" 1
1201 1 118 ASP H 1 119 GLY H 2.900 . 2.900 2.639 2.554 2.699 . 0 0 "[ . 1 . 2]" 1
1202 1 118 ASP H 1 120 THR H 5.000 . 5.000 3.639 3.458 3.851 . 0 0 "[ . 1 . 2]" 1
1203 1 119 GLY QA 1 120 THR H 3.500 . 4.500 2.874 2.805 2.918 . 0 0 "[ . 1 . 2]" 1
1204 1 119 GLY H 1 120 THR HB 5.000 . 5.000 5.015 4.993 5.025 0.025 9 0 "[ . 1 . 2]" 1
1205 1 119 GLY H 1 120 THR H 2.900 . 2.900 2.156 2.065 2.369 . 0 0 "[ . 1 . 2]" 1
1206 1 120 THR H 1 120 THR HA 2.900 . 2.900 2.870 2.733 2.923 0.023 15 0 "[ . 1 . 2]" 1
1207 1 120 THR HA 1 121 LEU H 2.900 . 2.900 2.170 2.148 2.233 . 0 0 "[ . 1 . 2]" 1
1208 1 120 THR H 1 120 THR MG 3.500 . 5.000 3.559 3.254 3.652 . 0 0 "[ . 1 . 2]" 1
1209 1 120 THR MG 1 121 LEU H 2.900 . 4.400 2.880 2.509 3.329 . 0 0 "[ . 1 . 2]" 1
1210 1 120 THR H 1 121 LEU H 5.000 . 5.000 4.507 4.331 4.605 . 0 0 "[ . 1 . 2]" 1
1211 1 121 LEU HA 1 122 ILE H 2.900 . 2.900 2.197 2.169 2.267 . 0 0 "[ . 1 . 2]" 1
1212 1 121 LEU H 1 121 LEU QB 2.900 . 3.500 2.173 2.076 2.282 . 0 0 "[ . 1 . 2]" 1
1213 1 121 LEU QB 1 122 ILE H 5.000 . 6.000 3.417 3.112 3.557 . 0 0 "[ . 1 . 2]" 1
1214 1 121 LEU H 1 121 LEU QD 3.500 . 5.200 3.288 3.005 3.454 . 0 0 "[ . 1 . 2]" 1
1215 1 121 LEU QD 1 122 ILE H 3.500 . 5.900 1.605 1.573 1.787 0.227 11 0 "[ . 1 . 2]" 1
1216 1 121 LEU H 1 121 LEU HG 5.000 . 5.000 4.571 4.451 4.678 . 0 0 "[ . 1 . 2]" 1
1217 1 121 LEU HG 1 122 ILE H 5.000 . 5.000 4.146 4.067 4.286 . 0 0 "[ . 1 . 2]" 1
1218 1 121 LEU H 1 122 ILE H 5.000 . 5.000 4.592 4.557 4.617 . 0 0 "[ . 1 . 2]" 1
1219 1 122 ILE HA 1 123 SER H 3.500 . 3.500 3.540 3.535 3.544 0.044 7 0 "[ . 1 . 2]" 1
1220 1 122 ILE H 1 122 ILE HB 3.500 . 3.500 3.283 3.237 3.344 . 0 0 "[ . 1 . 2]" 1
1221 1 122 ILE HB 1 123 SER H 3.500 . 3.500 3.596 3.575 3.644 0.144 14 0 "[ . 1 . 2]" 1
1222 1 122 ILE HG13 1 123 SER H 3.500 . 3.500 3.504 3.434 3.539 0.039 3 0 "[ . 1 . 2]" 1
1223 1 122 ILE H 1 122 ILE HG12 5.000 . 5.000 4.406 4.275 4.530 . 0 0 "[ . 1 . 2]" 1
1224 1 122 ILE HG12 1 123 SER H 5.000 . 5.000 2.880 2.689 3.059 . 0 0 "[ . 1 . 2]" 1
1225 1 122 ILE H 1 122 ILE MG 2.900 . 4.400 1.742 1.657 1.808 0.143 9 0 "[ . 1 . 2]" 1
1226 1 122 ILE MG 1 123 SER H 2.900 . 4.400 1.530 1.473 1.571 0.327 14 0 "[ . 1 . 2]" 1
1227 1 122 ILE H 1 123 SER H 2.900 . 2.900 2.339 2.319 2.356 . 0 0 "[ . 1 . 2]" 1
1228 1 123 SER H 1 123 SER QB 3.500 . 4.100 2.801 2.531 3.213 . 0 0 "[ . 1 . 2]" 1
1229 1 123 SER QB 1 141 TRP HE1 5.000 . 6.000 3.633 3.309 4.053 . 0 0 "[ . 1 . 2]" 1
1230 1 123 SER H 1 141 TRP HA 5.000 . 5.000 4.475 4.367 4.718 . 0 0 "[ . 1 . 2]" 1
1231 1 124 MET QB 1 125 ASN H 5.000 . 6.000 2.013 1.406 3.685 0.394 12 0 "[ . 1 . 2]" 1
1232 1 124 MET QG 1 126 GLY H 5.000 . 6.000 5.185 4.725 5.395 . 0 0 "[ . 1 . 2]" 1
1233 1 124 MET H 1 125 ASN H 5.000 . 5.000 3.164 1.941 3.650 . 0 0 "[ . 1 . 2]" 1
1234 1 125 ASN HA 1 126 GLY H 2.900 . 2.900 2.763 2.665 2.869 . 0 0 "[ . 1 . 2]" 1
1235 1 125 ASN HA 1 127 ARG H 5.000 . 5.000 2.970 2.865 3.410 . 0 0 "[ . 1 . 2]" 1
1236 1 125 ASN QB 1 125 ASN HD22 3.500 . 4.500 3.495 3.364 3.544 . 0 0 "[ . 1 . 2]" 1
