NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409093 |
1z8r   |
6613 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z8r
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 1040
_Distance_constraint_stats_list.Viol_count 2121
_Distance_constraint_stats_list.Viol_total 1068.040
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0296
_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 24 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 25 ALA 0.078 0.014 10 0 "[ . 1 . ]"
1 26 VAL 0.332 0.027 9 0 "[ . 1 . ]"
1 27 TYR 0.104 0.022 1 0 "[ . 1 . ]"
1 28 VAL 1.841 0.062 16 0 "[ . 1 . ]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 31 TYR 7.170 0.121 14 0 "[ . 1 . ]"
1 32 LYS 0.332 0.028 12 0 "[ . 1 . ]"
1 33 VAL 1.991 0.054 11 0 "[ . 1 . ]"
1 34 VAL 0.842 0.054 11 0 "[ . 1 . ]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 37 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 38 LEU 0.286 0.037 6 0 "[ . 1 . ]"
1 39 ALA 2.790 0.132 14 0 "[ . 1 . ]"
1 40 THR 0.135 0.036 11 0 "[ . 1 . ]"
1 41 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 42 VAL 0.076 0.013 8 0 "[ . 1 . ]"
1 43 ASP 3.461 0.161 7 0 "[ . 1 . ]"
1 44 TRP 5.878 0.161 7 0 "[ . 1 . ]"
1 45 GLN 0.076 0.013 8 0 "[ . 1 . ]"
1 46 ASN 0.029 0.009 14 0 "[ . 1 . ]"
1 47 CYS 0.035 0.017 7 0 "[ . 1 . ]"
1 48 VAL 2.337 0.054 3 0 "[ . 1 . ]"
1 49 TRP 1.196 0.108 8 0 "[ . 1 . ]"
1 50 GLU 0.143 0.020 13 0 "[ . 1 . ]"
1 51 ASP 0.040 0.017 10 0 "[ . 1 . ]"
1 52 TYR 0.040 0.017 10 0 "[ . 1 . ]"
1 53 ASN 1.087 0.156 9 0 "[ . 1 . ]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 56 LEU 1.247 0.108 8 0 "[ . 1 . ]"
1 57 LEU 3.033 0.098 10 0 "[ . 1 . ]"
1 58 VAL 5.618 0.105 4 0 "[ . 1 . ]"
1 59 SER 0.353 0.039 11 0 "[ . 1 . ]"
1 60 THR 3.105 0.121 14 0 "[ . 1 . ]"
1 61 THR 0.901 0.044 15 0 "[ . 1 . ]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 63 ALA 0.022 0.016 16 0 "[ . 1 . ]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 65 GLY 0.044 0.022 1 0 "[ . 1 . ]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 67 ASP 0.175 0.030 10 0 "[ . 1 . ]"
1 68 THR 0.141 0.017 3 0 "[ . 1 . ]"
1 69 ILE 5.439 0.092 14 0 "[ . 1 . ]"
1 70 ALA 0.199 0.033 2 0 "[ . 1 . ]"
1 72 CYS 0.490 0.046 8 0 "[ . 1 . ]"
1 73 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 74 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 75 THR 0.219 0.028 6 0 "[ . 1 . ]"
1 76 THR 0.071 0.026 6 0 "[ . 1 . ]"
1 77 GLY 0.210 0.038 5 0 "[ . 1 . ]"
1 78 VAL 1.163 0.064 10 0 "[ . 1 . ]"
1 79 TYR 0.704 0.072 8 0 "[ . 1 . ]"
1 84 LYS 0.548 0.092 7 0 "[ . 1 . ]"
1 85 SER 0.007 0.007 5 0 "[ . 1 . ]"
1 86 LYS 0.841 0.177 7 0 "[ . 1 . ]"
1 87 HIS 0.292 0.043 15 0 "[ . 1 . ]"
1 88 TYR 1.733 0.177 7 0 "[ . 1 . ]"
1 89 PRO 0.723 0.060 8 0 "[ . 1 . ]"
1 90 VAL 4.397 0.122 10 0 "[ . 1 . ]"
1 91 SER 0.079 0.026 6 0 "[ . 1 . ]"
1 92 PHE 1.989 0.060 6 0 "[ . 1 . ]"
1 93 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 95 PRO 0.418 0.037 7 0 "[ . 1 . ]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 97 LEU 3.073 0.132 17 0 "[ . 1 . ]"
1 98 VAL 2.403 0.140 16 0 "[ . 1 . ]"
1 99 GLU 0.327 0.038 15 0 "[ . 1 . ]"
1 100 VAL 0.399 0.066 12 0 "[ . 1 . ]"
1 101 GLN 0.109 0.037 7 0 "[ . 1 . ]"
1 102 GLU 0.356 0.087 12 0 "[ . 1 . ]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 104 GLU 0.558 0.043 16 0 "[ . 1 . ]"
1 105 TYR 0.237 0.061 12 0 "[ . 1 . ]"
1 106 TYR 0.292 0.033 2 0 "[ . 1 . ]"
1 107 PRO 0.118 0.033 2 0 "[ . 1 . ]"
1 108 LYS 0.040 0.037 7 0 "[ . 1 . ]"
1 109 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 110 TYR 1.846 0.079 15 0 "[ . 1 . ]"
1 111 GLN 0.465 0.047 17 0 "[ . 1 . ]"
1 112 SER 1.125 0.156 9 0 "[ . 1 . ]"
1 113 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 114 VAL 4.760 0.140 16 0 "[ . 1 . ]"
1 115 LEU 0.638 0.038 10 0 "[ . 1 . ]"
1 116 LEU 2.256 0.115 9 0 "[ . 1 . ]"
1 117 ALA 3.180 0.122 10 0 "[ . 1 . ]"
1 118 THR 1.044 0.081 5 0 "[ . 1 . ]"
1 119 GLY 0.596 0.037 7 0 "[ . 1 . ]"
1 120 PHE 0.005 0.005 1 0 "[ . 1 . ]"
1 121 SER 0.005 0.005 1 0 "[ . 1 . ]"
1 122 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 129 ILE 0.327 0.027 9 0 "[ . 1 . ]"
1 130 LEU 0.641 0.042 17 0 "[ . 1 . ]"
1 131 ARG 0.008 0.008 17 0 "[ . 1 . ]"
1 132 CYS 0.112 0.054 1 0 "[ . 1 . ]"
1 133 GLU 0.006 0.006 14 0 "[ . 1 . ]"
1 134 HIS 0.158 0.029 10 0 "[ . 1 . ]"
1 135 GLY 1.024 0.092 14 0 "[ . 1 . ]"
1 136 VAL 2.477 0.084 3 0 "[ . 1 . ]"
1 137 ILE 2.196 0.102 1 0 "[ . 1 . ]"
1 138 GLY 0.061 0.021 15 0 "[ . 1 . ]"
1 139 LEU 0.054 0.033 14 0 "[ . 1 . ]"
1 140 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 141 THR 1.036 0.083 2 0 "[ . 1 . ]"
1 142 MET 4.157 0.135 2 0 "[ . 1 . ]"
1 143 GLY 0.059 0.027 4 0 "[ . 1 . ]"
1 144 GLY 0.197 0.036 4 0 "[ . 1 . ]"
1 145 GLU 0.141 0.036 4 0 "[ . 1 . ]"
1 146 GLY 0.099 0.045 4 0 "[ . 1 . ]"
1 147 VAL 1.000 0.064 5 0 "[ . 1 . ]"
1 148 VAL 2.058 0.082 5 0 "[ . 1 . ]"
1 149 GLY 1.038 0.115 9 0 "[ . 1 . ]"
1 150 PHE 0.463 0.040 15 0 "[ . 1 . ]"
1 151 ALA 0.812 0.083 2 0 "[ . 1 . ]"
1 152 ASP 0.016 0.011 2 0 "[ . 1 . ]"
1 153 VAL 1.186 0.060 15 0 "[ . 1 . ]"
1 154 ARG 0.805 0.102 1 0 "[ . 1 . ]"
1 155 ASP 0.779 0.074 13 0 "[ . 1 . ]"
1 156 LEU 3.426 0.127 11 0 "[ . 1 . ]"
1 157 LEU 3.111 0.127 11 0 "[ . 1 . ]"
1 158 TRP 1.108 0.040 13 0 "[ . 1 . ]"
1 159 LEU 3.198 0.077 3 0 "[ . 1 . ]"
1 160 GLU 0.111 0.035 2 0 "[ . 1 . ]"
1 161 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 162 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 163 ALA 0.490 0.046 8 0 "[ . 1 . ]"
1 164 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 165 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 166 GLN 0.000 0.000 . 0 "[ . 1 . ]"
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 1 114 VAL MG1 1 116 LEU MD2 5.000 . 5.000 4.534 4.427 4.623 . 0 0 "[ . 1 . ]" 1
2 1 114 VAL MG2 1 116 LEU MD1 5.000 . 5.000 4.033 3.802 4.199 . 0 0 "[ . 1 . ]" 1
3 1 69 ILE MD 1 153 VAL MG1 5.000 . 5.000 1.959 1.791 2.419 0.009 15 0 "[ . 1 . ]" 1
4 1 69 ILE MD 1 153 VAL MG2 5.000 . 5.000 2.823 2.571 3.057 . 0 0 "[ . 1 . ]" 1
5 1 57 LEU HG 1 58 VAL HA 5.000 . 5.000 5.065 5.014 5.098 0.098 10 0 "[ . 1 . ]" 1
6 1 136 VAL MG1 1 153 VAL MG1 5.000 . 5.000 4.385 3.948 4.804 . 0 0 "[ . 1 . ]" 1
7 1 136 VAL MG1 1 153 VAL MG2 5.000 . 5.000 2.992 2.768 3.280 . 0 0 "[ . 1 . ]" 1
8 1 136 VAL MG2 1 153 VAL MG2 5.000 . 5.000 4.982 4.804 5.060 0.060 15 0 "[ . 1 . ]" 1
9 1 90 VAL MG1 1 118 THR MG 5.000 . 5.000 4.552 3.731 5.081 0.081 5 0 "[ . 1 . ]" 1
10 1 90 VAL HA 1 117 ALA MB 5.000 . 5.000 4.347 4.159 4.595 . 0 0 "[ . 1 . ]" 1
11 1 56 LEU HG 1 156 LEU MD1 5.000 . 5.000 4.623 4.379 4.911 . 0 0 "[ . 1 . ]" 1
12 1 33 VAL HB 1 153 VAL MG1 5.000 . 5.000 4.289 3.822 4.563 . 0 0 "[ . 1 . ]" 1
13 1 94 GLY HA3 1 95 PRO HA 5.000 . 5.000 4.836 4.826 4.858 . 0 0 "[ . 1 . ]" 1
14 1 58 VAL MG2 1 159 LEU MD1 3.500 . 3.500 3.156 2.891 3.334 . 0 0 "[ . 1 . ]" 1
15 1 58 VAL MG1 1 159 LEU MD1 5.000 . 5.000 3.943 3.778 4.089 . 0 0 "[ . 1 . ]" 1
16 1 49 TRP HZ3 1 56 LEU MD2 5.000 . 5.000 2.717 2.438 3.004 . 0 0 "[ . 1 . ]" 1
17 1 48 VAL MG1 1 60 THR HB 5.000 3.300 5.000 4.156 4.107 4.224 . 0 0 "[ . 1 . ]" 1
18 1 118 THR HB 1 147 VAL HB 5.000 . 5.000 5.036 5.016 5.064 0.064 5 0 "[ . 1 . ]" 1
19 1 31 TYR HA 1 58 VAL MG1 5.000 . 5.000 3.025 2.936 3.072 . 0 0 "[ . 1 . ]" 1
20 1 31 TYR HA 1 58 VAL MG2 5.000 . 5.000 5.014 4.944 5.039 0.039 17 0 "[ . 1 . ]" 1
21 1 42 VAL HA 1 42 VAL MG1 3.500 . 3.500 2.574 2.208 3.206 . 0 0 "[ . 1 . ]" 1
22 1 42 VAL HA 1 42 VAL MG2 3.500 . 3.500 2.392 2.232 2.506 . 0 0 "[ . 1 . ]" 1
23 1 42 VAL MG1 1 43 ASP HA 5.000 . 5.000 3.643 3.229 3.863 . 0 0 "[ . 1 . ]" 1
24 1 156 LEU HB3 1 159 LEU MD1 5.000 . 5.000 4.962 4.889 5.005 0.005 2 0 "[ . 1 . ]" 1
25 1 156 LEU HB2 1 159 LEU MD1 5.000 . 5.000 3.726 3.634 3.807 . 0 0 "[ . 1 . ]" 1
26 1 156 LEU MD1 1 159 LEU MD1 3.500 . 3.500 3.520 3.493 3.543 0.043 7 0 "[ . 1 . ]" 1
27 1 156 LEU MD2 1 159 LEU MD1 3.500 . 3.500 2.223 1.909 2.381 . 0 0 "[ . 1 . ]" 1
28 1 98 VAL HB 1 116 LEU MD1 5.000 . 5.000 4.238 3.661 4.704 . 0 0 "[ . 1 . ]" 1
29 1 98 VAL QG 1 116 LEU MD1 5.000 . 5.000 2.235 1.792 2.526 0.008 5 0 "[ . 1 . ]" 1
30 1 98 VAL QG 1 116 LEU MD2 5.000 . 5.000 3.982 3.605 4.192 . 0 0 "[ . 1 . ]" 1
31 1 90 VAL MG2 1 148 VAL MG1 5.000 . 5.000 4.071 3.440 5.016 0.016 5 0 "[ . 1 . ]" 1
32 1 90 VAL MG2 1 148 VAL MG2 3.500 . 3.500 3.501 3.403 3.526 0.026 2 0 "[ . 1 . ]" 1
33 1 90 VAL MG1 1 148 VAL HB 5.000 . 5.000 4.787 3.720 5.033 0.033 15 0 "[ . 1 . ]" 1
34 1 156 LEU MD2 1 157 LEU MD2 5.000 . 5.000 4.554 4.083 4.696 . 0 0 "[ . 1 . ]" 1
35 1 69 ILE MG 1 136 VAL MG1 3.500 . 3.500 3.040 2.670 3.320 . 0 0 "[ . 1 . ]" 1
36 1 69 ILE MG 1 136 VAL MG2 3.500 . 3.500 3.516 3.438 3.554 0.054 11 0 "[ . 1 . ]" 1
37 1 69 ILE MG 1 153 VAL MG2 3.500 . 3.500 3.195 2.887 3.463 . 0 0 "[ . 1 . ]" 1
38 1 69 ILE HG13 1 157 LEU HG 5.000 . 5.000 5.029 4.960 5.049 0.049 6 0 "[ . 1 . ]" 1
39 1 58 VAL MG1 1 156 LEU MD2 5.000 . 5.000 3.504 3.340 3.707 . 0 0 "[ . 1 . ]" 1
40 1 58 VAL MG2 1 156 LEU MD1 5.000 . 5.000 3.831 3.629 4.025 . 0 0 "[ . 1 . ]" 1
41 1 58 VAL MG2 1 156 LEU MD2 5.000 . 5.000 1.783 1.759 1.910 0.041 9 0 "[ . 1 . ]" 1
42 1 48 VAL H 1 58 VAL MG1 3.500 . 3.500 3.426 3.374 3.503 0.003 12 0 "[ . 1 . ]" 1
43 1 48 VAL MG2 1 59 SER HB3 5.000 . 5.000 4.949 4.880 5.039 0.039 11 0 "[ . 1 . ]" 1
44 1 48 VAL MG2 1 59 SER HB2 5.000 . 5.000 4.957 4.666 5.029 0.029 15 0 "[ . 1 . ]" 1
45 1 48 VAL MG2 1 58 VAL MG2 3.500 . 3.500 3.491 3.406 3.554 0.054 3 0 "[ . 1 . ]" 1
46 1 48 VAL MG2 1 58 VAL MG1 3.500 . 3.500 1.769 1.752 1.783 0.048 12 0 "[ . 1 . ]" 1
47 1 48 VAL MG2 1 49 TRP HE3 5.000 . 5.000 3.703 3.597 3.909 . 0 0 "[ . 1 . ]" 1
48 1 48 VAL HA 1 48 VAL MG2 3.500 . 3.500 3.200 3.198 3.203 . 0 0 "[ . 1 . ]" 1
49 1 33 VAL MG2 1 58 VAL MG2 3.500 . 3.500 3.509 3.480 3.525 0.025 7 0 "[ . 1 . ]" 1
50 1 153 VAL MG2 1 156 LEU MD1 3.500 . 3.500 3.175 3.073 3.324 . 0 0 "[ . 1 . ]" 1
51 1 153 VAL MG1 1 156 LEU MD1 3.500 . 3.500 1.786 1.772 1.810 0.028 1 0 "[ . 1 . ]" 1
52 1 118 THR HA 1 118 THR MG 3.500 . 3.500 3.198 3.192 3.210 . 0 0 "[ . 1 . ]" 1
53 1 39 ALA HA 1 57 LEU MD1 5.000 . 5.000 4.280 4.077 4.508 . 0 0 "[ . 1 . ]" 1
54 1 28 VAL HB 1 69 ILE MD 3.500 . 3.500 3.522 3.490 3.538 0.038 1 0 "[ . 1 . ]" 1
55 1 116 LEU MD2 1 148 VAL MG1 5.000 . 5.000 4.187 4.028 4.257 . 0 0 "[ . 1 . ]" 1
56 1 116 LEU MD2 1 148 VAL MG2 5.000 . 5.000 3.470 3.121 4.159 . 0 0 "[ . 1 . ]" 1
57 1 138 GLY HA3 1 153 VAL MG2 5.000 . 5.000 3.054 2.395 3.409 . 0 0 "[ . 1 . ]" 1
58 1 138 GLY HA2 1 153 VAL MG1 5.000 . 5.000 4.361 4.192 4.535 . 0 0 "[ . 1 . ]" 1
59 1 138 GLY HA2 1 153 VAL MG2 3.500 . 3.500 1.841 1.779 2.045 0.021 15 0 "[ . 1 . ]" 1
60 1 31 TYR H 1 61 THR MG 3.500 . 3.500 3.532 3.511 3.544 0.044 15 0 "[ . 1 . ]" 1
61 1 130 LEU HG 1 137 ILE HG13 5.000 . 5.000 2.921 1.970 4.751 . 0 0 "[ . 1 . ]" 1
62 1 115 LEU MD2 1 137 ILE HG13 5.000 . 5.000 4.919 4.352 5.023 0.023 11 0 "[ . 1 . ]" 1
63 1 75 THR H 1 76 THR MG 3.500 . 3.500 3.456 3.240 3.513 0.013 5 0 "[ . 1 . ]" 1
64 1 69 ILE MG 1 159 LEU MD1 5.000 . 5.000 4.211 3.828 4.448 . 0 0 "[ . 1 . ]" 1
65 1 104 GLU HB3 1 142 MET ME 3.500 . 3.500 3.488 3.164 3.529 0.029 17 0 "[ . 1 . ]" 1