1237 1 125 ASN H 1 125 ASN QB 2.900 . 3.500 2.225 2.045 2.619 . 0 0 "[ . 1 . 2]" 1
1238 1 125 ASN QB 1 126 GLY H 5.000 . 6.000 3.903 3.837 3.974 . 0 0 "[ . 1 . 2]" 1
1239 1 125 ASN HD21 1 127 ARG HA 5.000 . 5.000 4.601 3.982 5.018 0.018 15 0 "[ . 1 . 2]" 1
1240 1 125 ASN H 1 126 GLY H 3.500 . 3.500 3.258 2.493 3.498 . 0 0 "[ . 1 . 2]" 1
1241 1 125 ASN H 1 127 ARG H 5.000 . 5.000 5.021 4.617 5.077 0.077 15 0 "[ . 1 . 2]" 1
1242 1 126 GLY QA 1 127 ARG H 3.500 . 4.500 2.877 2.713 2.923 . 0 0 "[ . 1 . 2]" 1
1243 1 126 GLY QA 1 129 GLU H 5.000 . 6.000 3.355 3.169 3.821 . 0 0 "[ . 1 . 2]" 1
1244 1 126 GLY QA 1 141 TRP HE1 5.000 . 6.000 2.237 1.616 2.773 0.184 9 0 "[ . 1 . 2]" 1
1245 1 126 GLY H 1 127 ARG H 2.900 . 2.900 2.815 2.673 2.915 0.015 10 0 "[ . 1 . 2]" 1
1246 1 126 GLY H 1 141 TRP HZ2 5.000 . 5.000 4.947 4.651 5.022 0.022 15 0 "[ . 1 . 2]" 1
1247 1 127 ARG H 1 127 ARG HA 2.900 . 2.900 2.759 2.714 2.909 0.009 10 0 "[ . 1 . 2]" 1
1248 1 127 ARG HA 1 128 GLY H 3.500 . 3.500 3.495 3.186 3.558 0.058 3 0 "[ . 1 . 2]" 1
1249 1 127 ARG HA 1 130 VAL H 3.500 . 3.500 3.609 3.407 3.675 0.175 5 0 "[ . 1 . 2]" 1
1250 1 127 ARG H 1 127 ARG QB 2.900 . 3.500 2.373 2.069 2.863 . 0 0 "[ . 1 . 2]" 1
1251 1 127 ARG QB 1 128 GLY H 2.900 . 3.900 2.182 1.676 3.495 0.124 17 0 "[ . 1 . 2]" 1
1252 1 127 ARG QG 1 128 GLY H 5.000 . 6.000 2.749 1.678 4.343 0.122 3 0 "[ . 1 . 2]" 1
1253 1 127 ARG H 1 128 GLY H 3.500 . 3.500 3.352 2.381 3.537 0.037 8 0 "[ . 1 . 2]" 1
1254 1 128 GLY QA 1 129 GLU H 2.900 . 3.900 2.755 2.456 2.841 . 0 0 "[ . 1 . 2]" 1
1255 1 128 GLY QA 1 131 GLN H 5.000 . 6.000 3.451 3.322 3.766 . 0 0 "[ . 1 . 2]" 1
1256 1 128 GLY H 1 129 GLU H 2.900 . 2.900 2.804 2.462 2.894 . 0 0 "[ . 1 . 2]" 1
1257 1 128 GLY H 1 130 VAL H 5.000 . 5.000 4.460 3.074 4.815 . 0 0 "[ . 1 . 2]" 1
1258 1 129 GLU H 1 129 GLU HA 2.900 . 2.900 2.814 2.793 2.864 . 0 0 "[ . 1 . 2]" 1
1259 1 129 GLU HA 1 130 VAL H 3.500 . 3.500 3.556 3.478 3.573 0.073 19 0 "[ . 1 . 2]" 1
1260 1 129 GLU HA 1 132 SER H 3.500 . 3.500 3.550 3.527 3.578 0.078 15 0 "[ . 1 . 2]" 1
1261 1 129 GLU HA 1 133 LEU H 5.000 . 5.000 3.838 3.356 4.305 . 0 0 "[ . 1 . 2]" 1
1262 1 129 GLU H 1 129 GLU QB 2.900 . 3.500 2.265 2.052 2.612 . 0 0 "[ . 1 . 2]" 1
1263 1 129 GLU QB 1 130 VAL H 3.500 . 4.500 2.488 2.316 2.911 . 0 0 "[ . 1 . 2]" 1
1264 1 129 GLU QB 1 141 TRP HE1 5.000 . 6.000 2.801 2.205 3.591 . 0 0 "[ . 1 . 2]" 1
1265 1 129 GLU H 1 129 GLU QG 2.900 . 3.900 2.936 1.869 3.583 . 0 0 "[ . 1 . 2]" 1
1266 1 129 GLU QG 1 141 TRP HE1 5.000 . 6.000 4.556 3.663 5.020 . 0 0 "[ . 1 . 2]" 1
1267 1 129 GLU H 1 130 VAL H 2.900 . 2.900 2.756 2.458 2.838 . 0 0 "[ . 1 . 2]" 1
1268 1 129 GLU H 1 131 GLN H 5.000 . 5.000 4.187 3.874 4.439 . 0 0 "[ . 1 . 2]" 1
1269 1 130 VAL H 1 130 VAL HA 2.900 . 2.900 2.849 2.830 2.864 . 0 0 "[ . 1 . 2]" 1
1270 1 130 VAL HA 1 131 GLN H 3.500 . 3.500 3.551 3.524 3.600 0.100 13 0 "[ . 1 . 2]" 1
1271 1 130 VAL HA 1 132 SER H 5.000 . 5.000 3.980 3.770 4.317 . 0 0 "[ . 1 . 2]" 1
1272 1 130 VAL HA 1 133 LEU H 3.500 . 3.500 3.515 3.391 3.577 0.077 2 0 "[ . 1 . 2]" 1
1273 1 130 VAL H 1 130 VAL HB 2.900 . 2.900 2.182 2.083 2.426 . 0 0 "[ . 1 . 2]" 1
1274 1 130 VAL H 1 130 VAL QG 2.900 . 4.600 2.723 2.272 2.917 . 0 0 "[ . 1 . 2]" 1
1275 1 130 VAL QG 1 131 GLN H 3.500 . 5.900 2.129 1.591 3.076 0.209 12 0 "[ . 1 . 2]" 1
1276 1 130 VAL QG 1 132 SER H 5.000 . 7.400 3.947 3.657 4.355 . 0 0 "[ . 1 . 2]" 1
1277 1 130 VAL QG 1 134 GLY H 3.500 . 5.900 3.741 3.529 4.038 . 0 0 "[ . 1 . 2]" 1
1278 1 130 VAL QG 1 137 ALA H 5.000 . 7.400 3.946 3.700 4.111 . 0 0 "[ . 1 . 2]" 1
1279 1 130 VAL H 1 131 GLN H 2.900 . 2.900 2.647 2.549 2.712 . 0 0 "[ . 1 . 2]" 1
1280 1 130 VAL H 1 132 SER H 5.000 . 5.000 3.721 3.637 3.838 . 0 0 "[ . 1 . 2]" 1
1281 1 130 VAL H 1 137 ALA MB 5.000 . 6.500 3.809 3.296 4.075 . 0 0 "[ . 1 . 2]" 1
1282 1 130 VAL H 1 141 TRP HD1 5.000 . 5.000 5.056 5.002 5.093 0.093 2 0 "[ . 1 . 2]" 1
1283 1 130 VAL H 1 141 TRP HZ2 5.000 . 5.000 3.864 3.487 4.781 . 0 0 "[ . 1 . 2]" 1
1284 1 131 GLN H 1 131 GLN HA 2.900 . 2.900 2.833 2.804 2.865 . 0 0 "[ . 1 . 2]" 1
1285 1 131 GLN HA 1 134 GLY H 3.500 . 3.500 3.525 3.505 3.553 0.053 10 0 "[ . 1 . 2]" 1
1286 1 131 GLN H 1 131 GLN QB 2.900 . 3.500 2.354 2.203 2.699 . 0 0 "[ . 1 . 2]" 1
1287 1 131 GLN QB 1 132 SER H 2.900 . 3.900 2.952 2.766 3.113 . 0 0 "[ . 1 . 2]" 1
1288 1 131 GLN H 1 131 GLN QG 2.900 . 3.900 2.527 1.848 3.299 . 0 0 "[ . 1 . 2]" 1
1289 1 131 GLN QG 1 132 SER H 5.000 . 6.000 4.264 3.705 4.636 . 0 0 "[ . 1 . 2]" 1
1290 1 131 GLN H 1 132 SER H 2.900 . 2.900 2.587 2.474 2.681 . 0 0 "[ . 1 . 2]" 1
1291 1 132 SER H 1 132 SER HA 2.900 . 2.900 2.889 2.867 2.910 0.010 18 0 "[ . 1 . 2]" 1
1292 1 132 SER HA 1 133 LEU H 5.000 . 5.000 3.566 3.556 3.575 . 0 0 "[ . 1 . 2]" 1
1293 1 132 SER H 1 132 SER QB 2.900 . 3.500 2.274 2.186 2.326 . 0 0 "[ . 1 . 2]" 1
1294 1 132 SER QB 1 133 LEU H 2.900 . 3.900 2.427 2.295 2.588 . 0 0 "[ . 1 . 2]" 1
1295 1 132 SER H 1 133 LEU H 2.900 . 2.900 2.531 2.459 2.624 . 0 0 "[ . 1 . 2]" 1
1296 1 132 SER H 1 134 GLY H 3.500 . 3.500 3.400 3.249 3.547 0.047 9 0 "[ . 1 . 2]" 1
1297 1 133 LEU H 1 133 LEU HA 2.900 . 2.900 2.925 2.908 2.955 0.055 2 0 "[ . 1 . 2]" 1
1298 1 133 LEU HA 1 134 GLY H 3.500 . 3.500 3.345 3.241 3.479 . 0 0 "[ . 1 . 2]" 1
1299 1 133 LEU H 1 133 LEU QB 2.900 . 3.500 2.235 2.144 3.099 . 0 0 "[ . 1 . 2]" 1
1300 1 133 LEU QB 1 134 GLY H 3.500 . 4.500 3.313 2.963 3.542 . 0 0 "[ . 1 . 2]" 1
1301 1 133 LEU QB 1 136 ARG H 3.500 . 4.500 3.741 3.614 3.775 . 0 0 "[ . 1 . 2]" 1
1302 1 133 LEU QB 1 137 ALA H 3.500 . 4.500 2.845 2.655 3.608 . 0 0 "[ . 1 . 2]" 1
1303 1 133 LEU H 1 133 LEU QD 2.900 . 4.600 3.493 1.657 3.642 0.143 2 0 "[ . 1 . 2]" 1
1304 1 133 LEU QD 1 134 GLY H 5.000 . 7.400 4.208 1.977 4.370 . 0 0 "[ . 1 . 2]" 1
1305 1 133 LEU QD 1 136 ARG H 3.500 . 5.900 4.159 3.569 4.270 . 0 0 "[ . 1 . 2]" 1
1306 1 133 LEU QD 1 140 ASN HD21 3.500 . 5.900 2.750 1.951 3.594 . 0 0 "[ . 1 . 2]" 1
1307 1 133 LEU QD 1 140 ASN HD22 3.500 . 5.900 2.539 1.632 3.677 0.168 5 0 "[ . 1 . 2]" 1
1308 1 133 LEU QD 1 140 ASN H 5.000 . 7.400 3.803 3.294 4.358 . 0 0 "[ . 1 . 2]" 1