66 1 104 GLU HB2 1 142 MET ME 3.500 . 3.500 3.511 3.333 3.543 0.043 16 0 "[ . 1 . ]" 1
67 1 26 VAL MG1 1 33 VAL MG1 3.500 . 3.500 3.349 2.718 3.511 0.011 12 0 "[ . 1 . ]" 1
68 1 114 VAL MG2 1 150 PHE HB3 5.000 . 5.000 4.735 4.475 4.933 . 0 0 "[ . 1 . ]" 1
69 1 39 ALA MB 1 57 LEU HG 3.500 . 3.500 3.054 2.733 3.184 . 0 0 "[ . 1 . ]" 1
70 1 51 ASP HA 1 52 TYR HB3 5.000 . 5.000 4.830 4.609 5.017 0.017 10 0 "[ . 1 . ]" 1
71 1 70 ALA MB 1 163 ALA H 5.000 . 5.000 4.478 3.896 4.893 . 0 0 "[ . 1 . ]" 1
72 1 44 TRP HD1 1 57 LEU HG 5.000 . 5.000 4.491 3.714 5.073 0.073 15 0 "[ . 1 . ]" 1
73 1 44 TRP HZ2 1 57 LEU HG 5.000 . 5.000 5.010 4.910 5.072 0.072 8 0 "[ . 1 . ]" 1
74 1 134 HIS HB2 1 137 ILE MD 5.000 . 5.000 4.876 4.244 5.029 0.029 10 0 "[ . 1 . ]" 1
75 1 88 TYR QD 1 119 GLY HA2 5.000 . 5.000 4.987 4.836 5.036 0.036 13 0 "[ . 1 . ]" 1
76 1 70 ALA MB 1 134 HIS HA 5.000 . 5.000 3.845 3.711 4.202 . 0 0 "[ . 1 . ]" 1
77 1 142 MET ME 1 143 GLY H 5.000 . 5.000 3.154 2.336 3.712 . 0 0 "[ . 1 . ]" 1
78 1 141 THR MG 1 142 MET ME 5.000 . 5.000 4.741 4.173 5.050 0.050 17 0 "[ . 1 . ]" 1
79 1 156 LEU MD2 1 158 TRP HZ2 5.000 . 5.000 4.331 4.168 4.666 . 0 0 "[ . 1 . ]" 1
80 1 100 VAL HA 1 142 MET ME 5.000 . 5.000 4.705 4.171 5.043 0.043 6 0 "[ . 1 . ]" 1
81 1 24 GLY QA 1 25 ALA H 5.000 . 5.000 2.635 2.144 2.850 . 0 0 "[ . 1 . ]" 1
82 1 25 ALA HA 1 26 VAL H 5.000 . 5.000 2.533 2.203 2.745 . 0 0 "[ . 1 . ]" 1
83 1 25 ALA MB 1 26 VAL H 5.000 . 5.000 2.282 1.955 2.873 . 0 0 "[ . 1 . ]" 1
84 1 25 ALA MB 1 32 LYS QE 3.500 . 3.500 2.647 1.816 3.514 0.014 10 0 "[ . 1 . ]" 1
85 1 25 ALA MB 1 32 LYS QG 3.500 . 3.500 3.262 2.939 3.502 0.002 16 0 "[ . 1 . ]" 1
86 1 25 ALA MB 1 32 LYS QD 5.000 . 5.000 3.458 2.335 4.127 . 0 0 "[ . 1 . ]" 1
87 1 25 ALA MB 1 33 VAL H 5.000 . 5.000 4.626 4.221 4.967 . 0 0 "[ . 1 . ]" 1
88 1 25 ALA MB 1 34 VAL HB 3.500 . 3.500 2.110 1.930 2.263 . 0 0 "[ . 1 . ]" 1
89 1 25 ALA MB 1 34 VAL MG1 3.500 . 3.500 3.440 3.238 3.513 0.013 1 0 "[ . 1 . ]" 1
90 1 26 VAL HA 1 27 TYR H 3.500 . 3.500 2.164 2.147 2.191 . 0 0 "[ . 1 . ]" 1
91 1 26 VAL HB 1 27 TYR H 5.000 . 5.000 4.333 4.179 4.430 . 0 0 "[ . 1 . ]" 1
92 1 26 VAL QG 1 27 TYR H 3.500 . 3.500 2.825 2.461 3.023 . 0 0 "[ . 1 . ]" 1
93 1 26 VAL H 1 33 VAL H 5.000 . 5.000 4.174 3.927 4.369 . 0 0 "[ . 1 . ]" 1
94 1 26 VAL QG 1 67 ASP QB 3.500 . 3.500 2.627 1.991 3.168 . 0 0 "[ . 1 . ]" 1
95 1 26 VAL QG 1 69 ILE MD 3.500 . 3.500 2.330 2.033 2.663 . 0 0 "[ . 1 . ]" 1
96 1 26 VAL HA 1 129 ILE MD 5.000 . 5.000 3.857 3.146 5.010 0.010 12 0 "[ . 1 . ]" 1
97 1 26 VAL HA 1 129 ILE MG 3.500 . 3.500 3.452 3.065 3.527 0.027 9 0 "[ . 1 . ]" 1
98 1 26 VAL QG 1 136 VAL MG1 3.500 . 3.500 2.031 1.813 2.261 . 0 0 "[ . 1 . ]" 1
99 1 26 VAL QG 1 136 VAL MG2 3.500 . 3.500 2.858 2.416 3.207 . 0 0 "[ . 1 . ]" 1
100 1 26 VAL QG 1 153 VAL MG2 3.500 . 3.500 2.705 2.493 2.887 . 0 0 "[ . 1 . ]" 1
101 1 26 VAL QG 1 153 VAL MG1 3.500 . 3.500 3.431 3.227 3.510 0.010 5 0 "[ . 1 . ]" 1
102 1 27 TYR HA 1 28 VAL H 5.000 . 5.000 2.152 2.131 2.165 . 0 0 "[ . 1 . ]" 1
103 1 27 TYR QE 1 61 THR MG 3.500 . 3.500 2.412 1.869 3.520 0.020 10 0 "[ . 1 . ]" 1
104 1 27 TYR QE 1 63 ALA MB 3.500 . 3.500 3.024 2.681 3.503 0.003 1 0 "[ . 1 . ]" 1
105 1 27 TYR QB 1 65 GLY QA 5.000 . 5.000 4.353 2.322 5.010 0.010 16 0 "[ . 1 . ]" 1
106 1 27 TYR QE 1 65 GLY QA 3.500 . 3.500 2.368 1.888 3.522 0.022 1 0 "[ . 1 . ]" 1
107 1 27 TYR H 1 67 ASP QB 5.000 . 5.000 3.591 2.966 4.453 . 0 0 "[ . 1 . ]" 1
108 1 28 VAL HA 1 28 VAL MG2 3.500 . 3.500 2.344 2.219 2.463 . 0 0 "[ . 1 . ]" 1
109 1 28 VAL HA 1 28 VAL MG1 3.500 . 3.500 2.326 2.200 2.501 . 0 0 "[ . 1 . ]" 1
110 1 28 VAL HA 1 29 GLY H 5.000 . 5.000 2.158 2.135 2.205 . 0 0 "[ . 1 . ]" 1
111 1 28 VAL MG2 1 29 GLY H 5.000 . 5.000 4.117 3.833 4.250 . 0 0 "[ . 1 . ]" 1
112 1 28 VAL MG1 1 29 GLY H 5.000 . 5.000 2.790 2.286 3.088 . 0 0 "[ . 1 . ]" 1
113 1 28 VAL HB 1 31 TYR H 5.000 . 5.000 4.311 4.064 4.700 . 0 0 "[ . 1 . ]" 1
114 1 28 VAL H 1 31 TYR H 5.000 . 5.000 3.933 3.847 4.000 . 0 0 "[ . 1 . ]" 1
115 1 28 VAL MG2 1 69 ILE MD 3.500 . 3.500 1.775 1.758 1.805 0.042 3 0 "[ . 1 . ]" 1
116 1 28 VAL MG2 1 69 ILE QG 3.500 . 3.500 1.939 1.837 2.101 . 0 0 "[ . 1 . ]" 1
117 1 28 VAL MG2 1 69 ILE H 3.500 . 3.500 3.247 2.561 3.508 0.008 13 0 "[ . 1 . ]" 1
118 1 28 VAL MG1 1 69 ILE MD 3.500 . 3.500 3.192 2.730 3.515 0.015 10 0 "[ . 1 . ]" 1
119 1 28 VAL MG1 1 69 ILE QG 3.500 . 3.500 2.447 2.095 2.785 . 0 0 "[ . 1 . ]" 1
120 1 28 VAL MG1 1 69 ILE H 3.500 . 3.500 3.289 2.803 3.506 0.006 14 0 "[ . 1 . ]" 1
121 1 28 VAL HB 1 159 LEU MD2 5.000 . 5.000 1.841 1.783 1.911 0.017 4 0 "[ . 1 . ]" 1
122 1 28 VAL HB 1 159 LEU MD1 3.500 . 3.500 3.487 3.270 3.562 0.062 16 0 "[ . 1 . ]" 1
123 1 28 VAL MG2 1 159 LEU MD2 5.000 . 5.000 2.427 2.163 2.759 . 0 0 "[ . 1 . ]" 1
124 1 28 VAL MG2 1 159 LEU MD1 3.500 . 3.500 3.467 3.317 3.528 0.028 17 0 "[ . 1 . ]" 1
125 1 28 VAL MG1 1 159 LEU MD2 3.500 . 3.500 3.018 2.863 3.239 . 0 0 "[ . 1 . ]" 1
126 1 28 VAL MG1 1 159 LEU MD1 3.500 . 3.500 3.336 2.974 3.548 0.048 11 0 "[ . 1 . ]" 1
127 1 28 VAL MG2 1 160 GLU QG 5.000 . 5.000 4.598 3.525 5.035 0.035 2 0 "[ . 1 . ]" 1
128 1 28 VAL MG1 1 160 GLU QG 3.500 . 3.500 2.382 1.830 2.992 . 0 0 "[ . 1 . ]" 1
129 1 29 GLY QA 1 30 ASN QB 5.000 . 5.000 4.135 3.897 4.258 . 0 0 "[ . 1 . ]" 1
130 1 29 GLY QA 1 30 ASN H 5.000 . 5.000 2.109 2.104 2.114 . 0 0 "[ . 1 . ]" 1
131 1 29 GLY H 1 30 ASN H 5.000 . 5.000 4.542 4.522 4.568 . 0 0 "[ . 1 . ]" 1
132 1 29 GLY QA 1 31 TYR H 5.000 . 5.000 3.331 3.284 3.366 . 0 0 "[ . 1 . ]" 1
133 1 29 GLY QA 1 65 GLY H 5.000 . 5.000 3.097 2.282 3.678 . 0 0 "[ . 1 . ]" 1
134 1 29 GLY H 1 65 GLY H 5.000 . 5.000 4.014 2.560 4.696 . 0 0 "[ . 1 . ]" 1
135 1 30 ASN HA 1 31 TYR H 5.000 . 5.000 3.088 3.041 3.132 . 0 0 "[ . 1 . ]" 1
136 1 30 ASN QB 1 31 TYR H 5.000 . 5.000 3.725 3.610 3.993 . 0 0 "[ . 1 . ]" 1
137 1 30 ASN H 1 31 TYR QD 5.000 . 5.000 4.868 4.677 4.999 . 0 0 "[ . 1 . ]" 1
138 1 30 ASN H 1 31 TYR H 5.000 . 5.000 2.679 2.610 2.721 . 0 0 "[ . 1 . ]" 1
139 1 30 ASN QB 1 60 THR HB 5.000 . 5.000 3.552 3.441 3.710 . 0 0 "[ . 1 . ]" 1
140 1 30 ASN QB 1 60 THR MG 5.000 . 5.000 4.238 4.080 4.425 . 0 0 "[ . 1 . ]" 1
141 1 30 ASN QB 1 61 THR H 5.000 . 5.000 3.495 3.091 3.793 . 0 0 "[ . 1 . ]" 1
142 1 31 TYR HA 1 31 TYR QD 3.500 . 3.500 1.859 1.822 1.918 . 0 0 "[ . 1 . ]" 1
143 1 31 TYR H 1 31 TYR QD 5.000 . 5.000 3.883 3.830 3.919 . 0 0 "[ . 1 . ]" 1
144 1 31 TYR HA 1 32 LYS H 5.000 . 5.000 2.246 2.187 2.308 . 0 0 "[ . 1 . ]" 1
145 1 31 TYR QB 1 32 LYS H 5.000 . 5.000 2.963 2.692 3.243 . 0 0 "[ . 1 . ]" 1
146 1 31 TYR QD 1 32 LYS H 5.000 . 5.000 3.572 3.461 3.696 . 0 0 "[ . 1 . ]" 1
147 1 31 TYR QD 1 48 VAL MG2 3.500 . 3.500 3.291 3.135 3.488 . 0 0 "[ . 1 . ]" 1
148 1 31 TYR QD 1 48 VAL MG1 3.500 . 3.500 3.530 3.523 3.537 0.037 15 0 "[ . 1 . ]" 1
149 1 31 TYR QE 1 48 VAL MG2 3.500 . 3.500 3.035 2.890 3.208 . 0 0 "[ . 1 . ]" 1
150 1 31 TYR QE 1 48 VAL MG1 3.500 . 3.500 2.234 2.046 2.425 . 0 0 "[ . 1 . ]" 1
151 1 31 TYR QB 1 58 VAL MG1 3.500 . 3.500 1.873 1.793 2.003 0.007 5 0 "[ . 1 . ]" 1
152 1 31 TYR QD 1 58 VAL MG1 3.500 . 3.500 2.724 2.605 2.873 . 0 0 "[ . 1 . ]" 1
153 1 31 TYR QD 1 58 VAL MG2 5.000 . 5.000 4.287 4.222 4.371 . 0 0 "[ . 1 . ]" 1
154 1 31 TYR QE 1 58 VAL MG1 3.500 . 3.500 3.591 3.574 3.605 0.105 4 0 "[ . 1 . ]" 1
155 1 31 TYR HA 1 60 THR HA 3.500 . 3.500 2.487 2.345 2.622 . 0 0 "[ . 1 . ]" 1
156 1 31 TYR HA 1 60 THR MG 3.500 . 3.500 3.596 3.571 3.621 0.121 14 0 "[ . 1 . ]" 1
157 1 31 TYR QD 1 60 THR MG 3.500 . 3.500 2.180 2.128 2.252 . 0 0 "[ . 1 . ]" 1
158 1 31 TYR QD 1 60 THR H 5.000 . 5.000 4.208 4.069 4.398 . 0 0 "[ . 1 . ]" 1
159 1 31 TYR QE 1 60 THR HB 3.500 . 3.500 3.536 3.522 3.550 0.050 1 0 "[ . 1 . ]" 1
160 1 31 TYR QE 1 60 THR MG 3.500 . 3.500 1.768 1.757 1.784 0.043 14 0 "[ . 1 . ]" 1
161 1 31 TYR H 1 60 THR HA 5.000 . 5.000 4.725 4.651 4.801 . 0 0 "[ . 1 . ]" 1
162 1 31 TYR HA 1 61 THR H 5.000 . 5.000 3.450 3.161 3.820 . 0 0 "[ . 1 . ]" 1
163 1 31 TYR QD 1 61 THR H 5.000 . 5.000 4.035 3.944 4.233 . 0 0 "[ . 1 . ]" 1
164 1 31 TYR H 1 61 THR H 5.000 . 5.000 4.449 4.272 4.680 . 0 0 "[ . 1 . ]" 1
165 1 31 TYR QD 1 158 TRP QB 5.000 . 5.000 4.490 4.319 4.684 . 0 0 "[ . 1 . ]" 1
166 1 31 TYR QE 1 158 TRP QB 3.500 . 3.500 3.523 3.505 3.540 0.040 13 0 "[ . 1 . ]" 1
167 1 31 TYR QB 1 159 LEU MD2 3.500 . 3.500 1.771 1.749 1.789 0.051 4 0 "[ . 1 . ]" 1
168 1 31 TYR QB 1 159 LEU MD1 5.000 . 5.000 3.627 3.519 3.773 . 0 0 "[ . 1 . ]" 1
169 1 31 TYR QD 1 159 LEU QB 5.000 . 5.000 3.116 2.948 3.275 . 0 0 "[ . 1 . ]" 1
170 1 31 TYR QD 1 159 LEU MD2 5.000 . 5.000 3.143 2.969 3.266 . 0 0 "[ . 1 . ]" 1
171 1 31 TYR QD 1 159 LEU HA 3.500 . 3.500 1.800 1.780 1.858 0.020 13 0 "[ . 1 . ]" 1
172 1 31 TYR QD 1 159 LEU MD1 3.500 . 3.500 3.525 3.502 3.542 0.042 11 0 "[ . 1 . ]" 1
173 1 31 TYR QE 1 159 LEU HA 3.500 . 3.500 3.309 3.075 3.505 0.005 1 0 "[ . 1 . ]" 1
174 1 31 TYR QE 1 159 LEU MD2 5.000 . 5.000 4.934 4.792 5.013 0.013 5 0 "[ . 1 . ]" 1
175 1 31 TYR QE 1 159 LEU MD1 5.000 . 5.000 4.847 4.774 4.924 . 0 0 "[ . 1 . ]" 1
176 1 32 LYS H 1 32 LYS QG 5.000 . 5.000 4.153 4.007 4.281 . 0 0 "[ . 1 . ]" 1
177 1 32 LYS HA 1 33 VAL H 5.000 . 5.000 2.167 2.146 2.176 . 0 0 "[ . 1 . ]" 1
178 1 32 LYS QB 1 33 VAL H 5.000 . 5.000 3.881 3.841 3.899 . 0 0 "[ . 1 . ]" 1
179 1 32 LYS QD 1 33 VAL H 5.000 . 5.000 4.320 3.319 5.023 0.023 8 0 "[ . 1 . ]" 1
180 1 32 LYS QG 1 33 VAL H 5.000 . 5.000 3.000 2.881 3.200 . 0 0 "[ . 1 . ]" 1
181 1 32 LYS QE 1 34 VAL MG1 3.500 . 3.500 2.970 1.948 3.501 0.001 17 0 "[ . 1 . ]" 1
182 1 32 LYS H 1 58 VAL MG1 5.000 . 5.000 2.646 2.394 3.033 . 0 0 "[ . 1 . ]" 1
183 1 32 LYS H 1 58 VAL MG2 5.000 . 5.000 4.251 3.988 4.592 . 0 0 "[ . 1 . ]" 1
184 1 32 LYS H 1 59 SER H 5.000 . 5.000 2.458 2.329 2.630 . 0 0 "[ . 1 . ]" 1
185 1 32 LYS H 1 60 THR HA 5.000 . 5.000 3.739 3.529 3.925 . 0 0 "[ . 1 . ]" 1
186 1 32 LYS QB 1 61 THR HB 5.000 . 5.000 3.857 3.376 4.541 . 0 0 "[ . 1 . ]" 1
187 1 32 LYS QB 1 61 THR MG 3.500 . 3.500 2.274 2.105 2.528 . 0 0 "[ . 1 . ]" 1
188 1 32 LYS H 1 61 THR H 5.000 . 5.000 4.590 4.302 4.803 . 0 0 "[ . 1 . ]" 1
189 1 32 LYS H 1 61 THR MG 3.500 . 3.500 3.517 3.499 3.528 0.028 12 0 "[ . 1 . ]" 1
190 1 32 LYS H 1 159 LEU MD2 5.000 . 5.000 3.905 3.716 4.136 . 0 0 "[ . 1 . ]" 1
191 1 33 VAL HA 1 33 VAL MG1 3.500 . 3.500 2.704 2.660 2.832 . 0 0 "[ . 1 . ]" 1
192 1 33 VAL HA 1 33 VAL MG2 3.500 . 3.500 3.112 3.058 3.133 . 0 0 "[ . 1 . ]" 1
193 1 33 VAL HA 1 34 VAL H 5.000 . 5.000 2.114 2.099 2.124 . 0 0 "[ . 1 . ]" 1
194 1 33 VAL HB 1 34 VAL H 3.500 . 3.500 3.510 3.482 3.554 0.054 11 0 "[ . 1 . ]" 1
195 1 33 VAL MG1 1 34 VAL H 5.000 . 5.000 4.365 4.345 4.408 . 0 0 "[ . 1 . ]" 1
196 1 33 VAL MG2 1 34 VAL H 3.500 . 3.500 3.466 3.330 3.515 0.015 1 0 "[ . 1 . ]" 1
197 1 33 VAL HB 1 56 LEU MD2 3.500 . 3.500 2.445 2.200 2.769 . 0 0 "[ . 1 . ]" 1
198 1 33 VAL HB 1 56 LEU MD1 3.500 . 3.500 2.738 2.474 3.082 . 0 0 "[ . 1 . ]" 1
199 1 33 VAL MG1 1 56 LEU MD2 3.500 . 3.500 3.234 3.075 3.462 . 0 0 "[ . 1 . ]" 1
200 1 33 VAL MG2 1 56 LEU MD2 3.500 . 3.500 2.235 2.021 2.623 . 0 0 "[ . 1 . ]" 1