1309 1 133 LEU H 1 134 GLY H 2.900 . 2.900 2.305 1.969 2.542 . 0 0 "[ . 1 . 2]" 1
1310 1 134 GLY QA 1 136 ARG H 5.000 . 6.000 3.250 3.163 3.407 . 0 0 "[ . 1 . 2]" 1
1311 1 135 PRO HA 1 136 ARG H 3.500 . 3.500 3.457 3.416 3.518 0.018 13 0 "[ . 1 . 2]" 1
1312 1 135 PRO HA 1 137 ALA H 5.000 . 5.000 3.542 3.400 3.691 . 0 0 "[ . 1 . 2]" 1
1313 1 135 PRO QB 1 136 ARG H 2.900 . 3.900 3.170 2.869 3.486 . 0 0 "[ . 1 . 2]" 1
1314 1 135 PRO QD 1 136 ARG H 3.500 . 4.500 2.784 2.647 2.950 . 0 0 "[ . 1 . 2]" 1
1315 1 136 ARG H 1 136 ARG HA 2.900 . 2.900 2.880 2.825 2.903 0.003 1 0 "[ . 1 . 2]" 1
1316 1 136 ARG HA 1 137 ALA H 3.500 . 3.500 3.344 3.304 3.406 . 0 0 "[ . 1 . 2]" 1
1317 1 136 ARG HA 1 138 PHE H 5.000 . 5.000 3.581 3.417 3.724 . 0 0 "[ . 1 . 2]" 1
1318 1 136 ARG HA 1 139 GLN H 5.000 . 5.000 4.356 4.237 4.522 . 0 0 "[ . 1 . 2]" 1
1319 1 136 ARG H 1 136 ARG QB 2.900 . 3.500 2.586 2.046 2.848 . 0 0 "[ . 1 . 2]" 1
1320 1 136 ARG QB 1 137 ALA H 3.500 . 4.500 3.323 3.096 3.442 . 0 0 "[ . 1 . 2]" 1
1321 1 136 ARG H 1 136 ARG QD 5.000 . 6.000 3.953 3.700 4.413 . 0 0 "[ . 1 . 2]" 1
1322 1 136 ARG H 1 136 ARG QG 2.900 . 3.900 2.325 1.738 3.557 0.062 13 0 "[ . 1 . 2]" 1
1323 1 136 ARG QG 1 137 ALA H 2.900 . 3.900 3.531 3.166 3.648 . 0 0 "[ . 1 . 2]" 1
1324 1 136 ARG QG 1 138 PHE H 5.000 . 6.000 4.960 4.308 5.193 . 0 0 "[ . 1 . 2]" 1
1325 1 136 ARG H 1 137 ALA H 2.900 . 2.900 2.426 2.334 2.600 . 0 0 "[ . 1 . 2]" 1
1326 1 136 ARG H 1 138 PHE H 5.000 . 5.000 4.267 4.141 4.381 . 0 0 "[ . 1 . 2]" 1
1327 1 137 ALA H 1 137 ALA HA 2.900 . 2.900 2.847 2.813 2.879 . 0 0 "[ . 1 . 2]" 1
1328 1 137 ALA HA 1 138 PHE H 3.500 . 3.500 3.460 3.414 3.483 . 0 0 "[ . 1 . 2]" 1
1329 1 137 ALA HA 1 139 GLN H 5.000 . 5.000 3.233 3.118 3.463 . 0 0 "[ . 1 . 2]" 1
1330 1 137 ALA H 1 137 ALA MB 2.900 . 4.000 2.178 2.073 2.247 . 0 0 "[ . 1 . 2]" 1
1331 1 137 ALA MB 1 138 PHE H 2.900 . 4.400 2.883 2.809 3.025 . 0 0 "[ . 1 . 2]" 1
1332 1 137 ALA MB 1 141 TRP HE1 3.500 . 5.000 4.046 3.826 4.127 . 0 0 "[ . 1 . 2]" 1
1333 1 137 ALA H 1 138 PHE H 2.900 . 2.900 2.526 2.449 2.642 . 0 0 "[ . 1 . 2]" 1
1334 1 137 ALA H 1 139 GLN H 5.000 . 5.000 4.346 4.271 4.465 . 0 0 "[ . 1 . 2]" 1
1335 1 138 PHE H 1 138 PHE HA 2.900 . 2.900 2.695 2.688 2.712 . 0 0 "[ . 1 . 2]" 1
1336 1 138 PHE HA 1 139 GLN H 3.500 . 3.500 3.456 3.426 3.496 . 0 0 "[ . 1 . 2]" 1
1337 1 138 PHE HA 1 142 ALA H 5.000 . 5.000 3.863 3.621 4.268 . 0 0 "[ . 1 . 2]" 1
1338 1 138 PHE H 1 138 PHE QB 2.900 . 3.500 2.278 2.258 2.301 . 0 0 "[ . 1 . 2]" 1
1339 1 138 PHE QB 1 139 GLN H 2.900 . 3.900 2.991 2.800 3.097 . 0 0 "[ . 1 . 2]" 1
1340 1 138 PHE H 1 138 PHE QD 3.500 . 5.500 4.171 4.106 4.205 . 0 0 "[ . 1 . 2]" 1
1341 1 138 PHE QD 1 139 GLN H 3.500 . 5.500 3.684 3.147 4.244 . 0 0 "[ . 1 . 2]" 1
1342 1 138 PHE QD 1 142 ALA H 5.000 . 7.000 4.648 4.032 4.852 . 0 0 "[ . 1 . 2]" 1
1343 1 138 PHE QE 1 142 ALA H 5.000 . 7.000 5.241 4.523 5.582 . 0 0 "[ . 1 . 2]" 1
1344 1 138 PHE H 1 139 GLN H 2.900 . 2.900 2.875 2.843 2.906 0.006 2 0 "[ . 1 . 2]" 1
1345 1 138 PHE H 1 140 ASN H 5.000 . 5.000 4.597 4.243 4.849 . 0 0 "[ . 1 . 2]" 1
1346 1 139 GLN H 1 139 GLN HA 2.900 . 2.900 2.861 2.825 2.884 . 0 0 "[ . 1 . 2]" 1
1347 1 139 GLN HA 1 140 ASN H 3.500 . 3.500 3.549 3.505 3.564 0.064 4 0 "[ . 1 . 2]" 1
1348 1 139 GLN HA 1 141 TRP H 5.000 . 5.000 4.505 4.284 4.675 . 0 0 "[ . 1 . 2]" 1
1349 1 139 GLN HA 1 142 ALA H 3.500 . 3.500 3.504 3.403 3.537 0.037 7 0 "[ . 1 . 2]" 1
1350 1 139 GLN HA 1 143 ARG H 5.000 . 5.000 4.085 3.849 4.467 . 0 0 "[ . 1 . 2]" 1
1351 1 139 GLN H 1 139 GLN QB 2.900 . 3.500 2.325 2.050 2.637 . 0 0 "[ . 1 . 2]" 1
1352 1 139 GLN QB 1 140 ASN H 2.900 . 3.900 2.798 2.289 3.413 . 0 0 "[ . 1 . 2]" 1
1353 1 139 GLN QB 1 141 TRP H 5.000 . 6.000 4.702 4.277 5.191 . 0 0 "[ . 1 . 2]" 1
1354 1 139 GLN HE22 1 139 GLN QG 3.500 . 4.500 3.355 3.270 3.541 . 0 0 "[ . 1 . 2]" 1
1355 1 139 GLN H 1 139 GLN QG 2.900 . 3.900 2.487 1.806 3.513 . 0 0 "[ . 1 . 2]" 1
1356 1 139 GLN QG 1 140 ASN H 3.500 . 4.500 2.995 1.636 4.125 0.164 11 0 "[ . 1 . 2]" 1
1357 1 139 GLN H 1 140 ASN H 2.900 . 2.900 2.590 2.528 2.708 . 0 0 "[ . 1 . 2]" 1
1358 1 139 GLN H 1 141 TRP H 5.000 . 5.000 3.770 3.582 4.086 . 0 0 "[ . 1 . 2]" 1
1359 1 139 GLN H 1 142 ALA H 5.000 . 5.000 4.359 4.173 4.721 . 0 0 "[ . 1 . 2]" 1
1360 1 140 ASN H 1 140 ASN HA 2.900 . 2.900 2.862 2.827 2.879 . 0 0 "[ . 1 . 2]" 1
1361 1 140 ASN HA 1 141 TRP H 3.500 . 3.500 3.517 3.488 3.534 0.034 13 0 "[ . 1 . 2]" 1
1362 1 140 ASN HA 1 142 ALA H 5.000 . 5.000 3.917 3.816 4.106 . 0 0 "[ . 1 . 2]" 1
1363 1 140 ASN HA 1 143 ARG H 3.500 . 3.500 3.164 3.013 3.269 . 0 0 "[ . 1 . 2]" 1
1364 1 140 ASN H 1 140 ASN QB 2.900 . 3.500 2.383 2.076 2.846 . 0 0 "[ . 1 . 2]" 1
1365 1 140 ASN QB 1 141 TRP H 2.900 . 3.900 2.652 2.467 2.779 . 0 0 "[ . 1 . 2]" 1
1366 1 140 ASN H 1 141 TRP H 2.900 . 2.900 2.487 2.422 2.620 . 0 0 "[ . 1 . 2]" 1
1367 1 140 ASN H 1 142 ALA H 5.000 . 5.000 3.731 3.645 3.857 . 0 0 "[ . 1 . 2]" 1
1368 1 141 TRP H 1 141 TRP HA 2.900 . 2.900 2.864 2.825 2.901 0.001 14 0 "[ . 1 . 2]" 1
1369 1 141 TRP HA 1 142 ALA H 3.500 . 3.500 3.447 3.412 3.492 . 0 0 "[ . 1 . 2]" 1
1370 1 141 TRP H 1 141 TRP QB 2.900 . 3.500 2.170 2.132 2.236 . 0 0 "[ . 1 . 2]" 1
1371 1 141 TRP QB 1 142 ALA H 2.900 . 3.900 3.011 2.850 3.108 . 0 0 "[ . 1 . 2]" 1
1372 1 141 TRP H 1 141 TRP HD1 2.900 . 2.900 2.840 2.579 2.937 0.037 4 0 "[ . 1 . 2]" 1
1373 1 141 TRP H 1 142 ALA H 2.900 . 2.900 2.474 2.335 2.584 . 0 0 "[ . 1 . 2]" 1
1374 1 142 ALA H 1 142 ALA HA 2.900 . 2.900 2.940 2.938 2.943 0.043 2 0 "[ . 1 . 2]" 1
1375 1 142 ALA HA 1 143 ARG H 2.900 . 2.900 3.136 3.130 3.143 0.243 10 0 "[ . 1 . 2]" 1
1376 1 142 ALA H 1 142 ALA MB 2.900 . 4.000 2.498 2.377 2.547 . 0 0 "[ . 1 . 2]" 1
1377 1 142 ALA MB 1 143 ARG H 2.900 . 4.400 3.365 3.353 3.382 . 0 0 "[ . 1 . 2]" 1
1378 1 142 ALA H 1 143 ARG HA 5.000 . 5.000 4.166 4.048 4.346 . 0 0 "[ . 1 . 2]" 1
1379 1 142 ALA H 1 143 ARG H 2.900 . 2.900 2.018 1.948 2.120 . 0 0 "[ . 1 . 2]" 1
1380 1 143 ARG H 1 143 ARG HA 2.900 . 2.900 2.544 2.305 2.820 . 0 0 "[ . 1 . 2]" 1
1381 1 143 ARG H 1 143 ARG QB 2.900 . 3.500 2.570 2.087 3.107 . 0 0 "[ . 1 . 2]" 1