201 1 33 VAL MG2 1 56 LEU MD1 5.000 . 5.000 1.869 1.798 2.022 0.002 1 0 "[ . 1 . ]" 1
202 1 33 VAL MG1 1 58 VAL HA 3.500 . 3.500 3.230 3.057 3.502 0.002 11 0 "[ . 1 . ]" 1
203 1 33 VAL MG1 1 58 VAL MG2 3.500 . 3.500 1.827 1.780 1.949 0.020 8 0 "[ . 1 . ]" 1
204 1 33 VAL MG1 1 69 ILE MD 3.500 . 3.500 3.439 3.218 3.554 0.054 11 0 "[ . 1 . ]" 1
205 1 33 VAL MG1 1 153 VAL MG2 3.500 . 3.500 3.523 3.496 3.546 0.046 2 0 "[ . 1 . ]" 1
206 1 33 VAL MG1 1 153 VAL MG1 3.500 . 3.500 2.827 2.560 3.022 . 0 0 "[ . 1 . ]" 1
207 1 33 VAL MG2 1 153 VAL MG2 3.500 . 3.500 2.267 1.914 2.794 . 0 0 "[ . 1 . ]" 1
208 1 33 VAL MG2 1 153 VAL MG1 3.500 . 3.500 2.857 2.347 3.159 . 0 0 "[ . 1 . ]" 1
209 1 33 VAL MG1 1 156 LEU MD2 3.500 . 3.500 1.878 1.827 1.996 . 0 0 "[ . 1 . ]" 1
210 1 33 VAL MG1 1 156 LEU MD1 3.500 . 3.500 3.498 3.461 3.517 0.017 1 0 "[ . 1 . ]" 1
211 1 33 VAL MG2 1 156 LEU MD2 3.500 . 3.500 3.099 3.034 3.178 . 0 0 "[ . 1 . ]" 1
212 1 33 VAL MG2 1 156 LEU MD1 3.500 . 3.500 3.542 3.527 3.551 0.051 9 0 "[ . 1 . ]" 1
213 1 34 VAL HA 1 34 VAL MG1 3.500 . 3.500 3.202 3.195 3.207 . 0 0 "[ . 1 . ]" 1
214 1 34 VAL MG1 1 38 LEU QB 3.500 . 3.500 3.510 3.446 3.537 0.037 6 0 "[ . 1 . ]" 1
215 1 34 VAL MG1 1 39 ALA MB 3.500 . 3.500 1.942 1.812 2.134 . 0 0 "[ . 1 . ]" 1
216 1 34 VAL MG1 1 39 ALA H 5.000 . 5.000 3.416 3.274 3.590 . 0 0 "[ . 1 . ]" 1
217 1 34 VAL MG2 1 39 ALA MB 3.500 . 3.500 3.502 3.464 3.532 0.032 7 0 "[ . 1 . ]" 1
218 1 34 VAL MG2 1 39 ALA H 5.000 . 5.000 3.696 3.378 3.908 . 0 0 "[ . 1 . ]" 1
219 1 34 VAL MG1 1 57 LEU MD1 3.500 . 3.500 3.220 3.014 3.544 0.044 8 0 "[ . 1 . ]" 1
220 1 34 VAL H 1 57 LEU H 5.000 . 5.000 2.907 2.690 2.995 . 0 0 "[ . 1 . ]" 1
221 1 35 ASN HA 1 36 ARG H 5.000 . 5.000 2.234 2.225 2.244 . 0 0 "[ . 1 . ]" 1
222 1 35 ASN QB 1 36 ARG H 5.000 . 5.000 3.243 2.908 3.579 . 0 0 "[ . 1 . ]" 1
223 1 35 ASN QB 1 38 LEU QB 3.500 . 3.500 2.144 1.931 2.360 . 0 0 "[ . 1 . ]" 1
224 1 35 ASN QB 1 38 LEU QD 3.500 . 3.500 2.781 1.814 3.141 . 0 0 "[ . 1 . ]" 1
225 1 35 ASN QB 1 38 LEU H 5.000 . 5.000 2.642 2.484 2.821 . 0 0 "[ . 1 . ]" 1
226 1 36 ARG H 1 37 HIS H 5.000 . 5.000 2.818 2.757 2.849 . 0 0 "[ . 1 . ]" 1
227 1 36 ARG H 1 57 LEU H 5.000 . 5.000 4.613 4.408 4.730 . 0 0 "[ . 1 . ]" 1
228 1 37 HIS H 1 38 LEU H 5.000 . 5.000 2.627 2.591 2.660 . 0 0 "[ . 1 . ]" 1
229 1 38 LEU HA 1 38 LEU QD 3.500 . 3.500 2.367 1.958 2.804 . 0 0 "[ . 1 . ]" 1
230 1 38 LEU H 1 38 LEU QD 5.000 . 5.000 3.682 3.328 3.808 . 0 0 "[ . 1 . ]" 1
231 1 38 LEU H 1 38 LEU HG 5.000 . 5.000 4.265 2.652 4.622 . 0 0 "[ . 1 . ]" 1
232 1 38 LEU HA 1 39 ALA H 5.000 . 5.000 3.346 3.268 3.411 . 0 0 "[ . 1 . ]" 1
233 1 38 LEU QB 1 39 ALA H 5.000 . 5.000 3.348 3.175 3.525 . 0 0 "[ . 1 . ]" 1
234 1 38 LEU QD 1 39 ALA H 5.000 . 5.000 4.466 4.342 4.586 . 0 0 "[ . 1 . ]" 1
235 1 38 LEU HG 1 39 ALA H 5.000 . 5.000 4.855 4.590 5.000 0.000 3 0 "[ . 1 . ]" 1
236 1 38 LEU H 1 39 ALA MB 5.000 . 5.000 3.702 3.645 3.753 . 0 0 "[ . 1 . ]" 1
237 1 38 LEU H 1 39 ALA H 5.000 . 5.000 2.158 2.078 2.285 . 0 0 "[ . 1 . ]" 1
238 1 38 LEU QD 1 105 TYR QE 5.000 . 5.000 4.352 3.519 5.003 0.003 4 0 "[ . 1 . ]" 1
239 1 39 ALA HA 1 40 THR MG 3.500 . 3.500 3.469 3.308 3.536 0.036 11 0 "[ . 1 . ]" 1
240 1 39 ALA HA 1 40 THR H 5.000 . 5.000 2.205 2.121 2.281 . 0 0 "[ . 1 . ]" 1
241 1 39 ALA MB 1 40 THR H 5.000 . 5.000 2.937 2.721 3.123 . 0 0 "[ . 1 . ]" 1
242 1 39 ALA H 1 40 THR H 5.000 . 5.000 4.557 4.489 4.619 . 0 0 "[ . 1 . ]" 1
243 1 39 ALA MB 1 43 ASP QB 3.500 . 3.500 2.204 2.009 2.326 . 0 0 "[ . 1 . ]" 1
244 1 39 ALA MB 1 43 ASP H 5.000 . 5.000 4.228 4.143 4.325 . 0 0 "[ . 1 . ]" 1
245 1 39 ALA H 1 43 ASP QB 5.000 . 5.000 5.049 5.019 5.078 0.078 2 0 "[ . 1 . ]" 1
246 1 39 ALA MB 1 44 TRP HD1 5.000 . 5.000 3.603 2.644 4.765 . 0 0 "[ . 1 . ]" 1
247 1 39 ALA MB 1 44 TRP HE1 5.000 . 5.000 2.650 1.817 3.683 . 0 0 "[ . 1 . ]" 1
248 1 39 ALA MB 1 44 TRP H 5.000 . 5.000 3.708 3.607 3.870 . 0 0 "[ . 1 . ]" 1
249 1 39 ALA H 1 44 TRP HZ2 3.500 . 3.500 3.594 3.562 3.632 0.132 14 0 "[ . 1 . ]" 1
250 1 39 ALA MB 1 57 LEU MD1 3.500 . 3.500 1.894 1.829 2.046 . 0 0 "[ . 1 . ]" 1
251 1 39 ALA MB 1 57 LEU MD2 3.500 . 3.500 1.885 1.776 2.125 0.024 8 0 "[ . 1 . ]" 1
252 1 39 ALA H 1 57 LEU MD1 5.000 . 5.000 3.729 3.602 3.983 . 0 0 "[ . 1 . ]" 1
253 1 40 THR HA 1 40 THR MG 3.500 . 3.500 2.743 2.427 3.211 . 0 0 "[ . 1 . ]" 1
254 1 40 THR MG 1 42 VAL H 5.000 . 5.000 3.704 2.570 4.260 . 0 0 "[ . 1 . ]" 1
255 1 40 THR H 1 43 ASP QB 5.000 . 5.000 2.331 1.929 2.733 . 0 0 "[ . 1 . ]" 1
256 1 40 THR H 1 43 ASP H 5.000 . 5.000 3.439 3.142 3.735 . 0 0 "[ . 1 . ]" 1
257 1 40 THR H 1 44 TRP H 5.000 . 5.000 4.680 4.296 4.986 . 0 0 "[ . 1 . ]" 1
258 1 41 HIS HA 1 42 VAL H 5.000 . 5.000 3.481 3.472 3.496 . 0 0 "[ . 1 . ]" 1
259 1 41 HIS QB 1 42 VAL H 5.000 . 5.000 3.091 2.809 3.542 . 0 0 "[ . 1 . ]" 1
260 1 42 VAL HA 1 43 ASP H 5.000 . 5.000 3.508 3.500 3.512 . 0 0 "[ . 1 . ]" 1
261 1 42 VAL HB 1 43 ASP H 5.000 . 5.000 3.203 2.787 4.077 . 0 0 "[ . 1 . ]" 1
262 1 42 VAL MG1 1 43 ASP H 5.000 . 5.000 3.280 1.931 3.818 . 0 0 "[ . 1 . ]" 1
263 1 42 VAL MG2 1 43 ASP H 5.000 . 5.000 3.790 3.725 3.823 . 0 0 "[ . 1 . ]" 1
264 1 42 VAL H 1 43 ASP H 5.000 . 5.000 2.523 2.485 2.560 . 0 0 "[ . 1 . ]" 1
265 1 42 VAL HA 1 45 GLN QB 3.500 . 3.500 2.250 1.967 3.424 . 0 0 "[ . 1 . ]" 1
266 1 42 VAL HA 1 45 GLN QG 3.500 . 3.500 3.110 1.884 3.513 0.013 8 0 "[ . 1 . ]" 1
267 1 42 VAL HA 1 45 GLN H 5.000 . 5.000 3.282 3.151 3.602 . 0 0 "[ . 1 . ]" 1
268 1 43 ASP HA 1 44 TRP H 5.000 . 5.000 3.529 3.520 3.535 . 0 0 "[ . 1 . ]" 1
269 1 43 ASP QB 1 44 TRP H 5.000 . 5.000 2.596 2.535 2.658 . 0 0 "[ . 1 . ]" 1
270 1 43 ASP H 1 44 TRP HA 5.000 . 5.000 5.155 5.141 5.161 0.161 7 0 "[ . 1 . ]" 1
271 1 43 ASP H 1 44 TRP H 5.000 . 5.000 2.550 2.522 2.561 . 0 0 "[ . 1 . ]" 1
272 1 43 ASP H 1 45 GLN H 5.000 . 5.000 3.803 3.687 4.134 . 0 0 "[ . 1 . ]" 1
273 1 43 ASP HA 1 46 ASN H 5.000 . 5.000 3.841 3.785 3.997 . 0 0 "[ . 1 . ]" 1
274 1 43 ASP QB 1 57 LEU HG 3.500 . 3.500 3.248 2.845 3.502 0.002 15 0 "[ . 1 . ]" 1
275 1 44 TRP H 1 44 TRP HD1 5.000 . 5.000 3.265 1.896 4.720 . 0 0 "[ . 1 . ]" 1
276 1 44 TRP QB 1 45 GLN H 5.000 . 5.000 2.789 2.525 2.882 . 0 0 "[ . 1 . ]" 1
277 1 44 TRP H 1 45 GLN H 5.000 . 5.000 2.486 2.449 2.639 . 0 0 "[ . 1 . ]" 1
278 1 44 TRP H 1 45 GLN QB 5.000 . 5.000 4.242 4.121 4.698 . 0 0 "[ . 1 . ]" 1
279 1 44 TRP H 1 46 ASN H 5.000 . 5.000 4.243 4.055 4.294 . 0 0 "[ . 1 . ]" 1
280 1 44 TRP HA 1 47 CYS QB 3.500 . 3.500 1.840 1.816 1.865 . 0 0 "[ . 1 . ]" 1
281 1 44 TRP HA 1 47 CYS H 5.000 . 5.000 3.308 3.112 3.505 . 0 0 "[ . 1 . ]" 1
282 1 44 TRP HE1 1 57 LEU MD1 5.000 . 5.000 2.444 1.791 3.244 0.009 7 0 "[ . 1 . ]" 1
283 1 44 TRP HE3 1 57 LEU MD1 5.000 . 5.000 4.289 3.424 4.901 . 0 0 "[ . 1 . ]" 1
284 1 44 TRP HH2 1 57 LEU MD1 5.000 . 5.000 3.458 2.745 4.136 . 0 0 "[ . 1 . ]" 1
285 1 44 TRP H 1 57 LEU HG 5.000 . 5.000 5.025 5.010 5.062 0.062 8 0 "[ . 1 . ]" 1
286 1 44 TRP HZ2 1 57 LEU MD1 5.000 . 5.000 2.537 2.390 2.645 . 0 0 "[ . 1 . ]" 1
287 1 44 TRP HZ3 1 57 LEU MD1 5.000 . 5.000 4.174 3.266 5.049 0.049 16 0 "[ . 1 . ]" 1
288 1 45 GLN HA 1 45 GLN QG 3.500 . 3.500 2.579 2.009 3.333 . 0 0 "[ . 1 . ]" 1
289 1 45 GLN H 1 45 GLN QG 5.000 . 5.000 3.390 2.403 4.055 . 0 0 "[ . 1 . ]" 1
290 1 45 GLN HA 1 46 ASN H 5.000 . 5.000 3.536 3.520 3.543 . 0 0 "[ . 1 . ]" 1
291 1 45 GLN QB 1 46 ASN H 5.000 . 5.000 2.699 2.473 3.457 . 0 0 "[ . 1 . ]" 1
292 1 45 GLN QG 1 46 ASN H 5.000 . 5.000 3.918 2.005 4.469 . 0 0 "[ . 1 . ]" 1
293 1 45 GLN H 1 46 ASN H 5.000 . 5.000 2.736 2.697 2.797 . 0 0 "[ . 1 . ]" 1
294 1 45 GLN H 1 47 CYS H 5.000 . 5.000 4.055 3.920 4.230 . 0 0 "[ . 1 . ]" 1
295 1 46 ASN HA 1 47 CYS H 5.000 . 5.000 2.895 2.806 2.958 . 0 0 "[ . 1 . ]" 1
296 1 46 ASN H 1 47 CYS HA 5.000 . 5.000 4.464 4.395 4.593 . 0 0 "[ . 1 . ]" 1
297 1 46 ASN H 1 47 CYS QB 5.000 . 5.000 4.050 3.957 4.194 . 0 0 "[ . 1 . ]" 1
298 1 46 ASN H 1 47 CYS H 5.000 . 5.000 2.656 2.502 2.773 . 0 0 "[ . 1 . ]" 1
299 1 46 ASN HA 1 60 THR H 5.000 . 5.000 4.889 4.631 5.009 0.009 14 0 "[ . 1 . ]" 1
300 1 46 ASN QB 1 60 THR H 5.000 . 5.000 2.826 2.492 3.175 . 0 0 "[ . 1 . ]" 1
301 1 46 ASN QB 1 60 THR MG 5.000 . 5.000 3.736 3.404 4.263 . 0 0 "[ . 1 . ]" 1
302 1 47 CYS HA 1 48 VAL H 5.000 . 5.000 2.151 2.123 2.246 . 0 0 "[ . 1 . ]" 1
303 1 47 CYS QB 1 48 VAL H 5.000 . 5.000 3.537 3.180 3.785 . 0 0 "[ . 1 . ]" 1
304 1 47 CYS H 1 48 VAL H 5.000 . 5.000 4.527 4.489 4.593 . 0 0 "[ . 1 . ]" 1
305 1 47 CYS QB 1 57 LEU MD1 5.000 . 5.000 4.232 3.529 4.460 . 0 0 "[ . 1 . ]" 1
306 1 47 CYS QB 1 57 LEU HG 3.500 . 3.500 3.354 3.146 3.517 0.017 7 0 "[ . 1 . ]" 1
307 1 47 CYS HA 1 59 SER QB 3.500 . 3.500 2.694 2.446 2.803 . 0 0 "[ . 1 . ]" 1
308 1 47 CYS HA 1 60 THR H 5.000 . 5.000 3.831 3.454 4.073 . 0 0 "[ . 1 . ]" 1
309 1 48 VAL HA 1 48 VAL MG1 3.500 . 3.500 2.296 2.156 2.360 . 0 0 "[ . 1 . ]" 1
310 1 48 VAL H 1 48 VAL MG1 3.500 . 3.500 2.722 2.576 2.882 . 0 0 "[ . 1 . ]" 1
311 1 48 VAL HA 1 49 TRP H 5.000 . 5.000 3.543 3.530 3.553 . 0 0 "[ . 1 . ]" 1
312 1 48 VAL HB 1 49 TRP H 5.000 . 5.000 3.619 3.556 3.662 . 0 0 "[ . 1 . ]" 1
313 1 48 VAL MG2 1 49 TRP QB 3.500 . 3.500 2.439 2.372 2.506 . 0 0 "[ . 1 . ]" 1
314 1 48 VAL MG2 1 49 TRP H 5.000 . 5.000 1.911 1.884 1.933 . 0 0 "[ . 1 . ]" 1
315 1 48 VAL H 1 49 TRP H 5.000 . 5.000 2.262 2.103 2.350 . 0 0 "[ . 1 . ]" 1
316 1 48 VAL MG2 1 58 VAL HB 3.500 . 3.500 2.247 2.140 2.324 . 0 0 "[ . 1 . ]" 1
317 1 48 VAL H 1 58 VAL HA 5.000 . 5.000 4.900 4.861 4.931 . 0 0 "[ . 1 . ]" 1
318 1 48 VAL MG2 1 59 SER HA 3.500 . 3.500 2.886 2.734 2.950 . 0 0 "[ . 1 . ]" 1
319 1 48 VAL MG1 1 59 SER HA 3.500 . 3.500 3.483 3.429 3.505 0.005 7 0 "[ . 1 . ]" 1
320 1 48 VAL H 1 59 SER QB 5.000 . 5.000 4.059 3.913 4.139 . 0 0 "[ . 1 . ]" 1
321 1 48 VAL MG2 1 60 THR H 5.000 . 5.000 4.064 3.956 4.164 . 0 0 "[ . 1 . ]" 1
322 1 48 VAL MG2 1 60 THR MG 3.500 . 3.500 2.864 2.786 2.959 . 0 0 "[ . 1 . ]" 1
323 1 48 VAL MG1 1 60 THR MG 3.500 . 3.500 1.818 1.785 1.869 0.015 6 0 "[ . 1 . ]" 1
324 1 48 VAL MG1 1 60 THR H 3.500 . 3.500 3.516 3.503 3.525 0.025 15 0 "[ . 1 . ]" 1
325 1 48 VAL H 1 60 THR MG 5.000 . 5.000 3.887 3.753 4.057 . 0 0 "[ . 1 . ]" 1
326 1 48 VAL H 1 60 THR H 5.000 . 5.000 4.285 4.154 4.438 . 0 0 "[ . 1 . ]" 1
327 1 48 VAL MG2 1 158 TRP HH2 5.000 . 5.000 1.990 1.932 2.166 . 0 0 "[ . 1 . ]" 1
328 1 48 VAL MG2 1 158 TRP HZ3 3.500 . 3.500 2.787 2.669 3.015 . 0 0 "[ . 1 . ]" 1
329 1 48 VAL MG1 1 158 TRP HH2 3.500 . 3.500 3.517 3.503 3.533 0.033 17 0 "[ . 1 . ]" 1
330 1 48 VAL MG1 1 158 TRP HZ3 3.500 . 3.500 3.503 3.446 3.519 0.019 17 0 "[ . 1 . ]" 1
331 1 49 TRP HA 1 50 GLU H 5.000 . 5.000 2.302 2.275 2.327 . 0 0 "[ . 1 . ]" 1
332 1 49 TRP QB 1 50 GLU H 5.000 . 5.000 3.380 3.351 3.423 . 0 0 "[ . 1 . ]" 1
333 1 49 TRP HD1 1 50 GLU H 5.000 . 5.000 3.255 3.088 3.389 . 0 0 "[ . 1 . ]" 1
334 1 49 TRP H 1 50 GLU H 5.000 . 5.000 4.421 4.404 4.431 . 0 0 "[ . 1 . ]" 1
335 1 49 TRP HE1 1 51 ASP QB 5.000 . 5.000 2.961 1.956 3.717 . 0 0 "[ . 1 . ]" 1
336 1 49 TRP HZ2 1 51 ASP QB 5.000 . 5.000 2.083 1.825 3.302 . 0 0 "[ . 1 . ]" 1
337 1 49 TRP HH2 1 56 LEU QB 5.000 . 5.000 2.005 1.889 2.250 . 0 0 "[ . 1 . ]" 1