1382 1 143 ARG H 1 143 ARG QD 3.500 . 4.500 3.955 3.399 4.090 . 0 0 "[ . 1 . 2]" 1
1383 1 143 ARG H 1 143 ARG QG 2.900 . 3.900 2.821 2.164 3.392 . 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 76
_Distance_constraint_stats_list.Viol_count 440
_Distance_constraint_stats_list.Viol_total 250.159
_Distance_constraint_stats_list.Viol_max 0.226
_Distance_constraint_stats_list.Viol_rms 0.0192
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0284
_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 9 LEU 0.283 0.035 1 0 "[ . 1 . 2]"
1 11 LYS 1.260 0.073 5 0 "[ . 1 . 2]"
1 15 CYS 1.260 0.073 5 0 "[ . 1 . 2]"
1 17 VAL 0.283 0.035 1 0 "[ . 1 . 2]"
1 28 ILE 0.043 0.016 8 0 "[ . 1 . 2]"
1 29 ILE 0.198 0.071 7 0 "[ . 1 . 2]"
1 30 GLY 0.490 0.039 10 0 "[ . 1 . 2]"
1 31 PHE 0.401 0.041 16 0 "[ . 1 . 2]"
1 32 TYR 1.002 0.102 7 0 "[ . 1 . 2]"
1 33 PHE 0.840 0.071 11 0 "[ . 1 . 2]"
1 47 ILE 0.847 0.104 3 0 "[ . 1 . 2]"
1 48 LEU 0.536 0.073 8 0 "[ . 1 . 2]"
1 49 ALA 1.241 0.098 6 0 "[ . 1 . 2]"
1 50 ASP 0.693 0.060 8 0 "[ . 1 . 2]"
1 51 MET 0.847 0.104 3 0 "[ . 1 . 2]"
1 52 TYR 0.621 0.073 8 0 "[ . 1 . 2]"
1 53 SER 1.270 0.098 6 0 "[ . 1 . 2]"
1 54 GLU 1.822 0.067 9 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.084 0.025 19 0 "[ . 1 . 2]"
1 57 ASP 0.029 0.013 13 0 "[ . 1 . 2]"
1 58 ASP 1.130 0.067 9 0 "[ . 1 . 2]"
1 63 GLU 0.303 0.039 10 0 "[ . 1 . 2]"
1 65 ILE 1.233 0.102 7 0 "[ . 1 . 2]"
1 73 GLU 0.321 0.034 19 0 "[ . 1 . 2]"
1 74 ASP 0.054 0.031 17 0 "[ . 1 . 2]"
1 75 ASP 0.006 0.006 1 0 "[ . 1 . 2]"
1 76 MET 0.228 0.036 13 0 "[ . 1 . 2]"
1 77 PHE 0.349 0.034 19 0 "[ . 1 . 2]"
1 78 GLN 0.071 0.031 17 0 "[ . 1 . 2]"
1 79 TYR 0.006 0.006 1 0 "[ . 1 . 2]"
1 80 MET 0.228 0.036 13 0 "[ . 1 . 2]"
1 81 MET 0.028 0.016 17 0 "[ . 1 . 2]"
1 82 GLU 0.016 0.016 19 0 "[ . 1 . 2]"
1 97 ALA 0.745 0.051 5 0 "[ . 1 . 2]"
1 98 SER 0.184 0.033 9 0 "[ . 1 . 2]"
1 99 ASN 0.089 0.019 15 0 "[ . 1 . 2]"
1 100 VAL 0.023 0.009 11 0 "[ . 1 . 2]"
1 101 THR 0.745 0.051 5 0 "[ . 1 . 2]"
1 102 ALA 0.184 0.033 9 0 "[ . 1 . 2]"
1 103 LYS 0.089 0.019 15 0 "[ . 1 . 2]"
1 104 TYR 0.023 0.009 11 0 "[ . 1 . 2]"
1 111 ALA 0.840 0.071 11 0 "[ . 1 . 2]"
1 113 VAL 0.401 0.041 16 0 "[ . 1 . 2]"
1 115 VAL 0.198 0.071 7 0 "[ . 1 . 2]"
1 126 GLY 0.409 0.073 5 0 "[ . 1 . 2]"
1 127 ARG 0.709 0.226 10 0 "[ . 1 . 2]"
1 128 GLY 0.251 0.036 6 0 "[ . 1 . 2]"
1 129 GLU 0.083 0.036 2 0 "[ . 1 . 2]"
1 130 VAL 0.409 0.073 5 0 "[ . 1 . 2]"
1 131 GLN 0.709 0.226 10 0 "[ . 1 . 2]"
1 132 SER 0.251 0.036 6 0 "[ . 1 . 2]"
1 133 LEU 0.083 0.036 2 0 "[ . 1 . 2]"
1 137 ALA 0.070 0.041 2 0 "[ . 1 . 2]"
1 138 PHE 0.214 0.041 2 0 "[ . 1 . 2]"
1 141 TRP 0.070 0.041 2 0 "[ . 1 . 2]"
1 142 ALA 0.214 0.041 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LEU O 1 17 VAL H 2.200 . 2.200 1.860 1.779 2.070 0.021 19 0 "[ . 1 . 2]" 2
2 1 9 LEU O 1 17 VAL N 3.300 2.200 3.300 2.785 2.636 2.968 . 0 0 "[ . 1 . 2]" 2
3 1 9 LEU H 1 17 VAL O 2.200 . 2.200 1.880 1.765 2.141 0.035 1 0 "[ . 1 . 2]" 2