338 1 49 TRP HH2 1 56 LEU MD2 5.000 . 5.000 1.808 1.778 1.841 0.022 8 0 "[ . 1 . ]" 1
339 1 49 TRP HH2 1 56 LEU HG 5.000 . 5.000 2.390 2.172 2.714 . 0 0 "[ . 1 . ]" 1
340 1 49 TRP HZ2 1 56 LEU MD2 3.500 . 3.500 3.568 3.549 3.608 0.108 8 0 "[ . 1 . ]" 1
341 1 49 TRP HZ3 1 56 LEU QB 5.000 . 5.000 3.640 3.442 3.887 . 0 0 "[ . 1 . ]" 1
342 1 49 TRP HZ3 1 56 LEU HG 5.000 . 5.000 2.029 1.932 2.226 . 0 0 "[ . 1 . ]" 1
343 1 49 TRP HA 1 58 VAL H 5.000 . 5.000 4.491 4.427 4.578 . 0 0 "[ . 1 . ]" 1
344 1 49 TRP QB 1 58 VAL HB 5.000 . 5.000 2.468 2.298 2.590 . 0 0 "[ . 1 . ]" 1
345 1 49 TRP QB 1 58 VAL H 5.000 . 5.000 3.460 3.336 3.624 . 0 0 "[ . 1 . ]" 1
346 1 49 TRP QB 1 58 VAL MG2 5.000 . 5.000 3.329 3.109 3.485 . 0 0 "[ . 1 . ]" 1
347 1 49 TRP HE3 1 58 VAL HB 5.000 . 5.000 2.097 1.961 2.342 . 0 0 "[ . 1 . ]" 1
348 1 49 TRP HE3 1 58 VAL MG1 5.000 . 5.000 3.743 3.628 3.956 . 0 0 "[ . 1 . ]" 1
349 1 49 TRP HE3 1 58 VAL MG2 3.500 . 3.500 2.062 1.950 2.192 . 0 0 "[ . 1 . ]" 1
350 1 49 TRP HE3 1 58 VAL H 5.000 . 5.000 1.918 1.810 1.982 . 0 0 "[ . 1 . ]" 1
351 1 49 TRP H 1 58 VAL HA 5.000 . 5.000 4.695 4.655 4.725 . 0 0 "[ . 1 . ]" 1
352 1 49 TRP H 1 58 VAL HB 5.000 . 5.000 2.856 2.758 2.958 . 0 0 "[ . 1 . ]" 1
353 1 49 TRP H 1 58 VAL MG1 5.000 . 5.000 3.612 3.568 3.671 . 0 0 "[ . 1 . ]" 1
354 1 49 TRP H 1 58 VAL H 5.000 . 5.000 2.727 2.640 2.795 . 0 0 "[ . 1 . ]" 1
355 1 49 TRP HZ3 1 58 VAL MG2 5.000 . 5.000 2.360 2.105 2.721 . 0 0 "[ . 1 . ]" 1
356 1 49 TRP HE3 1 156 LEU MD2 5.000 . 5.000 3.461 3.225 3.702 . 0 0 "[ . 1 . ]" 1
357 1 49 TRP HH2 1 156 LEU MD2 5.000 . 5.000 3.594 3.183 3.985 . 0 0 "[ . 1 . ]" 1
358 1 49 TRP HH2 1 156 LEU MD1 5.000 . 5.000 3.583 3.262 3.874 . 0 0 "[ . 1 . ]" 1
359 1 49 TRP HZ2 1 156 LEU MD2 5.000 . 5.000 4.648 4.370 5.004 0.004 11 0 "[ . 1 . ]" 1
360 1 49 TRP HZ3 1 156 LEU MD1 5.000 . 5.000 4.338 4.020 4.520 . 0 0 "[ . 1 . ]" 1
361 1 49 TRP HZ3 1 156 LEU MD2 3.500 . 3.500 2.823 2.485 3.185 . 0 0 "[ . 1 . ]" 1
362 1 49 TRP QB 1 158 TRP HH2 5.000 . 5.000 2.764 2.686 2.837 . 0 0 "[ . 1 . ]" 1
363 1 50 GLU H 1 50 GLU QG 5.000 . 5.000 4.071 2.743 4.355 . 0 0 "[ . 1 . ]" 1
364 1 50 GLU HA 1 51 ASP H 5.000 . 5.000 2.149 2.137 2.169 . 0 0 "[ . 1 . ]" 1
365 1 50 GLU H 1 51 ASP H 5.000 . 5.000 3.965 3.737 4.068 . 0 0 "[ . 1 . ]" 1
366 1 50 GLU QB 1 57 LEU MD1 3.500 . 3.500 3.453 3.171 3.520 0.020 13 0 "[ . 1 . ]" 1
367 1 50 GLU QG 1 57 LEU MD1 3.500 . 3.500 2.578 2.058 3.517 0.017 9 0 "[ . 1 . ]" 1
368 1 50 GLU HA 1 58 VAL H 5.000 . 5.000 3.565 3.465 3.701 . 0 0 "[ . 1 . ]" 1
369 1 51 ASP HA 1 52 TYR H 5.000 . 5.000 2.143 2.123 2.179 . 0 0 "[ . 1 . ]" 1
370 1 51 ASP QB 1 52 TYR H 5.000 . 5.000 3.597 3.196 3.942 . 0 0 "[ . 1 . ]" 1
371 1 51 ASP H 1 52 TYR H 5.000 . 5.000 4.276 4.065 4.412 . 0 0 "[ . 1 . ]" 1
372 1 51 ASP QB 1 54 ARG H 5.000 . 5.000 2.678 2.276 3.248 . 0 0 "[ . 1 . ]" 1
373 1 51 ASP H 1 56 LEU QB 5.000 . 5.000 3.847 3.588 4.172 . 0 0 "[ . 1 . ]" 1
374 1 51 ASP H 1 56 LEU H 5.000 . 5.000 3.242 2.876 3.577 . 0 0 "[ . 1 . ]" 1
375 1 51 ASP H 1 57 LEU HA 5.000 . 5.000 3.297 3.112 3.539 . 0 0 "[ . 1 . ]" 1
376 1 52 TYR H 1 52 TYR QD 5.000 . 5.000 3.234 2.005 4.198 . 0 0 "[ . 1 . ]" 1
377 1 52 TYR QB 1 53 ASN H 5.000 . 5.000 3.020 2.395 3.557 . 0 0 "[ . 1 . ]" 1
378 1 52 TYR QD 1 53 ASN H 5.000 . 5.000 3.504 2.471 4.528 . 0 0 "[ . 1 . ]" 1
379 1 52 TYR H 1 53 ASN H 5.000 . 5.000 2.671 2.578 2.784 . 0 0 "[ . 1 . ]" 1
380 1 53 ASN H 1 54 ARG H 5.000 . 5.000 2.624 2.536 2.739 . 0 0 "[ . 1 . ]" 1
381 1 53 ASN H 1 55 ASP H 5.000 . 5.000 3.855 3.669 3.983 . 0 0 "[ . 1 . ]" 1
382 1 53 ASN H 1 112 SER H 5.000 . 5.000 5.064 5.023 5.156 0.156 9 0 "[ . 1 . ]" 1
383 1 54 ARG H 1 55 ASP H 5.000 . 5.000 2.106 1.992 2.272 . 0 0 "[ . 1 . ]" 1
384 1 55 ASP HA 1 56 LEU H 5.000 . 5.000 2.786 2.625 2.854 . 0 0 "[ . 1 . ]" 1
385 1 55 ASP H 1 56 LEU H 5.000 . 5.000 2.807 2.746 2.898 . 0 0 "[ . 1 . ]" 1
386 1 56 LEU H 1 56 LEU MD2 5.000 . 5.000 4.446 4.330 4.579 . 0 0 "[ . 1 . ]" 1
387 1 56 LEU H 1 56 LEU MD1 5.000 . 5.000 4.380 4.276 4.521 . 0 0 "[ . 1 . ]" 1
388 1 56 LEU H 1 56 LEU HG 5.000 . 5.000 4.462 4.379 4.592 . 0 0 "[ . 1 . ]" 1
389 1 56 LEU HA 1 57 LEU H 5.000 . 5.000 2.287 2.169 2.330 . 0 0 "[ . 1 . ]" 1
390 1 56 LEU QB 1 57 LEU H 5.000 . 5.000 3.481 3.392 3.677 . 0 0 "[ . 1 . ]" 1
391 1 56 LEU MD2 1 57 LEU H 5.000 . 5.000 3.921 3.776 4.327 . 0 0 "[ . 1 . ]" 1
392 1 56 LEU HG 1 57 LEU HA 5.000 . 5.000 3.538 3.398 3.772 . 0 0 "[ . 1 . ]" 1
393 1 56 LEU HG 1 57 LEU H 5.000 . 5.000 2.256 2.058 2.782 . 0 0 "[ . 1 . ]" 1
394 1 56 LEU H 1 57 LEU H 5.000 . 5.000 4.426 4.290 4.469 . 0 0 "[ . 1 . ]" 1
395 1 56 LEU MD2 1 151 ALA MB 3.500 . 3.500 3.416 3.212 3.516 0.016 6 0 "[ . 1 . ]" 1
396 1 56 LEU MD2 1 153 VAL MG2 3.500 . 3.500 3.011 2.718 3.344 . 0 0 "[ . 1 . ]" 1
397 1 56 LEU MD2 1 153 VAL MG1 3.500 . 3.500 3.376 2.915 3.507 0.007 10 0 "[ . 1 . ]" 1
398 1 56 LEU QB 1 156 LEU HG 5.000 . 5.000 4.659 4.460 4.937 . 0 0 "[ . 1 . ]" 1
399 1 56 LEU MD2 1 156 LEU MD2 3.500 . 3.500 2.636 2.327 2.988 . 0 0 "[ . 1 . ]" 1
400 1 56 LEU MD2 1 156 LEU MD1 3.500 . 3.500 2.547 2.332 2.762 . 0 0 "[ . 1 . ]" 1
401 1 56 LEU HG 1 156 LEU MD2 5.000 . 5.000 3.873 3.622 4.310 . 0 0 "[ . 1 . ]" 1
402 1 57 LEU HA 1 58 VAL H 5.000 . 5.000 2.315 2.171 2.339 . 0 0 "[ . 1 . ]" 1
403 1 57 LEU QB 1 58 VAL H 5.000 . 5.000 2.561 2.512 2.921 . 0 0 "[ . 1 . ]" 1
404 1 57 LEU MD2 1 58 VAL H 5.000 . 5.000 3.669 3.560 4.259 . 0 0 "[ . 1 . ]" 1
405 1 57 LEU HG 1 58 VAL H 5.000 . 5.000 4.264 4.198 4.582 . 0 0 "[ . 1 . ]" 1
406 1 58 VAL HA 1 58 VAL MG1 3.500 . 3.500 2.589 2.544 2.622 . 0 0 "[ . 1 . ]" 1
407 1 58 VAL HA 1 58 VAL MG2 3.500 . 3.500 2.172 2.146 2.212 . 0 0 "[ . 1 . ]" 1
408 1 58 VAL HA 1 59 SER H 5.000 . 5.000 2.118 2.106 2.138 . 0 0 "[ . 1 . ]" 1
409 1 58 VAL HB 1 59 SER H 5.000 . 5.000 4.245 4.197 4.298 . 0 0 "[ . 1 . ]" 1
410 1 58 VAL MG1 1 59 SER H 5.000 . 5.000 2.640 2.571 2.763 . 0 0 "[ . 1 . ]" 1
411 1 58 VAL MG2 1 59 SER H 5.000 . 5.000 3.784 3.716 3.842 . 0 0 "[ . 1 . ]" 1
412 1 58 VAL MG1 1 158 TRP HH2 3.500 . 3.500 3.518 3.510 3.524 0.024 6 0 "[ . 1 . ]" 1
413 1 58 VAL MG2 1 158 TRP HH2 5.000 . 5.000 4.731 4.659 4.812 . 0 0 "[ . 1 . ]" 1
414 1 58 VAL MG1 1 159 LEU MD2 3.500 . 3.500 2.684 2.536 2.819 . 0 0 "[ . 1 . ]" 1
415 1 58 VAL MG2 1 159 LEU MD2 3.500 . 3.500 2.375 2.082 2.593 . 0 0 "[ . 1 . ]" 1
416 1 58 VAL MG2 1 159 LEU HG 3.500 . 3.500 3.554 3.529 3.577 0.077 3 0 "[ . 1 . ]" 1
417 1 59 SER HA 1 60 THR H 5.000 . 5.000 2.366 2.356 2.377 . 0 0 "[ . 1 . ]" 1
418 1 59 SER HA 1 60 THR MG 3.500 . 3.500 3.392 3.355 3.435 . 0 0 "[ . 1 . ]" 1
419 1 59 SER QB 1 60 THR H 5.000 . 5.000 2.830 2.695 3.384 . 0 0 "[ . 1 . ]" 1
420 1 60 THR HA 1 60 THR MG 3.500 . 3.500 2.413 2.357 2.460 . 0 0 "[ . 1 . ]" 1
421 1 60 THR H 1 60 THR MG 3.500 . 3.500 2.404 2.360 2.467 . 0 0 "[ . 1 . ]" 1
422 1 60 THR HA 1 61 THR H 5.000 . 5.000 2.142 2.101 2.213 . 0 0 "[ . 1 . ]" 1
423 1 60 THR HB 1 61 THR H 5.000 . 5.000 3.179 2.860 3.458 . 0 0 "[ . 1 . ]" 1
424 1 60 THR MG 1 61 THR H 5.000 . 5.000 4.085 3.945 4.184 . 0 0 "[ . 1 . ]" 1
425 1 61 THR HB 1 63 ALA H 5.000 . 5.000 4.521 3.929 5.016 0.016 16 0 "[ . 1 . ]" 1
426 1 61 THR MG 1 63 ALA H 5.000 . 5.000 3.323 2.499 4.292 . 0 0 "[ . 1 . ]" 1
427 1 62 THR HA 1 62 THR MG 3.500 . 3.500 2.524 2.072 3.227 . 0 0 "[ . 1 . ]" 1
428 1 64 HIS HA 1 65 GLY H 5.000 . 5.000 2.221 2.144 2.264 . 0 0 "[ . 1 . ]" 1
429 1 64 HIS QB 1 65 GLY H 5.000 . 5.000 3.083 2.756 3.718 . 0 0 "[ . 1 . ]" 1
430 1 66 CYS QB 1 67 ASP H 5.000 . 5.000 2.782 2.178 3.815 . 0 0 "[ . 1 . ]" 1
431 1 67 ASP HA 1 68 THR H 5.000 . 5.000 2.244 2.170 2.476 . 0 0 "[ . 1 . ]" 1
432 1 67 ASP QB 1 68 THR H 5.000 . 5.000 2.824 2.230 3.105 . 0 0 "[ . 1 . ]" 1
433 1 67 ASP QB 1 136 VAL MG1 3.500 . 3.500 3.507 3.448 3.530 0.030 10 0 "[ . 1 . ]" 1
434 1 67 ASP QB 1 136 VAL MG2 3.500 . 3.500 2.270 2.055 2.489 . 0 0 "[ . 1 . ]" 1
435 1 68 THR HA 1 68 THR MG 3.500 . 3.500 2.385 2.321 2.478 . 0 0 "[ . 1 . ]" 1
436 1 68 THR HA 1 69 ILE H 5.000 . 5.000 2.145 2.138 2.152 . 0 0 "[ . 1 . ]" 1
437 1 68 THR HB 1 69 ILE H 5.000 . 5.000 4.275 4.203 4.309 . 0 0 "[ . 1 . ]" 1
438 1 68 THR MG 1 69 ILE H 5.000 . 5.000 2.863 2.614 3.026 . 0 0 "[ . 1 . ]" 1
439 1 68 THR MG 1 135 GLY QA 3.500 . 3.500 3.411 3.241 3.504 0.004 2 0 "[ . 1 . ]" 1
440 1 68 THR HB 1 136 VAL H 5.000 . 5.000 4.592 4.370 4.704 . 0 0 "[ . 1 . ]" 1
441 1 68 THR MG 1 136 VAL H 5.000 . 5.000 4.201 4.111 4.341 . 0 0 "[ . 1 . ]" 1
442 1 68 THR H 1 136 VAL MG1 5.000 . 5.000 5.002 4.895 5.017 0.017 3 0 "[ . 1 . ]" 1
443 1 68 THR H 1 136 VAL MG2 5.000 . 5.000 2.620 2.466 2.677 . 0 0 "[ . 1 . ]" 1
444 1 69 ILE HA 1 69 ILE MG 3.500 . 3.500 2.204 2.160 2.243 . 0 0 "[ . 1 . ]" 1
445 1 69 ILE HB 1 69 ILE MD 3.500 . 3.500 3.024 2.783 3.222 . 0 0 "[ . 1 . ]" 1
446 1 69 ILE MD 1 69 ILE MG 3.500 . 3.500 1.791 1.750 1.866 0.050 12 0 "[ . 1 . ]" 1
447 1 69 ILE H 1 69 ILE MD 5.000 . 5.000 3.503 3.022 3.667 . 0 0 "[ . 1 . ]" 1
448 1 69 ILE H 1 69 ILE QG 5.000 . 5.000 1.876 1.761 1.983 0.039 6 0 "[ . 1 . ]" 1
449 1 69 ILE HA 1 70 ALA H 5.000 . 5.000 2.193 2.172 2.202 . 0 0 "[ . 1 . ]" 1
450 1 69 ILE HB 1 70 ALA H 5.000 . 5.000 3.696 3.643 3.785 . 0 0 "[ . 1 . ]" 1
451 1 69 ILE MD 1 70 ALA H 5.000 . 5.000 4.472 4.045 4.811 . 0 0 "[ . 1 . ]" 1
452 1 69 ILE QG 1 70 ALA H 5.000 . 5.000 4.540 4.468 4.651 . 0 0 "[ . 1 . ]" 1
453 1 69 ILE MG 1 70 ALA H 5.000 . 5.000 2.314 2.255 2.357 . 0 0 "[ . 1 . ]" 1
454 1 69 ILE HA 1 135 GLY QA 3.500 . 3.500 3.560 3.532 3.592 0.092 14 0 "[ . 1 . ]" 1
455 1 69 ILE HA 1 136 VAL HB 3.500 . 3.500 1.827 1.799 1.850 0.001 2 0 "[ . 1 . ]" 1
456 1 69 ILE HA 1 136 VAL MG1 3.500 . 3.500 3.568 3.547 3.584 0.084 3 0 "[ . 1 . ]" 1
457 1 69 ILE HA 1 136 VAL MG2 3.500 . 3.500 2.423 2.283 2.622 . 0 0 "[ . 1 . ]" 1
458 1 69 ILE HA 1 136 VAL H 5.000 . 5.000 1.829 1.800 1.866 . 0 0 "[ . 1 . ]" 1
459 1 69 ILE MD 1 136 VAL HB 3.500 . 3.500 2.521 1.989 2.922 . 0 0 "[ . 1 . ]" 1
460 1 69 ILE MD 1 136 VAL MG1 3.500 . 3.500 2.894 2.505 3.192 . 0 0 "[ . 1 . ]" 1
461 1 69 ILE MD 1 136 VAL MG2 3.500 . 3.500 3.150 2.357 3.544 0.044 1 0 "[ . 1 . ]" 1
462 1 69 ILE MD 1 136 VAL H 5.000 . 5.000 4.545 3.938 4.994 . 0 0 "[ . 1 . ]" 1
463 1 69 ILE QG 1 136 VAL HB 5.000 . 5.000 3.230 2.607 3.632 . 0 0 "[ . 1 . ]" 1
464 1 69 ILE QG 1 136 VAL MG2 3.500 . 3.500 3.078 2.570 3.505 0.005 6 0 "[ . 1 . ]" 1
465 1 69 ILE MG 1 136 VAL H 5.000 . 5.000 3.366 3.303 3.512 . 0 0 "[ . 1 . ]" 1
466 1 69 ILE MG 1 136 VAL HB 3.500 . 3.500 2.130 1.954 2.271 . 0 0 "[ . 1 . ]" 1
467 1 69 ILE MG 1 137 ILE HA 3.500 . 3.500 3.414 3.250 3.508 0.008 3 0 "[ . 1 . ]" 1
468 1 69 ILE MD 1 153 VAL HB 3.500 . 3.500 2.826 2.426 3.268 . 0 0 "[ . 1 . ]" 1
469 1 69 ILE MG 1 153 VAL HB 3.500 . 3.500 2.416 2.207 2.644 . 0 0 "[ . 1 . ]" 1
470 1 69 ILE MG 1 154 ARG QG 5.000 . 5.000 4.107 3.212 4.925 . 0 0 "[ . 1 . ]" 1
471 1 69 ILE HB 1 157 LEU MD2 3.500 . 3.500 3.166 2.648 3.524 0.024 11 0 "[ . 1 . ]" 1
472 1 69 ILE HB 1 157 LEU MD1 3.500 . 3.500 1.781 1.762 1.832 0.038 11 0 "[ . 1 . ]" 1
473 1 69 ILE MD 1 157 LEU MD2 3.500 . 3.500 3.216 2.887 3.522 0.022 4 0 "[ . 1 . ]" 1
474 1 69 ILE MD 1 157 LEU MD1 5.000 . 5.000 2.550 2.008 3.232 . 0 0 "[ . 1 . ]" 1
475 1 69 ILE QG 1 157 LEU MD1 3.500 . 3.500 2.256 2.088 2.383 . 0 0 "[ . 1 . ]" 1
476 1 69 ILE QG 1 157 LEU MD2 5.000 . 5.000 3.826 3.413 4.017 . 0 0 "[ . 1 . ]" 1
477 1 69 ILE MG 1 157 LEU MD2 3.500 . 3.500 1.896 1.788 2.020 0.012 11 0 "[ . 1 . ]" 1
478 1 69 ILE MG 1 157 LEU MD1 3.500 . 3.500 1.961 1.819 2.315 . 0 0 "[ . 1 . ]" 1
479 1 70 ALA MB 1 72 CYS H 5.000 . 5.000 2.536 2.029 3.104 . 0 0 "[ . 1 . ]" 1
480 1 70 ALA MB 1 134 HIS QB 5.000 . 5.000 1.878 1.797 2.027 0.003 11 0 "[ . 1 . ]" 1
481 1 70 ALA MB 1 134 HIS H 5.000 . 5.000 3.476 3.217 3.963 . 0 0 "[ . 1 . ]" 1
482 1 70 ALA MB 1 135 GLY QA 3.500 . 3.500 2.173 1.941 2.611 . 0 0 "[ . 1 . ]" 1
483 1 70 ALA MB 1 135 GLY H 5.000 . 5.000 2.316 2.086 2.804 . 0 0 "[ . 1 . ]" 1
484 1 70 ALA H 1 135 GLY QA 5.000 . 5.000 2.987 2.840 3.133 . 0 0 "[ . 1 . ]" 1
485 1 70 ALA MB 1 136 VAL H 5.000 . 5.000 2.801 2.668 3.325 . 0 0 "[ . 1 . ]" 1
486 1 70 ALA H 1 136 VAL H 5.000 . 5.000 2.005 1.917 2.539 . 0 0 "[ . 1 . ]" 1
487 1 70 ALA MB 1 137 ILE MD 3.500 . 3.500 3.320 2.578 3.526 0.026 4 0 "[ . 1 . ]" 1
488 1 70 ALA MB 1 137 ILE QG 3.500 . 3.500 3.319 2.468 3.533 0.033 2 0 "[ . 1 . ]" 1
489 1 72 CYS HA 1 73 GLN H 5.000 . 5.000 2.413 2.245 2.447 . 0 0 "[ . 1 . ]" 1
490 1 72 CYS QB 1 73 GLN H 5.000 . 5.000 2.386 2.309 2.780 . 0 0 "[ . 1 . ]" 1
491 1 72 CYS HA 1 74 CYS H 5.000 . 5.000 4.304 3.914 4.923 . 0 0 "[ . 1 . ]" 1
492 1 72 CYS QB 1 74 CYS H 5.000 . 5.000 2.765 2.066 3.812 . 0 0 "[ . 1 . ]" 1
493 1 72 CYS H 1 163 ALA H 5.000 . 5.000 5.029 5.007 5.046 0.046 8 0 "[ . 1 . ]" 1
494 1 73 GLN HA 1 73 GLN QG 3.500 . 3.500 2.280 2.042 3.319 . 0 0 "[ . 1 . ]" 1
495 1 73 GLN H 1 73 GLN QG 5.000 . 5.000 3.614 1.969 4.147 . 0 0 "[ . 1 . ]" 1
496 1 73 GLN HA 1 74 CYS H 5.000 . 5.000 2.932 2.627 3.554 . 0 0 "[ . 1 . ]" 1
497 1 73 GLN QB 1 74 CYS H 5.000 . 5.000 3.713 2.050 4.027 . 0 0 "[ . 1 . ]" 1
498 1 73 GLN QG 1 74 CYS H 5.000 . 5.000 4.506 3.821 4.896 . 0 0 "[ . 1 . ]" 1
499 1 73 GLN H 1 74 CYS H 5.000 . 5.000 2.663 2.399 3.427 . 0 0 "[ . 1 . ]" 1
500 1 74 CYS HA 1 75 THR H 5.000 . 5.000 2.221 2.146 2.411 . 0 0 "[ . 1 . ]" 1
501 1 74 CYS QB 1 75 THR H 5.000 . 5.000 2.936 2.360 3.295 . 0 0 "[ . 1 . ]" 1
502 1 74 CYS H 1 75 THR H 5.000 . 5.000 4.569 4.419 4.638 . 0 0 "[ . 1 . ]" 1
503 1 74 CYS HA 1 76 THR H 5.000 . 5.000 3.693 3.492 4.048 . 0 0 "[ . 1 . ]" 1
504 1 74 CYS QB 1 76 THR H 5.000 . 5.000 2.541 2.377 2.688 . 0 0 "[ . 1 . ]" 1
505 1 75 THR HA 1 75 THR MG 3.500 . 3.500 2.433 2.115 3.208 . 0 0 "[ . 1 . ]" 1
506 1 75 THR HA 1 76 THR H 5.000 . 5.000 3.314 3.134 3.431 . 0 0 "[ . 1 . ]" 1
507 1 75 THR MG 1 76 THR H 5.000 . 5.000 3.905 2.522 4.381 . 0 0 "[ . 1 . ]" 1
508 1 75 THR H 1 76 THR H 5.000 . 5.000 2.434 1.962 2.619 . 0 0 "[ . 1 . ]" 1
509 1 75 THR MG 1 91 SER QB 3.500 . 3.500 3.477 3.333 3.510 0.010 6 0 "[ . 1 . ]" 1
510 1 75 THR HB 1 92 PHE H 5.000 . 5.000 4.976 4.819 5.028 0.028 6 0 "[ . 1 . ]" 1
511 1 75 THR MG 1 92 PHE H 5.000 . 5.000 3.805 2.973 4.770 . 0 0 "[ . 1 . ]" 1
512 1 76 THR HA 1 76 THR MG 3.500 . 3.500 2.623 2.408 3.199 . 0 0 "[ . 1 . ]" 1
513 1 76 THR HA 1 77 GLY H 5.000 . 5.000 2.199 2.109 2.435 . 0 0 "[ . 1 . ]" 1
514 1 76 THR HB 1 77 GLY H 5.000 . 5.000 3.221 2.362 3.924 . 0 0 "[ . 1 . ]" 1
515 1 76 THR MG 1 77 GLY H 5.000 . 5.000 4.122 3.798 4.297 . 0 0 "[ . 1 . ]" 1
516 1 76 THR MG 1 91 SER QB 3.500 . 3.500 2.730 2.001 3.526 0.026 6 0 "[ . 1 . ]" 1
517 1 77 GLY QA 1 78 VAL H 5.000 . 5.000 2.253 2.182 2.309 . 0 0 "[ . 1 . ]" 1
518 1 77 GLY H 1 90 VAL H 5.000 . 5.000 3.307 3.026 3.596 . 0 0 "[ . 1 . ]" 1
519 1 77 GLY QA 1 130 LEU MD1 3.500 . 3.500 2.458 1.953 2.889 . 0 0 "[ . 1 . ]" 1
520 1 77 GLY QA 1 137 ILE MD 3.500 . 3.500 3.446 3.061 3.538 0.038 5 0 "[ . 1 . ]" 1
521 1 78 VAL HA 1 78 VAL MG1 3.500 . 3.500 3.201 3.191 3.207 . 0 0 "[ . 1 . ]" 1
522 1 78 VAL HA 1 78 VAL MG2 3.500 . 3.500 2.367 2.306 2.449 . 0 0 "[ . 1 . ]" 1
523 1 78 VAL MG1 1 87 HIS QB 5.000 . 5.000 3.231 2.905 3.771 . 0 0 "[ . 1 . ]" 1
524 1 78 VAL MG2 1 87 HIS QB 5.000 . 5.000 1.869 1.792 2.287 0.008 8 0 "[ . 1 . ]" 1
525 1 78 VAL HB 1 88 TYR H 5.000 . 5.000 5.012 4.865 5.064 0.064 10 0 "[ . 1 . ]" 1
526 1 78 VAL MG1 1 88 TYR H 5.000 . 5.000 4.585 4.365 4.749 . 0 0 "[ . 1 . ]" 1
527 1 78 VAL MG2 1 88 TYR H 5.000 . 5.000 2.224 2.095 2.322 . 0 0 "[ . 1 . ]" 1
528 1 78 VAL HA 1 89 PRO QB 5.000 . 5.000 3.884 3.685 4.210 . 0 0 "[ . 1 . ]" 1
529 1 78 VAL HA 1 89 PRO QG 5.000 . 5.000 4.645 4.485 4.951 . 0 0 "[ . 1 . ]" 1
530 1 78 VAL HB 1 89 PRO QG 3.500 . 3.500 3.517 3.453 3.560 0.060 8 0 "[ . 1 . ]" 1
531 1 78 VAL MG1 1 89 PRO QB 5.000 . 5.000 4.437 4.266 4.618 . 0 0 "[ . 1 . ]" 1
532 1 78 VAL MG1 1 89 PRO QG 5.000 . 5.000 4.544 4.359 4.690 . 0 0 "[ . 1 . ]" 1
533 1 78 VAL MG2 1 89 PRO QB 3.500 . 3.500 3.515 3.366 3.549 0.049 16 0 "[ . 1 . ]" 1
534 1 78 VAL MG2 1 89 PRO QG 5.000 . 5.000 2.898 2.662 3.028 . 0 0 "[ . 1 . ]" 1
535 1 78 VAL HA 1 90 VAL H 5.000 . 5.000 2.497 2.330 2.785 . 0 0 "[ . 1 . ]" 1
536 1 78 VAL H 1 130 LEU MD1 5.000 . 5.000 2.661 2.101 3.264 . 0 0 "[ . 1 . ]" 1
537 1 78 VAL MG1 1 131 ARG H 3.500 . 3.500 3.256 2.759 3.508 0.008 17 0 "[ . 1 . ]" 1
538 1 78 VAL H 1 131 ARG H 5.000 . 5.000 3.936 3.462 4.447 . 0 0 "[ . 1 . ]" 1
539 1 79 TYR QD 1 88 TYR QB 5.000 . 5.000 3.473 2.949 4.054 . 0 0 "[ . 1 . ]" 1
540 1 79 TYR QD 1 90 VAL MG2 3.500 . 3.500 3.088 2.074 3.572 0.072 8 0 "[ . 1 . ]" 1
541 1 79 TYR QD 1 90 VAL MG1 3.500 . 3.500 2.867 1.859 3.565 0.065 1 0 "[ . 1 . ]" 1
542 1 79 TYR QE 1 90 VAL MG2 3.500 . 3.500 2.211 1.809 2.973 . 0 0 "[ . 1 . ]" 1
543 1 79 TYR QE 1 90 VAL MG1 3.500 . 3.500 2.784 2.038 3.239 . 0 0 "[ . 1 . ]" 1
544 1 84 LYS HA 1 84 LYS QD 3.500 . 3.500 2.775 1.939 3.484 . 0 0 "[ . 1 . ]" 1
545 1 84 LYS H 1 84 LYS QG 5.000 . 5.000 3.207 1.969 4.324 . 0 0 "[ . 1 . ]" 1
546 1 84 LYS HA 1 85 SER H 5.000 . 5.000 3.145 2.167 3.480 . 0 0 "[ . 1 . ]" 1
547 1 84 LYS H 1 85 SER H 5.000 . 5.000 2.883 1.793 4.530 0.007 5 0 "[ . 1 . ]" 1
548 1 84 LYS QB 1 86 LYS QB 3.500 . 3.500 3.008 2.566 3.527 0.027 7 0 "[ . 1 . ]" 1
549 1 84 LYS QB 1 86 LYS QD 3.500 . 3.500 2.253 1.895 2.883 . 0 0 "[ . 1 . ]" 1
550 1 84 LYS QB 1 86 LYS QG 5.000 . 5.000 3.726 1.801 4.468 . 0 0 "[ . 1 . ]" 1
551 1 84 LYS QB 1 86 LYS H 3.500 . 3.500 2.687 2.369 3.274 . 0 0 "[ . 1 . ]" 1
552 1 84 LYS QD 1 86 LYS QD 3.500 . 3.500 2.900 1.849 3.592 0.092 7 0 "[ . 1 . ]" 1
553 1 84 LYS HA 1 88 TYR QE 5.000 . 5.000 5.023 5.011 5.040 0.040 15 0 "[ . 1 . ]" 1
554 1 84 LYS QB 1 88 TYR QE 5.000 . 5.000 2.532 2.177 2.894 . 0 0 "[ . 1 . ]" 1
555 1 84 LYS QG 1 88 TYR QE 5.000 . 5.000 2.856 1.931 3.915 . 0 0 "[ . 1 . ]" 1
556 1 85 SER HA 1 86 LYS H 5.000 . 5.000 2.970 2.664 3.252 . 0 0 "[ . 1 . ]" 1
557 1 85 SER QB 1 86 LYS H 5.000 . 5.000 3.770 3.452 4.061 . 0 0 "[ . 1 . ]" 1
558 1 85 SER H 1 86 LYS H 5.000 . 5.000 2.754 2.592 3.334 . 0 0 "[ . 1 . ]" 1
559 1 86 LYS HA 1 86 LYS QG 3.500 . 3.500 2.606 2.402 3.338 . 0 0 "[ . 1 . ]" 1
560 1 86 LYS QB 1 86 LYS QD 3.500 . 3.500 2.053 1.910 2.186 . 0 0 "[ . 1 . ]" 1
561 1 86 LYS QB 1 86 LYS QE 3.500 . 3.500 2.583 2.228 3.142 . 0 0 "[ . 1 . ]" 1
562 1 86 LYS H 1 86 LYS QD 3.500 . 3.500 3.275 2.537 3.524 0.024 17 0 "[ . 1 . ]" 1
563 1 86 LYS QE 1 86 LYS QG 3.500 . 3.500 2.239 1.929 2.549 . 0 0 "[ . 1 . ]" 1
564 1 86 LYS H 1 86 LYS QG 3.500 . 3.500 3.075 2.162 3.436 . 0 0 "[ . 1 . ]" 1
565 1 86 LYS HA 1 87 HIS H 5.000 . 5.000 2.470 2.440 2.488 . 0 0 "[ . 1 . ]" 1
566 1 86 LYS QB 1 87 HIS H 5.000 . 5.000 2.301 2.183 2.885 . 0 0 "[ . 1 . ]" 1
567 1 86 LYS QD 1 87 HIS H 5.000 . 5.000 4.961 4.276 5.043 0.043 15 0 "[ . 1 . ]" 1
568 1 86 LYS QG 1 87 HIS H 5.000 . 5.000 3.794 2.342 4.050 . 0 0 "[ . 1 . ]" 1
569 1 86 LYS QB 1 88 TYR QE 3.500 . 3.500 3.165 2.144 3.677 0.177 7 0 "[ . 1 . ]" 1
570 1 86 LYS QD 1 88 TYR QE 3.500 . 3.500 3.041 1.816 3.503 0.003 10 0 "[ . 1 . ]" 1
571 1 86 LYS QE 1 88 TYR QE 3.500 . 3.500 3.399 2.663 3.522 0.022 17 0 "[ . 1 . ]" 1
572 1 86 LYS QG 1 88 TYR QE 5.000 . 5.000 4.577 1.788 5.010 0.012 7 0 "[ . 1 . ]" 1
573 1 87 HIS QB 1 88 TYR H 5.000 . 5.000 3.246 2.961 3.535 . 0 0 "[ . 1 . ]" 1
574 1 88 TYR HA 1 88 TYR QD 3.500 . 3.500 2.897 2.695 3.060 . 0 0 "[ . 1 . ]" 1
575 1 88 TYR HA 1 89 PRO QB 5.000 . 5.000 4.720 4.706 4.727 . 0 0 "[ . 1 . ]" 1
576 1 88 TYR HA 1 89 PRO QD 3.500 . 3.500 1.853 1.814 1.901 . 0 0 "[ . 1 . ]" 1
577 1 88 TYR HA 1 89 PRO QG 5.000 . 5.000 3.752 3.694 3.805 . 0 0 "[ . 1 . ]" 1
578 1 88 TYR QB 1 89 PRO QD 5.000 . 5.000 3.523 3.404 3.571 . 0 0 "[ . 1 . ]" 1
579 1 88 TYR QD 1 89 PRO QD 5.000 . 5.000 3.720 3.437 3.835 . 0 0 "[ . 1 . ]" 1
580 1 88 TYR QE 1 119 GLY QA 5.000 . 5.000 5.015 4.945 5.037 0.037 7 0 "[ . 1 . ]" 1
581 1 89 PRO HA 1 89 PRO QG 3.500 . 3.500 3.182 3.087 3.251 . 0 0 "[ . 1 . ]" 1
582 1 89 PRO QB 1 90 VAL H 5.000 . 5.000 3.454 3.185 3.486 . 0 0 "[ . 1 . ]" 1
583 1 90 VAL HA 1 90 VAL MG2 3.500 . 3.500 2.235 2.172 2.349 . 0 0 "[ . 1 . ]" 1
584 1 90 VAL HA 1 90 VAL MG1 3.500 . 3.500 2.731 2.290 3.193 . 0 0 "[ . 1 . ]" 1
585 1 90 VAL HA 1 91 SER H 5.000 . 5.000 2.253 2.188 2.357 . 0 0 "[ . 1 . ]" 1
586 1 90 VAL HB 1 91 SER H 5.000 . 5.000 3.994 3.757 4.087 . 0 0 "[ . 1 . ]" 1
587 1 90 VAL MG2 1 91 SER H 5.000 . 5.000 3.040 1.926 3.923 . 0 0 "[ . 1 . ]" 1
588 1 90 VAL MG1 1 91 SER H 5.000 . 5.000 2.589 2.038 3.208 . 0 0 "[ . 1 . ]" 1
589 1 90 VAL MG2 1 92 PHE QD 5.000 . 5.000 4.507 4.138 5.024 0.024 1 0 "[ . 1 . ]" 1
590 1 90 VAL MG2 1 92 PHE QE 5.000 . 5.000 4.350 3.646 4.951 . 0 0 "[ . 1 . ]" 1
591 1 90 VAL MG1 1 92 PHE HA 5.000 . 5.000 4.099 3.814 4.293 . 0 0 "[ . 1 . ]" 1
592 1 90 VAL MG1 1 92 PHE QB 3.500 . 3.500 3.539 3.509 3.560 0.060 6 0 "[ . 1 . ]" 1
593 1 90 VAL HB 1 117 ALA MB 3.500 . 3.500 3.377 2.712 3.572 0.072 15 0 "[ . 1 . ]" 1
594 1 90 VAL MG2 1 117 ALA MB 3.500 . 3.500 2.792 1.830 3.555 0.055 7 0 "[ . 1 . ]" 1
595 1 90 VAL MG1 1 117 ALA MB 3.500 . 3.500 1.728 1.678 1.762 0.122 10 0 "[ . 1 . ]" 1
596 1 90 VAL MG1 1 148 VAL MG1 5.000 . 5.000 3.857 3.309 5.029 0.029 11 0 "[ . 1 . ]" 1
597 1 90 VAL MG1 1 148 VAL MG2 3.500 . 3.500 2.730 2.398 3.366 . 0 0 "[ . 1 . ]" 1
598 1 91 SER HA 1 92 PHE H 5.000 . 5.000 2.188 2.160 2.219 . 0 0 "[ . 1 . ]" 1
599 1 91 SER QB 1 92 PHE H 5.000 . 5.000 3.188 3.063 3.329 . 0 0 "[ . 1 . ]" 1
600 1 91 SER H 1 117 ALA MB 5.000 . 5.000 3.604 3.254 4.169 . 0 0 "[ . 1 . ]" 1
601 1 92 PHE HA 1 93 GLU H 5.000 . 5.000 2.388 2.326 2.475 . 0 0 "[ . 1 . ]" 1
602 1 92 PHE QB 1 93 GLU H 5.000 . 5.000 2.414 2.135 2.531 . 0 0 "[ . 1 . ]" 1
603 1 92 PHE QB 1 115 LEU QB 5.000 . 5.000 2.347 2.141 2.824 . 0 0 "[ . 1 . ]" 1
604 1 92 PHE QD 1 115 LEU QB 5.000 . 5.000 3.670 3.411 3.785 . 0 0 "[ . 1 . ]" 1
605 1 92 PHE QE 1 115 LEU QB 5.000 . 5.000 4.778 4.398 5.020 0.020 5 0 "[ . 1 . ]" 1
606 1 92 PHE HA 1 117 ALA MB 5.000 . 5.000 2.569 1.987 3.377 . 0 0 "[ . 1 . ]" 1
607 1 92 PHE QB 1 117 ALA MB 5.000 . 5.000 1.865 1.792 1.983 0.008 13 0 "[ . 1 . ]" 1
608 1 92 PHE QD 1 117 ALA MB 5.000 . 5.000 1.820 1.754 1.977 0.046 1 0 "[ . 1 . ]" 1
609 1 92 PHE QE 1 117 ALA MB 3.500 . 3.500 3.372 3.184 3.548 0.048 13 0 "[ . 1 . ]" 1
610 1 92 PHE QD 1 130 LEU MD2 3.500 . 3.500 3.125 2.835 3.361 . 0 0 "[ . 1 . ]" 1