4 1 9 LEU N 1 17 VAL O 3.300 2.200 3.300 2.629 2.404 3.058 . 0 0 "[ . 1 . 2]" 2
5 1 11 LYS O 1 15 CYS H 2.200 . 2.200 2.251 2.218 2.273 0.073 5 0 "[ . 1 . 2]" 2
6 1 11 LYS O 1 15 CYS N 3.300 2.200 3.300 3.087 3.009 3.192 . 0 0 "[ . 1 . 2]" 2
7 1 11 LYS H 1 15 CYS O 2.200 . 2.200 1.808 1.775 2.129 0.025 13 0 "[ . 1 . 2]" 2
8 1 11 LYS N 1 15 CYS O 3.300 2.200 3.300 2.652 2.490 2.740 . 0 0 "[ . 1 . 2]" 2
9 1 29 ILE O 1 115 VAL H 2.200 . 2.200 2.036 1.795 2.271 0.071 7 0 "[ . 1 . 2]" 2
10 1 29 ILE O 1 115 VAL N 3.300 2.200 3.300 2.964 2.726 3.182 . 0 0 "[ . 1 . 2]" 2
11 1 29 ILE H 1 115 VAL O 2.200 . 2.200 1.875 1.763 2.039 0.037 7 0 "[ . 1 . 2]" 2
12 1 29 ILE N 1 115 VAL O 3.300 2.200 3.300 2.757 2.657 2.861 . 0 0 "[ . 1 . 2]" 2
13 1 31 PHE O 1 113 VAL H 2.200 . 2.200 1.826 1.776 1.955 0.024 19 0 "[ . 1 . 2]" 2
14 1 31 PHE O 1 113 VAL N 3.300 2.200 3.300 2.773 2.688 2.919 . 0 0 "[ . 1 . 2]" 2
15 1 31 PHE H 1 113 VAL O 2.200 . 2.200 1.812 1.759 2.082 0.041 16 0 "[ . 1 . 2]" 2
16 1 31 PHE N 1 113 VAL O 3.300 2.200 3.300 2.605 2.525 2.720 . 0 0 "[ . 1 . 2]" 2
17 1 33 PHE O 1 111 ALA H 2.200 . 2.200 2.239 2.219 2.271 0.071 11 0 "[ . 1 . 2]" 2
18 1 33 PHE O 1 111 ALA N 3.300 2.200 3.300 3.197 3.172 3.231 . 0 0 "[ . 1 . 2]" 2
19 1 33 PHE H 1 111 ALA O 2.200 . 2.200 2.167 2.059 2.223 0.023 7 0 "[ . 1 . 2]" 2
20 1 33 PHE N 1 111 ALA O 3.300 2.200 3.300 3.074 2.975 3.144 . 0 0 "[ . 1 . 2]" 2
21 1 28 ILE O 1 63 GLU H 2.200 . 2.200 2.114 1.898 2.216 0.016 8 0 "[ . 1 . 2]" 2
22 1 28 ILE O 1 63 GLU N 3.300 2.200 3.300 3.008 2.821 3.121 . 0 0 "[ . 1 . 2]" 2
23 1 30 GLY H 1 63 GLU O 2.200 . 2.200 1.844 1.761 2.025 0.039 10 0 "[ . 1 . 2]" 2
24 1 30 GLY N 1 63 GLU O 3.300 2.200 3.300 2.705 2.473 2.986 . 0 0 "[ . 1 . 2]" 2
25 1 30 GLY O 1 65 ILE H 2.200 . 2.200 1.794 1.767 1.853 0.033 8 0 "[ . 1 . 2]" 2
26 1 30 GLY O 1 65 ILE N 3.300 2.200 3.300 2.693 2.537 2.828 . 0 0 "[ . 1 . 2]" 2
27 1 32 TYR H 1 65 ILE O 2.200 . 2.200 2.250 2.209 2.302 0.102 7 0 "[ . 1 . 2]" 2
28 1 32 TYR N 1 65 ILE O 3.300 2.200 3.300 3.206 3.139 3.270 . 0 0 "[ . 1 . 2]" 2
29 1 47 ILE O 1 51 MET H 2.200 . 2.200 2.242 2.212 2.304 0.104 3 0 "[ . 1 . 2]" 2
30 1 47 ILE O 1 51 MET N 3.300 2.200 3.300 3.066 3.012 3.177 . 0 0 "[ . 1 . 2]" 2
31 1 48 LEU O 1 52 TYR H 2.200 . 2.200 1.801 1.727 1.970 0.073 8 0 "[ . 1 . 2]" 2
32 1 48 LEU O 1 52 TYR N 3.300 2.200 3.300 2.778 2.704 2.949 . 0 0 "[ . 1 . 2]" 2
33 1 49 ALA O 1 53 SER H 2.200 . 2.200 2.262 2.240 2.298 0.098 6 0 "[ . 1 . 2]" 2
34 1 49 ALA O 1 53 SER N 3.300 2.200 3.300 2.980 2.932 3.046 . 0 0 "[ . 1 . 2]" 2
35 1 50 ASP O 1 54 GLU H 2.200 . 2.200 2.233 2.173 2.260 0.060 8 0 "[ . 1 . 2]" 2
36 1 50 ASP O 1 54 GLU N 3.300 2.200 3.300 3.123 3.000 3.169 . 0 0 "[ . 1 . 2]" 2
37 1 51 MET O 1 55 LEU H 2.200 . 2.200 1.993 1.899 2.051 . 0 0 "[ . 1 . 2]" 2
38 1 51 MET O 1 55 LEU N 3.300 2.200 3.300 2.959 2.865 3.018 . 0 0 "[ . 1 . 2]" 2
39 1 52 TYR O 1 56 VAL H 2.200 . 2.200 1.827 1.775 1.958 0.025 19 0 "[ . 1 . 2]" 2
40 1 52 TYR O 1 56 VAL N 3.300 2.200 3.300 2.672 2.577 2.811 . 0 0 "[ . 1 . 2]" 2