611 1 92 PHE QE 1 130 LEU MD1 3.500 . 3.500 2.157 1.807 2.714 . 0 0 "[ . 1 . ]" 1
612 1 92 PHE QE 1 130 LEU MD2 3.500 . 3.500 2.475 2.046 2.987 . 0 0 "[ . 1 . ]" 1
613 1 92 PHE QD 1 148 VAL MG1 5.000 . 5.000 4.670 4.287 4.846 . 0 0 "[ . 1 . ]" 1
614 1 92 PHE QD 1 148 VAL MG2 5.000 . 5.000 3.057 2.356 4.576 . 0 0 "[ . 1 . ]" 1
615 1 92 PHE QE 1 148 VAL MG1 5.000 . 5.000 4.920 4.565 5.059 0.059 6 0 "[ . 1 . ]" 1
616 1 92 PHE QE 1 148 VAL MG2 5.000 . 5.000 3.753 2.981 5.055 0.055 2 0 "[ . 1 . ]" 1
617 1 92 PHE QD 1 150 PHE QD 3.500 . 3.500 3.355 2.572 3.525 0.025 10 0 "[ . 1 . ]" 1
618 1 92 PHE QD 1 150 PHE QE 5.000 . 5.000 3.325 2.674 4.293 . 0 0 "[ . 1 . ]" 1
619 1 92 PHE QE 1 150 PHE QD 3.500 . 3.500 3.412 3.042 3.523 0.023 1 0 "[ . 1 . ]" 1
620 1 92 PHE QE 1 150 PHE QE 3.500 . 3.500 2.573 1.941 3.515 0.015 11 0 "[ . 1 . ]" 1
621 1 93 GLU HA 1 93 GLU QG 3.500 . 3.500 2.339 2.091 3.317 . 0 0 "[ . 1 . ]" 1
622 1 93 GLU H 1 93 GLU QG 5.000 . 5.000 3.574 1.978 4.179 . 0 0 "[ . 1 . ]" 1
623 1 93 GLU HA 1 94 GLY H 5.000 . 5.000 2.390 2.366 2.407 . 0 0 "[ . 1 . ]" 1
624 1 93 GLU QB 1 94 GLY H 5.000 . 5.000 2.814 2.530 3.318 . 0 0 "[ . 1 . ]" 1
625 1 93 GLU QG 1 94 GLY H 5.000 . 5.000 3.125 1.963 4.125 . 0 0 "[ . 1 . ]" 1
626 1 93 GLU H 1 116 LEU H 5.000 . 5.000 2.673 2.453 3.027 . 0 0 "[ . 1 . ]" 1
627 1 93 GLU H 1 117 ALA HA 5.000 . 5.000 4.212 4.058 4.389 . 0 0 "[ . 1 . ]" 1
628 1 93 GLU H 1 117 ALA MB 5.000 . 5.000 4.137 3.674 4.659 . 0 0 "[ . 1 . ]" 1
629 1 95 PRO HA 1 96 GLY H 5.000 . 5.000 2.163 2.147 2.184 . 0 0 "[ . 1 . ]" 1
630 1 95 PRO QB 1 96 GLY H 5.000 . 5.000 3.168 3.090 3.223 . 0 0 "[ . 1 . ]" 1
631 1 95 PRO QB 1 98 VAL QG 3.500 . 3.500 2.060 1.902 2.277 . 0 0 "[ . 1 . ]" 1
632 1 95 PRO QB 1 114 VAL MG1 3.500 . 3.500 3.402 3.113 3.537 0.037 12 0 "[ . 1 . ]" 1
633 1 95 PRO QD 1 115 LEU MD1 5.000 . 5.000 3.927 3.034 4.506 . 0 0 "[ . 1 . ]" 1
634 1 95 PRO QD 1 115 LEU HG 3.500 . 3.500 3.436 3.228 3.537 0.037 7 0 "[ . 1 . ]" 1
635 1 96 GLY QA 1 97 LEU H 5.000 . 5.000 2.290 2.208 2.540 . 0 0 "[ . 1 . ]" 1
636 1 96 GLY H 1 97 LEU H 5.000 . 5.000 3.312 2.909 3.456 . 0 0 "[ . 1 . ]" 1
637 1 97 LEU HA 1 97 LEU HG 3.500 . 3.500 3.609 3.596 3.632 0.132 17 0 "[ . 1 . ]" 1
638 1 97 LEU H 1 97 LEU MD2 5.000 . 5.000 3.740 3.564 4.044 . 0 0 "[ . 1 . ]" 1
639 1 97 LEU H 1 97 LEU MD1 5.000 . 5.000 4.155 4.139 4.183 . 0 0 "[ . 1 . ]" 1
640 1 97 LEU H 1 97 LEU HG 5.000 . 5.000 4.739 4.672 4.918 . 0 0 "[ . 1 . ]" 1
641 1 97 LEU HA 1 98 VAL H 5.000 . 5.000 2.125 2.106 2.144 . 0 0 "[ . 1 . ]" 1
642 1 97 LEU QB 1 98 VAL H 5.000 . 5.000 3.689 3.559 3.727 . 0 0 "[ . 1 . ]" 1
643 1 97 LEU MD2 1 98 VAL H 5.000 . 5.000 3.855 3.740 3.931 . 0 0 "[ . 1 . ]" 1
644 1 97 LEU MD1 1 98 VAL H 5.000 . 5.000 1.915 1.831 1.952 . 0 0 "[ . 1 . ]" 1
645 1 97 LEU HG 1 98 VAL H 5.000 . 5.000 4.624 4.355 4.746 . 0 0 "[ . 1 . ]" 1
646 1 97 LEU H 1 98 VAL H 5.000 . 5.000 4.405 4.280 4.514 . 0 0 "[ . 1 . ]" 1
647 1 97 LEU QB 1 110 TYR QD 5.000 . 5.000 3.567 3.195 3.823 . 0 0 "[ . 1 . ]" 1
648 1 97 LEU QB 1 110 TYR QB 5.000 . 5.000 4.718 4.426 4.870 . 0 0 "[ . 1 . ]" 1
649 1 97 LEU QB 1 110 TYR QE 5.000 . 5.000 4.120 3.681 4.539 . 0 0 "[ . 1 . ]" 1
650 1 97 LEU MD2 1 110 TYR QB 3.500 . 3.500 3.179 2.892 3.302 . 0 0 "[ . 1 . ]" 1
651 1 97 LEU MD2 1 110 TYR QD 5.000 . 5.000 3.454 3.332 3.494 . 0 0 "[ . 1 . ]" 1
652 1 97 LEU MD2 1 110 TYR QE 5.000 . 5.000 5.020 4.998 5.039 0.039 10 0 "[ . 1 . ]" 1
653 1 97 LEU MD1 1 110 TYR QB 3.500 . 3.500 1.850 1.782 1.921 0.018 15 0 "[ . 1 . ]" 1
654 1 97 LEU MD1 1 110 TYR QD 5.000 . 5.000 1.919 1.841 2.045 . 0 0 "[ . 1 . ]" 1
655 1 97 LEU MD1 1 110 TYR QE 3.500 . 3.500 3.516 3.480 3.559 0.059 6 0 "[ . 1 . ]" 1
656 1 97 LEU HG 1 110 TYR QB 3.500 . 3.500 3.416 3.183 3.523 0.023 6 0 "[ . 1 . ]" 1
657 1 97 LEU HG 1 110 TYR QD 5.000 . 5.000 2.222 1.992 2.359 . 0 0 "[ . 1 . ]" 1
658 1 97 LEU HG 1 110 TYR QE 5.000 . 5.000 3.713 3.651 3.835 . 0 0 "[ . 1 . ]" 1
659 1 97 LEU MD2 1 111 GLN H 5.000 . 5.000 4.227 3.886 4.384 . 0 0 "[ . 1 . ]" 1
660 1 97 LEU MD1 1 111 GLN H 5.000 . 5.000 2.352 2.287 2.396 . 0 0 "[ . 1 . ]" 1
661 1 97 LEU HG 1 111 GLN H 5.000 . 5.000 5.027 5.010 5.047 0.047 17 0 "[ . 1 . ]" 1
662 1 97 LEU MD2 1 112 SER HA 3.500 . 3.500 2.507 2.013 2.949 . 0 0 "[ . 1 . ]" 1
663 1 97 LEU MD2 1 112 SER QB 3.500 . 3.500 1.893 1.795 2.198 0.005 4 0 "[ . 1 . ]" 1
664 1 97 LEU MD1 1 112 SER HA 3.500 . 3.500 2.853 2.616 3.184 . 0 0 "[ . 1 . ]" 1
665 1 97 LEU MD1 1 112 SER QB 3.500 . 3.500 3.378 3.123 3.511 0.011 11 0 "[ . 1 . ]" 1
666 1 97 LEU MD1 1 112 SER H 5.000 . 5.000 3.590 3.395 3.847 . 0 0 "[ . 1 . ]" 1
667 1 97 LEU MD2 1 113 HIS H 5.000 . 5.000 3.968 3.417 4.306 . 0 0 "[ . 1 . ]" 1
668 1 97 LEU MD1 1 113 HIS H 5.000 . 5.000 4.733 4.528 4.943 . 0 0 "[ . 1 . ]" 1
669 1 98 VAL HA 1 99 GLU H 5.000 . 5.000 2.151 2.137 2.162 . 0 0 "[ . 1 . ]" 1
670 1 98 VAL HB 1 99 GLU H 5.000 . 5.000 4.219 4.129 4.288 . 0 0 "[ . 1 . ]" 1
671 1 98 VAL QG 1 99 GLU H 5.000 . 5.000 2.605 2.391 2.744 . 0 0 "[ . 1 . ]" 1
672 1 98 VAL QG 1 99 GLU QB 5.000 . 5.000 4.027 3.636 4.343 . 0 0 "[ . 1 . ]" 1
673 1 98 VAL HB 1 111 GLN H 5.000 . 5.000 4.401 4.168 4.539 . 0 0 "[ . 1 . ]" 1
674 1 98 VAL QG 1 111 GLN H 5.000 . 5.000 4.424 4.308 4.541 . 0 0 "[ . 1 . ]" 1
675 1 98 VAL H 1 111 GLN H 5.000 . 5.000 3.168 2.937 3.348 . 0 0 "[ . 1 . ]" 1
676 1 98 VAL HB 1 114 VAL MG1 3.500 . 3.500 1.793 1.769 1.828 0.031 16 0 "[ . 1 . ]" 1
677 1 98 VAL HB 1 114 VAL MG2 3.500 . 3.500 3.598 3.557 3.640 0.140 16 0 "[ . 1 . ]" 1
678 1 98 VAL QG 1 114 VAL MG1 3.500 . 3.500 1.774 1.747 1.788 0.053 16 0 "[ . 1 . ]" 1
679 1 98 VAL QG 1 114 VAL MG2 3.500 . 3.500 3.321 3.265 3.416 . 0 0 "[ . 1 . ]" 1
680 1 98 VAL QG 1 116 LEU HG 3.500 . 3.500 3.410 3.138 3.529 0.029 16 0 "[ . 1 . ]" 1
681 1 99 GLU HA 1 99 GLU QG 3.500 . 3.500 2.764 2.010 3.367 . 0 0 "[ . 1 . ]" 1
682 1 99 GLU H 1 99 GLU QG 5.000 . 5.000 2.805 1.925 3.993 . 0 0 "[ . 1 . ]" 1
683 1 99 GLU HA 1 100 VAL H 5.000 . 5.000 2.146 2.129 2.160 . 0 0 "[ . 1 . ]" 1
684 1 99 GLU QB 1 100 VAL H 5.000 . 5.000 3.640 3.465 3.923 . 0 0 "[ . 1 . ]" 1
685 1 99 GLU QG 1 100 VAL H 5.000 . 5.000 3.954 3.087 4.517 . 0 0 "[ . 1 . ]" 1
686 1 99 GLU QB 1 110 TYR QE 5.000 . 5.000 3.419 2.493 4.433 . 0 0 "[ . 1 . ]" 1
687 1 99 GLU QB 1 110 TYR QD 5.000 . 5.000 3.870 3.046 4.732 . 0 0 "[ . 1 . ]" 1
688 1 99 GLU QG 1 110 TYR QE 5.000 . 5.000 3.565 2.585 4.362 . 0 0 "[ . 1 . ]" 1
689 1 99 GLU QG 1 110 TYR QD 5.000 . 5.000 4.059 2.838 5.018 0.018 4 0 "[ . 1 . ]" 1
690 1 99 GLU H 1 110 TYR QD 5.000 . 5.000 4.994 4.938 5.038 0.038 15 0 "[ . 1 . ]" 1
691 1 99 GLU H 1 110 TYR QE 5.000 . 5.000 4.969 4.867 5.022 0.022 14 0 "[ . 1 . ]" 1
692 1 99 GLU HA 1 111 GLN H 5.000 . 5.000 3.101 2.805 3.595 . 0 0 "[ . 1 . ]" 1
693 1 100 VAL HA 1 100 VAL MG2 3.500 . 3.500 2.706 1.971 3.195 . 0 0 "[ . 1 . ]" 1
694 1 100 VAL HA 1 100 VAL MG1 3.500 . 3.500 2.689 2.217 3.204 . 0 0 "[ . 1 . ]" 1
695 1 100 VAL HA 1 101 GLN H 5.000 . 5.000 2.124 2.110 2.138 . 0 0 "[ . 1 . ]" 1
696 1 100 VAL HB 1 101 GLN H 5.000 . 5.000 3.908 3.240 4.535 . 0 0 "[ . 1 . ]" 1
697 1 100 VAL MG2 1 101 GLN H 5.000 . 5.000 3.555 2.754 4.136 . 0 0 "[ . 1 . ]" 1
698 1 100 VAL MG1 1 101 GLN H 5.000 . 5.000 3.792 2.814 4.286 . 0 0 "[ . 1 . ]" 1
699 1 100 VAL MG2 1 106 TYR QD 3.500 . 3.500 2.473 1.823 3.511 0.011 12 0 "[ . 1 . ]" 1
700 1 100 VAL MG2 1 106 TYR QE 3.500 . 3.500 3.225 2.317 3.521 0.021 16 0 "[ . 1 . ]" 1
701 1 100 VAL MG1 1 106 TYR QD 5.000 . 5.000 3.209 1.849 4.668 . 0 0 "[ . 1 . ]" 1
702 1 100 VAL MG1 1 109 ARG H 5.000 . 5.000 3.163 1.804 4.697 . 0 0 "[ . 1 . ]" 1
703 1 100 VAL H 1 109 ARG H 5.000 . 5.000 3.882 3.550 4.083 . 0 0 "[ . 1 . ]" 1
704 1 100 VAL H 1 110 TYR HA 5.000 . 5.000 2.913 2.661 3.272 . 0 0 "[ . 1 . ]" 1
705 1 100 VAL MG2 1 142 MET ME 3.500 . 3.500 3.217 2.343 3.566 0.066 12 0 "[ . 1 . ]" 1
706 1 101 GLN HA 1 101 GLN QG 3.500 . 3.500 2.820 2.304 3.341 . 0 0 "[ . 1 . ]" 1
707 1 101 GLN H 1 101 GLN QG 5.000 . 5.000 2.622 1.950 4.015 . 0 0 "[ . 1 . ]" 1
708 1 101 GLN HA 1 102 GLU H 5.000 . 5.000 2.294 2.264 2.327 . 0 0 "[ . 1 . ]" 1
709 1 101 GLN QB 1 102 GLU H 5.000 . 5.000 2.952 2.703 3.490 . 0 0 "[ . 1 . ]" 1
710 1 101 GLN QG 1 102 GLU H 5.000 . 5.000 3.529 1.936 4.504 . 0 0 "[ . 1 . ]" 1
711 1 101 GLN HA 1 108 LYS QD 3.500 . 3.500 2.329 1.882 3.503 0.003 4 0 "[ . 1 . ]" 1
712 1 101 GLN HA 1 108 LYS QG 3.500 . 3.500 2.845 1.892 3.537 0.037 7 0 "[ . 1 . ]" 1
713 1 101 GLN QG 1 142 MET ME 5.000 . 5.000 4.328 2.896 5.022 0.022 14 0 "[ . 1 . ]" 1
714 1 101 GLN H 1 142 MET ME 5.000 . 5.000 4.220 3.899 4.540 . 0 0 "[ . 1 . ]" 1
715 1 102 GLU HA 1 102 GLU QG 3.500 . 3.500 2.779 2.143 3.383 . 0 0 "[ . 1 . ]" 1
716 1 102 GLU H 1 102 GLU QG 5.000 . 5.000 3.176 1.937 3.980 . 0 0 "[ . 1 . ]" 1
717 1 102 GLU QG 1 103 SER H 5.000 . 5.000 3.825 3.198 4.468 . 0 0 "[ . 1 . ]" 1
718 1 102 GLU QB 1 108 LYS QG 5.000 . 5.000 3.649 1.895 4.850 . 0 0 "[ . 1 . ]" 1
719 1 102 GLU H 1 108 LYS QB 5.000 . 5.000 2.795 1.974 3.993 . 0 0 "[ . 1 . ]" 1
720 1 102 GLU H 1 108 LYS QD 5.000 . 5.000 2.821 1.969 4.426 . 0 0 "[ . 1 . ]" 1
721 1 102 GLU H 1 108 LYS QG 5.000 . 5.000 3.129 1.935 4.277 . 0 0 "[ . 1 . ]" 1
722 1 102 GLU H 1 142 MET ME 5.000 . 5.000 5.000 4.828 5.087 0.087 12 0 "[ . 1 . ]" 1
723 1 103 SER QB 1 104 GLU H 5.000 . 5.000 2.761 2.299 3.348 . 0 0 "[ . 1 . ]" 1
724 1 103 SER H 1 106 TYR H 5.000 . 5.000 3.105 2.876 3.545 . 0 0 "[ . 1 . ]" 1
725 1 104 GLU HA 1 104 GLU QG 3.500 . 3.500 2.259 2.046 2.685 . 0 0 "[ . 1 . ]" 1
726 1 104 GLU H 1 104 GLU QG 5.000 . 5.000 4.045 3.787 4.323 . 0 0 "[ . 1 . ]" 1
727 1 104 GLU HA 1 105 TYR H 5.000 . 5.000 3.468 2.237 3.556 . 0 0 "[ . 1 . ]" 1
728 1 104 GLU QG 1 105 TYR H 5.000 . 5.000 3.218 2.875 3.650 . 0 0 "[ . 1 . ]" 1
729 1 104 GLU H 1 105 TYR H 5.000 . 5.000 4.048 3.622 4.124 . 0 0 "[ . 1 . ]" 1
730 1 105 TYR H 1 105 TYR QD 5.000 . 5.000 2.989 2.597 3.624 . 0 0 "[ . 1 . ]" 1
731 1 105 TYR HA 1 106 TYR H 5.000 . 5.000 3.015 2.973 3.065 . 0 0 "[ . 1 . ]" 1
732 1 105 TYR QD 1 106 TYR HA 3.500 . 3.500 3.488 3.393 3.515 0.015 12 0 "[ . 1 . ]" 1
733 1 105 TYR QD 1 106 TYR QB 5.000 . 5.000 3.203 2.737 3.671 . 0 0 "[ . 1 . ]" 1
734 1 105 TYR QD 1 106 TYR H 5.000 . 5.000 3.472 3.143 3.835 . 0 0 "[ . 1 . ]" 1
735 1 105 TYR H 1 106 TYR H 5.000 . 5.000 2.011 1.922 3.037 . 0 0 "[ . 1 . ]" 1
736 1 105 TYR QE 1 142 MET ME 5.000 . 5.000 4.983 4.796 5.061 0.061 12 0 "[ . 1 . ]" 1
737 1 106 TYR HA 1 107 PRO QD 3.500 . 3.500 1.952 1.794 2.011 0.006 2 0 "[ . 1 . ]" 1
738 1 106 TYR QB 1 107 PRO QD 3.500 . 3.500 3.312 2.801 3.533 0.033 2 0 "[ . 1 . ]" 1
739 1 106 TYR QD 1 107 PRO QD 3.500 . 3.500 2.803 1.999 3.467 . 0 0 "[ . 1 . ]" 1
740 1 107 PRO QB 1 107 PRO QD 3.500 . 3.500 2.818 2.747 2.877 . 0 0 "[ . 1 . ]" 1
741 1 107 PRO QB 1 108 LYS H 5.000 . 5.000 2.965 2.952 2.997 . 0 0 "[ . 1 . ]" 1
742 1 107 PRO QG 1 108 LYS H 5.000 . 5.000 4.456 4.393 4.662 . 0 0 "[ . 1 . ]" 1
743 1 108 LYS HA 1 108 LYS QD 3.500 . 3.500 2.955 1.905 3.313 . 0 0 "[ . 1 . ]" 1
744 1 108 LYS HA 1 108 LYS QG 3.500 . 3.500 2.437 2.068 3.224 . 0 0 "[ . 1 . ]" 1
745 1 108 LYS QB 1 108 LYS QD 3.500 . 3.500 2.056 1.917 2.549 . 0 0 "[ . 1 . ]" 1
746 1 108 LYS QB 1 108 LYS QE 3.500 . 3.500 3.115 2.411 3.498 . 0 0 "[ . 1 . ]" 1
747 1 108 LYS H 1 108 LYS QD 5.000 . 5.000 4.274 3.944 4.590 . 0 0 "[ . 1 . ]" 1
748 1 108 LYS QE 1 108 LYS QG 3.500 . 3.500 2.079 1.955 2.423 . 0 0 "[ . 1 . ]" 1
749 1 108 LYS H 1 108 LYS QG 5.000 . 5.000 3.632 2.159 4.018 . 0 0 "[ . 1 . ]" 1
750 1 108 LYS HA 1 109 ARG H 5.000 . 5.000 2.318 2.231 2.445 . 0 0 "[ . 1 . ]" 1
751 1 108 LYS QB 1 109 ARG H 5.000 . 5.000 3.969 3.703 4.058 . 0 0 "[ . 1 . ]" 1
752 1 108 LYS QD 1 109 ARG H 5.000 . 5.000 4.500 3.207 5.000 . 0 0 "[ . 1 . ]" 1
753 1 108 LYS QG 1 109 ARG H 5.000 . 5.000 3.943 3.429 4.540 . 0 0 "[ . 1 . ]" 1
754 1 109 ARG HA 1 109 ARG QG 3.500 . 3.500 2.266 2.019 2.606 . 0 0 "[ . 1 . ]" 1
755 1 109 ARG QB 1 109 ARG QD 3.500 . 3.500 2.150 1.935 2.480 . 0 0 "[ . 1 . ]" 1
756 1 109 ARG H 1 109 ARG QD 5.000 . 5.000 4.398 3.556 4.804 . 0 0 "[ . 1 . ]" 1
757 1 109 ARG H 1 109 ARG QG 5.000 . 5.000 3.829 2.849 4.272 . 0 0 "[ . 1 . ]" 1
758 1 109 ARG QB 1 110 TYR H 5.000 . 5.000 2.418 1.916 2.881 . 0 0 "[ . 1 . ]" 1
759 1 110 TYR H 1 110 TYR QD 5.000 . 5.000 2.766 2.721 2.804 . 0 0 "[ . 1 . ]" 1
760 1 110 TYR H 1 110 TYR QE 5.000 . 5.000 5.047 5.026 5.079 0.079 15 0 "[ . 1 . ]" 1
761 1 110 TYR HA 1 111 GLN H 5.000 . 5.000 2.179 2.164 2.187 . 0 0 "[ . 1 . ]" 1
762 1 110 TYR QB 1 111 GLN H 5.000 . 5.000 3.186 3.163 3.230 . 0 0 "[ . 1 . ]" 1
763 1 110 TYR QD 1 111 GLN H 5.000 . 5.000 4.085 3.899 4.290 . 0 0 "[ . 1 . ]" 1
764 1 112 SER QB 1 113 HIS H 5.000 . 5.000 3.119 2.519 3.551 . 0 0 "[ . 1 . ]" 1
765 1 113 HIS HA 1 114 VAL H 5.000 . 5.000 2.588 2.508 2.628 . 0 0 "[ . 1 . ]" 1
766 1 113 HIS H 1 114 VAL H 5.000 . 5.000 2.920 2.700 3.124 . 0 0 "[ . 1 . ]" 1
767 1 114 VAL HA 1 114 VAL MG1 3.500 . 3.500 3.200 3.191 3.205 . 0 0 "[ . 1 . ]" 1
768 1 114 VAL HA 1 114 VAL MG2 3.500 . 3.500 2.345 2.311 2.380 . 0 0 "[ . 1 . ]" 1
769 1 114 VAL HA 1 115 LEU H 5.000 . 5.000 2.212 2.156 2.303 . 0 0 "[ . 1 . ]" 1
770 1 114 VAL MG1 1 115 LEU H 5.000 . 5.000 3.698 3.431 3.855 . 0 0 "[ . 1 . ]" 1
771 1 114 VAL MG2 1 115 LEU H 5.000 . 5.000 2.108 1.911 2.308 . 0 0 "[ . 1 . ]" 1
772 1 114 VAL MG1 1 116 LEU HG 3.500 . 3.500 3.518 3.500 3.544 0.044 9 0 "[ . 1 . ]" 1
773 1 114 VAL MG2 1 116 LEU HG 3.500 . 3.500 3.372 3.174 3.518 0.018 6 0 "[ . 1 . ]" 1
774 1 114 VAL MG2 1 141 THR MG 3.500 . 3.500 2.183 1.753 2.580 0.047 16 0 "[ . 1 . ]" 1
775 1 114 VAL MG1 1 142 MET H 5.000 . 5.000 5.109 5.083 5.135 0.135 2 0 "[ . 1 . ]" 1
776 1 114 VAL MG2 1 142 MET H 5.000 . 5.000 3.293 3.163 3.530 . 0 0 "[ . 1 . ]" 1
777 1 114 VAL MG1 1 149 GLY QA 5.000 . 5.000 3.938 3.685 4.168 . 0 0 "[ . 1 . ]" 1
778 1 114 VAL MG2 1 149 GLY QA 3.500 . 3.500 2.671 2.381 2.890 . 0 0 "[ . 1 . ]" 1
779 1 114 VAL MG1 1 150 PHE H 5.000 . 5.000 4.563 4.262 4.816 . 0 0 "[ . 1 . ]" 1
780 1 114 VAL MG2 1 150 PHE H 5.000 . 5.000 2.426 2.068 2.896 . 0 0 "[ . 1 . ]" 1
781 1 114 VAL HA 1 152 ASP QB 5.000 . 5.000 4.021 3.703 4.783 . 0 0 "[ . 1 . ]" 1
782 1 114 VAL HA 1 152 ASP H 5.000 . 5.000 2.846 2.678 3.004 . 0 0 "[ . 1 . ]" 1
783 1 114 VAL MG2 1 152 ASP H 5.000 . 5.000 4.261 4.089 4.475 . 0 0 "[ . 1 . ]" 1
784 1 115 LEU H 1 115 LEU HG 5.000 . 5.000 3.732 3.031 4.322 . 0 0 "[ . 1 . ]" 1
785 1 115 LEU HA 1 116 LEU H 5.000 . 5.000 2.260 2.200 2.304 . 0 0 "[ . 1 . ]" 1
786 1 115 LEU H 1 116 LEU HG 5.000 . 5.000 5.001 4.816 5.038 0.038 10 0 "[ . 1 . ]" 1
787 1 115 LEU MD1 1 138 GLY QA 5.000 . 5.000 4.215 3.498 5.005 0.005 15 0 "[ . 1 . ]" 1
788 1 115 LEU QB 1 150 PHE QB 5.000 . 5.000 2.532 2.306 2.820 . 0 0 "[ . 1 . ]" 1
789 1 115 LEU H 1 150 PHE H 5.000 . 5.000 2.769 2.574 3.045 . 0 0 "[ . 1 . ]" 1
790 1 115 LEU H 1 150 PHE QB 5.000 . 5.000 3.341 3.047 3.601 . 0 0 "[ . 1 . ]" 1
791 1 115 LEU H 1 152 ASP H 5.000 . 5.000 3.781 3.627 3.977 . 0 0 "[ . 1 . ]" 1
792 1 116 LEU HA 1 116 LEU HG 3.500 . 3.500 2.605 2.530 2.654 . 0 0 "[ . 1 . ]" 1
793 1 116 LEU H 1 116 LEU MD2 5.000 . 5.000 4.292 4.267 4.355 . 0 0 "[ . 1 . ]" 1
794 1 116 LEU H 1 116 LEU MD1 5.000 . 5.000 4.352 4.109 4.462 . 0 0 "[ . 1 . ]" 1
795 1 116 LEU H 1 116 LEU HG 5.000 . 5.000 3.889 3.680 4.008 . 0 0 "[ . 1 . ]" 1
796 1 116 LEU HA 1 117 ALA H 3.500 . 3.500 2.165 2.133 2.196 . 0 0 "[ . 1 . ]" 1
797 1 116 LEU MD2 1 117 ALA H 5.000 . 5.000 2.222 2.026 2.507 . 0 0 "[ . 1 . ]" 1
798 1 116 LEU MD1 1 117 ALA H 5.000 . 5.000 4.611 4.455 4.828 . 0 0 "[ . 1 . ]" 1
799 1 116 LEU HG 1 117 ALA H 5.000 . 5.000 4.388 4.332 4.489 . 0 0 "[ . 1 . ]" 1
800 1 116 LEU MD2 1 147 VAL MG1 3.500 . 3.500 1.895 1.792 2.335 0.008 17 0 "[ . 1 . ]" 1
801 1 116 LEU MD2 1 147 VAL HB 3.500 . 3.500 1.967 1.901 2.098 . 0 0 "[ . 1 . ]" 1
802 1 116 LEU MD2 1 147 VAL MG2 3.500 . 3.500 3.245 3.144 3.304 . 0 0 "[ . 1 . ]" 1
803 1 116 LEU MD1 1 147 VAL HB 3.500 . 3.500 3.297 3.183 3.425 . 0 0 "[ . 1 . ]" 1
804 1 116 LEU MD1 1 147 VAL MG1 3.500 . 3.500 2.829 2.677 3.221 . 0 0 "[ . 1 . ]" 1
805 1 116 LEU MD1 1 147 VAL MG2 3.500 . 3.500 3.506 3.448 3.532 0.032 10 0 "[ . 1 . ]" 1
806 1 116 LEU MD2 1 148 VAL H 5.000 . 5.000 2.577 2.533 2.637 . 0 0 "[ . 1 . ]" 1
807 1 116 LEU MD1 1 148 VAL H 5.000 . 5.000 5.019 4.960 5.043 0.043 2 0 "[ . 1 . ]" 1
808 1 116 LEU MD2 1 149 GLY QA 3.500 . 3.500 2.016 1.920 2.060 . 0 0 "[ . 1 . ]" 1
809 1 116 LEU MD1 1 149 GLY QA 3.500 . 3.500 3.557 3.527 3.615 0.115 9 0 "[ . 1 . ]" 1
810 1 116 LEU HG 1 149 GLY QA 3.500 . 3.500 2.412 2.353 2.509 . 0 0 "[ . 1 . ]" 1
811 1 116 LEU HG 1 150 PHE H 5.000 . 5.000 4.019 3.863 4.163 . 0 0 "[ . 1 . ]" 1
812 1 117 ALA HA 1 118 THR H 5.000 . 5.000 2.244 2.158 2.395 . 0 0 "[ . 1 . ]" 1
813 1 117 ALA MB 1 118 THR H 5.000 . 5.000 2.845 2.421 3.281 . 0 0 "[ . 1 . ]" 1
814 1 117 ALA H 1 147 VAL HA 5.000 . 5.000 4.027 3.947 4.113 . 0 0 "[ . 1 . ]" 1
815 1 117 ALA MB 1 148 VAL MG1 3.500 . 3.500 3.538 3.513 3.582 0.082 5 0 "[ . 1 . ]" 1
816 1 117 ALA MB 1 148 VAL MG2 5.000 . 5.000 2.096 1.859 2.947 . 0 0 "[ . 1 . ]" 1
817 1 117 ALA H 1 148 VAL H 5.000 . 5.000 2.118 1.928 2.242 . 0 0 "[ . 1 . ]" 1
818 1 118 THR MG 1 119 GLY H 5.000 . 5.000 4.209 4.079 4.284 . 0 0 "[ . 1 . ]" 1
819 1 118 THR HB 1 147 VAL MG1 3.500 . 3.500 2.552 2.153 2.832 . 0 0 "[ . 1 . ]" 1
820 1 118 THR HB 1 147 VAL MG2 3.500 . 3.500 2.724 2.488 3.514 0.014 10 0 "[ . 1 . ]" 1
821 1 119 GLY QA 1 120 PHE H 5.000 . 5.000 2.269 2.104 2.925 . 0 0 "[ . 1 . ]" 1
822 1 119 GLY H 1 147 VAL HA 5.000 . 5.000 3.211 2.814 3.514 . 0 0 "[ . 1 . ]" 1
823 1 120 PHE HA 1 120 PHE QD 3.500 . 3.500 2.714 2.188 3.016 . 0 0 "[ . 1 . ]" 1
824 1 120 PHE HA 1 120 PHE QE 5.000 . 5.000 4.406 4.222 4.636 . 0 0 "[ . 1 . ]" 1
825 1 120 PHE QD 1 121 SER H 5.000 . 5.000 4.112 2.429 5.005 0.005 1 0 "[ . 1 . ]" 1
826 1 121 SER HA 1 122 GLU H 5.000 . 5.000 2.580 2.159 3.571 . 0 0 "[ . 1 . ]" 1
827 1 129 ILE HB 1 129 ILE MD 3.500 . 3.500 2.359 2.091 2.477 . 0 0 "[ . 1 . ]" 1
828 1 129 ILE MD 1 129 ILE MG 3.500 . 3.500 2.243 1.795 3.128 0.005 11 0 "[ . 1 . ]" 1
829 1 129 ILE MD 1 136 VAL MG1 3.500 . 3.500 2.303 1.962 2.639 . 0 0 "[ . 1 . ]" 1
830 1 129 ILE MD 1 136 VAL MG2 3.500 . 3.500 3.038 2.542 3.338 . 0 0 "[ . 1 . ]" 1
831 1 129 ILE QG 1 136 VAL MG1 3.500 . 3.500 3.507 3.494 3.522 0.022 12 0 "[ . 1 . ]" 1
832 1 130 LEU HA 1 130 LEU MD1 3.500 . 3.500 2.052 1.955 2.204 . 0 0 "[ . 1 . ]" 1
833 1 130 LEU HA 1 131 ARG H 5.000 . 5.000 2.147 2.129 2.155 . 0 0 "[ . 1 . ]" 1
834 1 130 LEU QB 1 131 ARG H 5.000 . 5.000 3.844 3.781 3.879 . 0 0 "[ . 1 . ]" 1
835 1 130 LEU MD1 1 131 ARG H 5.000 . 5.000 2.253 2.035 2.750 . 0 0 "[ . 1 . ]" 1
836 1 130 LEU HG 1 131 ARG H 5.000 . 5.000 3.676 3.509 3.928 . 0 0 "[ . 1 . ]" 1
837 1 130 LEU QB 1 137 ILE MG 3.500 . 3.500 3.357 2.411 3.517 0.017 11 0 "[ . 1 . ]" 1
838 1 130 LEU QB 1 137 ILE QG 5.000 . 5.000 4.205 3.809 5.020 0.020 12 0 "[ . 1 . ]" 1
839 1 130 LEU MD1 1 137 ILE MD 3.500 . 3.500 3.483 3.156 3.542 0.042 17 0 "[ . 1 . ]" 1
840 1 130 LEU MD1 1 137 ILE QG 5.000 . 5.000 3.350 2.563 4.998 . 0 0 "[ . 1 . ]" 1
841 1 130 LEU MD2 1 137 ILE MD 3.500 . 3.500 3.157 2.786 3.528 0.028 13 0 "[ . 1 . ]" 1
842 1 130 LEU MD2 1 137 ILE MG 3.500 . 3.500 2.315 1.899 2.700 . 0 0 "[ . 1 . ]" 1
843 1 130 LEU MD2 1 137 ILE QG 5.000 . 5.000 3.270 2.534 4.270 . 0 0 "[ . 1 . ]" 1
844 1 130 LEU HG 1 137 ILE MD 3.500 . 3.500 3.084 2.498 3.364 . 0 0 "[ . 1 . ]" 1
845 1 130 LEU QB 1 138 GLY H 5.000 . 5.000 2.548 2.258 3.136 . 0 0 "[ . 1 . ]" 1
846 1 130 LEU MD2 1 138 GLY QA 5.000 . 5.000 4.204 3.726 4.836 . 0 0 "[ . 1 . ]" 1
847 1 130 LEU HG 1 138 GLY H 5.000 . 5.000 3.418 3.137 4.187 . 0 0 "[ . 1 . ]" 1
848 1 130 LEU QB 1 150 PHE QB 5.000 . 5.000 2.739 2.414 2.966 . 0 0 "[ . 1 . ]" 1
849 1 130 LEU MD1 1 150 PHE QD 3.500 . 3.500 3.360 2.835 3.522 0.022 5 0 "[ . 1 . ]" 1
850 1 130 LEU MD1 1 150 PHE QE 3.500 . 3.500 3.104 2.589 3.442 . 0 0 "[ . 1 . ]" 1
851 1 130 LEU MD2 1 150 PHE QD 3.500 . 3.500 1.980 1.815 2.317 . 0 0 "[ . 1 . ]" 1
852 1 130 LEU MD2 1 150 PHE QE 3.500 . 3.500 3.178 2.921 3.503 0.003 5 0 "[ . 1 . ]" 1
853 1 131 ARG QB 1 131 ARG QD 3.500 . 3.500 2.089 1.924 2.397 . 0 0 "[ . 1 . ]" 1
854 1 131 ARG HA 1 132 CYS H 5.000 . 5.000 2.226 2.156 2.275 . 0 0 "[ . 1 . ]" 1
855 1 131 ARG QB 1 135 GLY H 5.000 . 5.000 4.681 4.377 4.999 . 0 0 "[ . 1 . ]" 1
856 1 132 CYS QB 1 133 GLU H 5.000 . 5.000 3.020 2.125 3.237 . 0 0 "[ . 1 . ]" 1
857 1 132 CYS QB 1 137 ILE MD 3.500 . 3.500 1.834 1.746 1.930 0.054 1 0 "[ . 1 . ]" 1
858 1 133 GLU H 1 133 GLU QG 5.000 . 5.000 2.732 1.998 3.986 . 0 0 "[ . 1 . ]" 1
859 1 133 GLU HA 1 134 HIS H 5.000 . 5.000 3.426 3.404 3.438 . 0 0 "[ . 1 . ]" 1
860 1 133 GLU QB 1 134 HIS H 5.000 . 5.000 3.204 3.006 3.695 . 0 0 "[ . 1 . ]" 1
861 1 133 GLU QG 1 134 HIS H 5.000 . 5.000 3.943 2.377 4.659 . 0 0 "[ . 1 . ]" 1
862 1 133 GLU H 1 134 HIS QB 5.000 . 5.000 4.860 4.785 5.006 0.006 14 0 "[ . 1 . ]" 1
863 1 133 GLU H 1 134 HIS H 5.000 . 5.000 2.705 2.646 2.737 . 0 0 "[ . 1 . ]" 1
864 1 133 GLU H 1 135 GLY H 5.000 . 5.000 4.285 4.195 4.363 . 0 0 "[ . 1 . ]" 1
865 1 134 HIS HA 1 135 GLY H 5.000 . 5.000 3.526 3.469 3.554 . 0 0 "[ . 1 . ]" 1
866 1 134 HIS QB 1 135 GLY H 5.000 . 5.000 2.759 2.672 3.035 . 0 0 "[ . 1 . ]" 1
867 1 134 HIS H 1 135 GLY H 5.000 . 5.000 2.297 2.225 2.337 . 0 0 "[ . 1 . ]" 1
868 1 135 GLY QA 1 136 VAL H 5.000 . 5.000 2.114 2.082 2.178 . 0 0 "[ . 1 . ]" 1
869 1 136 VAL HA 1 136 VAL MG1 3.500 . 3.500 2.154 2.102 2.292 . 0 0 "[ . 1 . ]" 1
870 1 136 VAL HA 1 136 VAL MG2 3.500 . 3.500 2.563 2.509 2.590 . 0 0 "[ . 1 . ]" 1
871 1 136 VAL HA 1 137 ILE H 5.000 . 5.000 2.193 2.185 2.207 . 0 0 "[ . 1 . ]" 1
872 1 136 VAL HB 1 137 ILE H 5.000 . 5.000 3.892 3.834 3.966 . 0 0 "[ . 1 . ]" 1
873 1 136 VAL MG1 1 137 ILE H 5.000 . 5.000 2.360 2.146 2.469 . 0 0 "[ . 1 . ]" 1
874 1 136 VAL MG2 1 137 ILE H 5.000 . 5.000 4.184 4.103 4.225 . 0 0 "[ . 1 . ]" 1
875 1 137 ILE HA 1 137 ILE MG 3.500 . 3.500 2.372 2.241 2.841 . 0 0 "[ . 1 . ]" 1
876 1 137 ILE HB 1 137 ILE MD 3.500 . 3.500 2.799 2.052 3.163 . 0 0 "[ . 1 . ]" 1
877 1 137 ILE MD 1 137 ILE MG 3.500 . 3.500 2.179 1.778 3.236 0.022 5 0 "[ . 1 . ]" 1
878 1 137 ILE H 1 137 ILE MD 5.000 . 5.000 3.565 1.872 4.257 . 0 0 "[ . 1 . ]" 1
879 1 137 ILE H 1 137 ILE QG 5.000 . 5.000 2.826 2.364 3.615 . 0 0 "[ . 1 . ]" 1