41 1 53 SER O 1 57 ASP H 2.200 . 2.200 2.100 1.956 2.213 0.013 13 0 "[ . 1 . 2]" 2
42 1 53 SER O 1 57 ASP N 3.300 2.200 3.300 3.030 2.892 3.169 . 0 0 "[ . 1 . 2]" 2
43 1 54 GLU O 1 58 ASP H 2.200 . 2.200 2.256 2.241 2.267 0.067 9 0 "[ . 1 . 2]" 2
44 1 54 GLU O 1 58 ASP N 3.300 2.200 3.300 3.081 3.011 3.129 . 0 0 "[ . 1 . 2]" 2
45 1 73 GLU O 1 77 PHE H 2.200 . 2.200 2.216 2.192 2.234 0.034 19 0 "[ . 1 . 2]" 2
46 1 73 GLU O 1 77 PHE N 3.300 2.200 3.300 3.191 3.173 3.219 . 0 0 "[ . 1 . 2]" 2
47 1 74 ASP O 1 78 GLN H 2.200 . 2.200 1.920 1.769 2.200 0.031 17 0 "[ . 1 . 2]" 2
48 1 74 ASP O 1 78 GLN N 3.300 2.200 3.300 2.717 2.566 2.957 . 0 0 "[ . 1 . 2]" 2
49 1 75 ASP O 1 79 TYR H 2.200 . 2.200 2.061 1.891 2.206 0.006 1 0 "[ . 1 . 2]" 2
50 1 75 ASP O 1 79 TYR N 3.300 2.200 3.300 2.978 2.782 3.123 . 0 0 "[ . 1 . 2]" 2
51 1 76 MET O 1 80 MET H 2.200 . 2.200 2.194 1.926 2.236 0.036 13 0 "[ . 1 . 2]" 2
52 1 76 MET O 1 80 MET N 3.300 2.200 3.300 2.995 2.723 3.122 . 0 0 "[ . 1 . 2]" 2
53 1 77 PHE O 1 81 MET H 2.200 . 2.200 2.012 1.801 2.216 0.016 17 0 "[ . 1 . 2]" 2
54 1 77 PHE O 1 81 MET N 3.300 2.200 3.300 2.904 2.693 3.078 . 0 0 "[ . 1 . 2]" 2
55 1 78 GLN O 1 82 GLU H 2.200 . 2.200 2.017 1.834 2.216 0.016 19 0 "[ . 1 . 2]" 2
56 1 78 GLN O 1 82 GLU N 3.300 2.200 3.300 2.801 2.533 2.962 . 0 0 "[ . 1 . 2]" 2
57 1 97 ALA O 1 101 THR H 2.200 . 2.200 2.237 2.224 2.251 0.051 5 0 "[ . 1 . 2]" 2
58 1 97 ALA O 1 101 THR N 3.300 2.200 3.300 3.165 3.121 3.204 . 0 0 "[ . 1 . 2]" 2
59 1 98 SER O 1 102 ALA H 2.200 . 2.200 1.791 1.767 1.800 0.033 9 0 "[ . 1 . 2]" 2
60 1 98 SER O 1 102 ALA N 3.300 2.200 3.300 2.763 2.737 2.775 . 0 0 "[ . 1 . 2]" 2
61 1 99 ASN O 1 103 LYS H 2.200 . 2.200 1.808 1.781 1.854 0.019 15 0 "[ . 1 . 2]" 2
62 1 99 ASN O 1 103 LYS N 3.300 2.200 3.300 2.401 2.340 2.478 . 0 0 "[ . 1 . 2]" 2
63 1 100 VAL O 1 104 TYR H 2.200 . 2.200 2.069 1.840 2.209 0.009 11 0 "[ . 1 . 2]" 2
64 1 100 VAL O 1 104 TYR N 3.300 2.200 3.300 2.930 2.747 3.055 . 0 0 "[ . 1 . 2]" 2
65 1 126 GLY O 1 130 VAL H 2.200 . 2.200 1.862 1.727 2.249 0.073 5 0 "[ . 1 . 2]" 2
66 1 126 GLY O 1 130 VAL N 3.300 2.200 3.300 2.764 2.685 3.033 . 0 0 "[ . 1 . 2]" 2
67 1 127 ARG O 1 131 GLN H 2.200 . 2.200 2.088 1.869 2.426 0.226 10 0 "[ . 1 . 2]" 2
68 1 127 ARG O 1 131 GLN N 3.300 2.200 3.300 3.028 2.841 3.320 0.020 13 0 "[ . 1 . 2]" 2
69 1 128 GLY O 1 132 SER H 2.200 . 2.200 1.836 1.764 2.126 0.036 6 0 "[ . 1 . 2]" 2
70 1 128 GLY O 1 132 SER N 3.300 2.200 3.300 2.503 2.319 3.014 . 0 0 "[ . 1 . 2]" 2
71 1 129 GLU O 1 133 LEU H 2.200 . 2.200 1.888 1.782 2.236 0.036 2 0 "[ . 1 . 2]" 2
72 1 129 GLU O 1 133 LEU N 3.300 2.200 3.300 2.837 2.662 3.143 . 0 0 "[ . 1 . 2]" 2
73 1 137 ALA O 1 141 TRP H 2.200 . 2.200 1.914 1.759 2.211 0.041 2 0 "[ . 1 . 2]" 2
74 1 137 ALA O 1 141 TRP N 3.300 2.200 3.300 2.867 2.699 3.133 . 0 0 "[ . 1 . 2]" 2
75 1 138 PHE O 1 142 ALA H 2.200 . 2.200 2.198 2.111 2.241 0.041 2 0 "[ . 1 . 2]" 2
76 1 138 PHE O 1 142 ALA N 3.300 2.200 3.300 2.772 2.636 2.940 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 1:06:23 AM GMT (wattos1)