880 1 137 ILE HB 1 138 GLY QA 5.000 . 5.000 3.912 3.729 4.559 . 0 0 "[ . 1 . ]" 1
881 1 137 ILE HB 1 138 GLY H 5.000 . 5.000 2.189 1.972 2.934 . 0 0 "[ . 1 . ]" 1
882 1 137 ILE QG 1 138 GLY H 5.000 . 5.000 3.916 3.637 4.465 . 0 0 "[ . 1 . ]" 1
883 1 137 ILE MG 1 138 GLY H 5.000 . 5.000 2.961 2.344 3.347 . 0 0 "[ . 1 . ]" 1
884 1 137 ILE H 1 138 GLY QA 5.000 . 5.000 4.313 4.169 4.428 . 0 0 "[ . 1 . ]" 1
885 1 137 ILE H 1 138 GLY H 5.000 . 5.000 2.496 2.168 2.692 . 0 0 "[ . 1 . ]" 1
886 1 137 ILE HA 1 154 ARG QG 5.000 . 5.000 4.045 3.139 4.591 . 0 0 "[ . 1 . ]" 1
887 1 137 ILE MD 1 154 ARG QG 5.000 . 5.000 4.811 4.454 5.102 0.102 1 0 "[ . 1 . ]" 1
888 1 137 ILE MG 1 154 ARG QD 5.000 . 5.000 4.002 3.422 4.360 . 0 0 "[ . 1 . ]" 1
889 1 137 ILE MG 1 154 ARG QG 3.500 . 3.500 3.415 2.788 3.553 0.053 11 0 "[ . 1 . ]" 1
890 1 138 GLY QA 1 139 LEU H 5.000 . 5.000 2.235 2.156 2.264 . 0 0 "[ . 1 . ]" 1
891 1 138 GLY QA 1 151 ALA MB 5.000 . 5.000 4.011 3.844 4.265 . 0 0 "[ . 1 . ]" 1
892 1 138 GLY H 1 153 VAL MG2 5.000 . 5.000 3.934 3.752 4.108 . 0 0 "[ . 1 . ]" 1
893 1 139 LEU HA 1 139 LEU MD2 3.500 . 3.500 3.403 3.251 3.505 0.005 7 0 "[ . 1 . ]" 1
894 1 139 LEU H 1 139 LEU MD1 5.000 . 5.000 3.616 1.800 3.997 0.000 14 0 "[ . 1 . ]" 1
895 1 139 LEU H 1 139 LEU MD2 5.000 . 5.000 2.177 1.880 3.605 . 0 0 "[ . 1 . ]" 1
896 1 139 LEU H 1 139 LEU HG 5.000 . 5.000 2.495 2.220 3.978 . 0 0 "[ . 1 . ]" 1
897 1 139 LEU HA 1 140 VAL H 5.000 . 5.000 2.402 2.212 2.430 . 0 0 "[ . 1 . ]" 1
898 1 139 LEU MD1 1 151 ALA MB 3.500 . 3.500 2.968 1.767 3.373 0.033 14 0 "[ . 1 . ]" 1
899 1 139 LEU MD2 1 151 ALA MB 3.500 . 3.500 2.701 1.788 3.241 0.012 3 0 "[ . 1 . ]" 1
900 1 139 LEU H 1 151 ALA MB 5.000 . 5.000 3.059 2.819 3.221 . 0 0 "[ . 1 . ]" 1
901 1 139 LEU H 1 151 ALA H 5.000 . 5.000 3.050 2.660 3.525 . 0 0 "[ . 1 . ]" 1
902 1 139 LEU H 1 153 VAL MG2 5.000 . 5.000 3.389 3.159 3.830 . 0 0 "[ . 1 . ]" 1
903 1 141 THR HA 1 141 THR MG 3.500 . 3.500 2.653 2.537 3.174 . 0 0 "[ . 1 . ]" 1
904 1 141 THR MG 1 142 MET H 5.000 . 5.000 1.933 1.840 2.014 . 0 0 "[ . 1 . ]" 1
905 1 141 THR H 1 142 MET H 5.000 . 5.000 3.057 2.933 3.217 . 0 0 "[ . 1 . ]" 1
906 1 141 THR MG 1 149 GLY QA 3.500 . 3.500 3.366 2.563 3.528 0.028 13 0 "[ . 1 . ]" 1
907 1 141 THR MG 1 150 PHE H 5.000 . 5.000 4.538 3.138 4.973 . 0 0 "[ . 1 . ]" 1
908 1 141 THR H 1 150 PHE HA 5.000 . 5.000 2.198 1.950 2.962 . 0 0 "[ . 1 . ]" 1
909 1 141 THR HB 1 151 ALA MB 3.500 . 3.500 3.448 2.431 3.583 0.083 2 0 "[ . 1 . ]" 1
910 1 141 THR HB 1 151 ALA H 5.000 . 5.000 3.315 3.051 4.146 . 0 0 "[ . 1 . ]" 1
911 1 141 THR MG 1 151 ALA MB 3.500 . 3.500 3.095 2.152 3.408 . 0 0 "[ . 1 . ]" 1
912 1 141 THR MG 1 151 ALA H 5.000 . 5.000 4.101 2.290 4.481 . 0 0 "[ . 1 . ]" 1
913 1 142 MET QB 1 142 MET ME 3.500 . 3.500 3.152 1.950 3.625 0.125 2 0 "[ . 1 . ]" 1
914 1 142 MET HA 1 143 GLY H 5.000 . 5.000 2.266 2.138 2.398 . 0 0 "[ . 1 . ]" 1
915 1 142 MET QB 1 143 GLY H 5.000 . 5.000 3.083 2.412 3.616 . 0 0 "[ . 1 . ]" 1
916 1 142 MET ME 1 143 GLY QA 5.000 . 5.000 4.681 3.977 5.027 0.027 4 0 "[ . 1 . ]" 1
917 1 142 MET H 1 149 GLY QA 5.000 . 5.000 2.606 2.162 2.842 . 0 0 "[ . 1 . ]" 1
918 1 142 MET H 1 149 GLY H 5.000 . 5.000 3.931 3.687 4.339 . 0 0 "[ . 1 . ]" 1
919 1 143 GLY QA 1 144 GLY H 5.000 . 5.000 2.188 2.116 2.285 . 0 0 "[ . 1 . ]" 1
920 1 144 GLY QA 1 145 GLU QG 3.500 . 3.500 3.440 3.267 3.536 0.036 4 0 "[ . 1 . ]" 1
921 1 144 GLY H 1 147 VAL HB 5.000 . 5.000 3.332 2.627 3.939 . 0 0 "[ . 1 . ]" 1
922 1 144 GLY H 1 147 VAL MG1 5.000 . 5.000 4.658 4.158 5.025 0.025 17 0 "[ . 1 . ]" 1
923 1 144 GLY H 1 147 VAL MG2 5.000 . 5.000 3.910 3.146 4.654 . 0 0 "[ . 1 . ]" 1
924 1 144 GLY H 1 147 VAL H 5.000 . 5.000 3.134 2.462 3.655 . 0 0 "[ . 1 . ]" 1
925 1 145 GLU HA 1 145 GLU QG 3.500 . 3.500 2.840 2.519 3.350 . 0 0 "[ . 1 . ]" 1
926 1 145 GLU HA 1 146 GLY H 5.000 . 5.000 3.374 3.089 3.434 . 0 0 "[ . 1 . ]" 1
927 1 145 GLU QB 1 146 GLY H 5.000 . 5.000 3.315 3.036 3.938 . 0 0 "[ . 1 . ]" 1
928 1 145 GLU QG 1 146 GLY H 5.000 . 5.000 3.671 2.411 4.340 . 0 0 "[ . 1 . ]" 1
929 1 146 GLY QA 1 147 VAL H 5.000 . 5.000 2.879 2.763 2.943 . 0 0 "[ . 1 . ]" 1
930 1 146 GLY H 1 147 VAL H 5.000 . 5.000 1.837 1.755 1.959 0.045 4 0 "[ . 1 . ]" 1
931 1 147 VAL HA 1 147 VAL MG1 3.500 . 3.500 2.187 1.984 2.242 . 0 0 "[ . 1 . ]" 1
932 1 147 VAL HA 1 147 VAL MG2 3.500 . 3.500 2.723 2.657 2.958 . 0 0 "[ . 1 . ]" 1
933 1 147 VAL HA 1 148 VAL H 5.000 . 5.000 2.344 2.329 2.354 . 0 0 "[ . 1 . ]" 1
934 1 147 VAL HB 1 148 VAL H 5.000 . 5.000 3.265 2.909 3.365 . 0 0 "[ . 1 . ]" 1
935 1 147 VAL MG1 1 148 VAL H 5.000 . 5.000 1.994 1.885 2.533 . 0 0 "[ . 1 . ]" 1
936 1 147 VAL MG2 1 148 VAL H 5.000 . 5.000 4.100 4.075 4.147 . 0 0 "[ . 1 . ]" 1
937 1 148 VAL HA 1 148 VAL MG2 3.500 . 3.500 3.042 2.550 3.208 . 0 0 "[ . 1 . ]" 1
938 1 148 VAL HA 1 148 VAL MG1 3.500 . 3.500 2.345 2.201 2.499 . 0 0 "[ . 1 . ]" 1
939 1 148 VAL HA 1 149 GLY H 3.500 . 3.500 2.164 2.148 2.186 . 0 0 "[ . 1 . ]" 1
940 1 148 VAL HB 1 149 GLY H 5.000 . 5.000 3.672 3.474 4.218 . 0 0 "[ . 1 . ]" 1
941 1 148 VAL MG1 1 149 GLY H 5.000 . 5.000 3.806 2.921 4.216 . 0 0 "[ . 1 . ]" 1
942 1 148 VAL MG2 1 149 GLY H 5.000 . 5.000 4.088 3.923 4.396 . 0 0 "[ . 1 . ]" 1
943 1 148 VAL MG1 1 150 PHE QD 5.000 . 5.000 4.418 2.859 5.040 0.040 15 0 "[ . 1 . ]" 1
944 1 148 VAL MG1 1 150 PHE QE 5.000 . 5.000 3.100 1.931 3.627 . 0 0 "[ . 1 . ]" 1
945 1 148 VAL MG2 1 150 PHE QD 5.000 . 5.000 3.540 2.193 4.887 . 0 0 "[ . 1 . ]" 1
946 1 148 VAL MG2 1 150 PHE QE 5.000 . 5.000 2.631 1.870 3.557 . 0 0 "[ . 1 . ]" 1
947 1 149 GLY QA 1 150 PHE H 5.000 . 5.000 2.127 2.114 2.138 . 0 0 "[ . 1 . ]" 1
948 1 150 PHE H 1 150 PHE QD 5.000 . 5.000 3.531 3.305 3.727 . 0 0 "[ . 1 . ]" 1
949 1 150 PHE HA 1 151 ALA H 5.000 . 5.000 2.202 2.167 2.228 . 0 0 "[ . 1 . ]" 1
950 1 151 ALA HA 1 152 ASP H 5.000 . 5.000 2.153 2.137 2.175 . 0 0 "[ . 1 . ]" 1
951 1 151 ALA MB 1 152 ASP H 5.000 . 5.000 3.355 3.260 3.454 . 0 0 "[ . 1 . ]" 1
952 1 152 ASP HA 1 153 VAL H 5.000 . 5.000 2.196 2.150 2.266 . 0 0 "[ . 1 . ]" 1
953 1 152 ASP QB 1 153 VAL H 3.500 . 3.500 3.190 2.627 3.511 0.011 2 0 "[ . 1 . ]" 1
954 1 152 ASP H 1 153 VAL H 5.000 . 5.000 4.605 4.576 4.625 . 0 0 "[ . 1 . ]" 1
955 1 152 ASP QB 1 154 ARG H 5.000 . 5.000 2.469 2.119 3.010 . 0 0 "[ . 1 . ]" 1
956 1 153 VAL HA 1 153 VAL MG2 3.500 . 3.500 2.410 2.351 2.481 . 0 0 "[ . 1 . ]" 1
957 1 153 VAL HA 1 153 VAL MG1 3.500 . 3.500 2.331 2.286 2.395 . 0 0 "[ . 1 . ]" 1
958 1 153 VAL HA 1 154 ARG H 5.000 . 5.000 3.180 3.130 3.243 . 0 0 "[ . 1 . ]" 1
959 1 153 VAL HB 1 154 ARG H 5.000 . 5.000 3.739 3.605 3.821 . 0 0 "[ . 1 . ]" 1
960 1 153 VAL MG2 1 154 ARG H 5.000 . 5.000 4.169 4.060 4.232 . 0 0 "[ . 1 . ]" 1
961 1 153 VAL MG1 1 154 ARG H 5.000 . 5.000 4.129 4.080 4.187 . 0 0 "[ . 1 . ]" 1
962 1 153 VAL H 1 154 ARG H 5.000 . 5.000 2.467 2.249 2.567 . 0 0 "[ . 1 . ]" 1
963 1 153 VAL HA 1 155 ASP H 5.000 . 5.000 3.157 3.129 3.202 . 0 0 "[ . 1 . ]" 1
964 1 153 VAL MG2 1 155 ASP H 5.000 . 5.000 4.995 4.960 5.023 0.023 1 0 "[ . 1 . ]" 1
965 1 153 VAL HA 1 156 LEU H 5.000 . 5.000 4.053 3.723 4.163 . 0 0 "[ . 1 . ]" 1
966 1 153 VAL MG1 1 156 LEU MD2 3.500 . 3.500 2.133 2.035 2.212 . 0 0 "[ . 1 . ]" 1
967 1 153 VAL HB 1 157 LEU MD2 3.500 . 3.500 2.992 2.297 3.518 0.018 13 0 "[ . 1 . ]" 1
968 1 153 VAL HB 1 157 LEU MD1 5.000 . 5.000 3.947 3.456 4.307 . 0 0 "[ . 1 . ]" 1
969 1 153 VAL MG2 1 157 LEU MD1 5.000 . 5.000 4.706 4.339 5.021 0.021 13 0 "[ . 1 . ]" 1
970 1 153 VAL MG1 1 157 LEU MD2 3.500 . 3.500 2.396 1.929 2.978 . 0 0 "[ . 1 . ]" 1
971 1 153 VAL MG1 1 157 LEU MD1 3.500 . 3.500 2.766 2.500 3.125 . 0 0 "[ . 1 . ]" 1
972 1 154 ARG H 1 154 ARG QG 5.000 . 5.000 2.228 1.961 2.600 . 0 0 "[ . 1 . ]" 1
973 1 154 ARG HA 1 155 ASP H 5.000 . 5.000 3.344 3.337 3.351 . 0 0 "[ . 1 . ]" 1
974 1 154 ARG QB 1 155 ASP H 5.000 . 5.000 3.306 3.284 3.343 . 0 0 "[ . 1 . ]" 1
975 1 154 ARG QG 1 155 ASP H 5.000 . 5.000 4.249 4.039 4.429 . 0 0 "[ . 1 . ]" 1
976 1 154 ARG H 1 155 ASP H 5.000 . 5.000 2.637 2.612 2.664 . 0 0 "[ . 1 . ]" 1
977 1 154 ARG HA 1 157 LEU MD2 3.500 . 3.500 1.849 1.788 1.921 0.012 11 0 "[ . 1 . ]" 1
978 1 154 ARG HA 1 157 LEU H 5.000 . 5.000 4.019 3.536 4.510 . 0 0 "[ . 1 . ]" 1
979 1 154 ARG QD 1 157 LEU MD2 3.500 . 3.500 2.874 2.116 3.514 0.014 8 0 "[ . 1 . ]" 1
980 1 155 ASP HA 1 156 LEU H 5.000 . 5.000 3.185 3.155 3.280 . 0 0 "[ . 1 . ]" 1
981 1 155 ASP H 1 156 LEU MD2 5.000 . 5.000 5.041 4.992 5.074 0.074 13 0 "[ . 1 . ]" 1
982 1 155 ASP H 1 156 LEU MD1 5.000 . 5.000 2.466 2.410 2.581 . 0 0 "[ . 1 . ]" 1
983 1 155 ASP H 1 156 LEU H 5.000 . 5.000 2.490 2.305 2.574 . 0 0 "[ . 1 . ]" 1
984 1 156 LEU H 1 156 LEU MD2 5.000 . 5.000 3.882 3.715 3.973 . 0 0 "[ . 1 . ]" 1
985 1 156 LEU H 1 156 LEU MD1 5.000 . 5.000 1.955 1.822 2.012 . 0 0 "[ . 1 . ]" 1
986 1 156 LEU H 1 156 LEU HG 5.000 . 5.000 4.234 4.036 4.340 . 0 0 "[ . 1 . ]" 1
987 1 156 LEU HA 1 157 LEU H 5.000 . 5.000 2.617 2.441 2.830 . 0 0 "[ . 1 . ]" 1
988 1 156 LEU MD2 1 157 LEU H 5.000 . 5.000 4.396 4.014 4.538 . 0 0 "[ . 1 . ]" 1
989 1 156 LEU MD1 1 157 LEU MD2 3.500 . 3.500 3.487 3.383 3.517 0.017 5 0 "[ . 1 . ]" 1
990 1 156 LEU MD1 1 157 LEU MD1 5.000 . 5.000 4.464 4.380 4.587 . 0 0 "[ . 1 . ]" 1
991 1 156 LEU H 1 157 LEU MD2 5.000 . 5.000 3.303 3.136 3.552 . 0 0 "[ . 1 . ]" 1
992 1 156 LEU H 1 157 LEU MD1 5.000 . 5.000 5.048 5.021 5.127 0.127 11 0 "[ . 1 . ]" 1
993 1 156 LEU H 1 157 LEU H 5.000 . 5.000 2.370 1.923 2.852 . 0 0 "[ . 1 . ]" 1
994 1 156 LEU HA 1 158 TRP HE1 5.000 . 5.000 2.543 2.025 3.063 . 0 0 "[ . 1 . ]" 1
995 1 156 LEU MD2 1 158 TRP HD1 5.000 . 5.000 4.391 4.113 4.762 . 0 0 "[ . 1 . ]" 1
996 1 156 LEU MD2 1 158 TRP HE1 5.000 . 5.000 3.641 3.258 4.250 . 0 0 "[ . 1 . ]" 1
997 1 156 LEU MD1 1 158 TRP HE1 5.000 . 5.000 4.582 4.453 4.752 . 0 0 "[ . 1 . ]" 1
998 1 156 LEU HG 1 158 TRP HE1 5.000 . 5.000 4.422 4.230 4.919 . 0 0 "[ . 1 . ]" 1
999 1 156 LEU MD2 1 159 LEU MD2 3.500 . 3.500 3.059 2.923 3.175 . 0 0 "[ . 1 . ]" 1
1000 1 156 LEU MD1 1 159 LEU MD2 5.000 . 5.000 4.726 4.609 4.864 . 0 0 "[ . 1 . ]" 1
1001 1 157 LEU HA 1 157 LEU MD2 3.500 . 3.500 2.503 2.282 2.605 . 0 0 "[ . 1 . ]" 1
1002 1 157 LEU HA 1 157 LEU MD1 3.500 . 3.500 1.992 1.919 2.065 . 0 0 "[ . 1 . ]" 1
1003 1 157 LEU HA 1 157 LEU HG 3.500 . 3.500 3.564 3.558 3.570 0.070 11 0 "[ . 1 . ]" 1
1004 1 157 LEU H 1 157 LEU MD2 5.000 . 5.000 3.031 2.873 3.234 . 0 0 "[ . 1 . ]" 1
1005 1 157 LEU H 1 157 LEU MD1 5.000 . 5.000 4.059 4.032 4.084 . 0 0 "[ . 1 . ]" 1
1006 1 157 LEU H 1 157 LEU HG 5.000 . 5.000 4.493 4.427 4.538 . 0 0 "[ . 1 . ]" 1
1007 1 157 LEU HA 1 158 TRP H 3.500 . 3.500 3.409 3.395 3.470 . 0 0 "[ . 1 . ]" 1
1008 1 157 LEU QB 1 158 TRP H 5.000 . 5.000 3.170 2.990 3.214 . 0 0 "[ . 1 . ]" 1
1009 1 157 LEU MD2 1 158 TRP H 5.000 . 5.000 4.787 4.736 4.875 . 0 0 "[ . 1 . ]" 1
1010 1 157 LEU MD1 1 158 TRP H 5.000 . 5.000 4.283 4.230 4.336 . 0 0 "[ . 1 . ]" 1
1011 1 157 LEU H 1 158 TRP H 5.000 . 5.000 2.631 2.492 2.793 . 0 0 "[ . 1 . ]" 1
1012 1 158 TRP QB 1 158 TRP HD1 3.500 . 3.500 2.765 2.726 2.782 . 0 0 "[ . 1 . ]" 1
1013 1 158 TRP H 1 158 TRP HD1 5.000 . 5.000 1.894 1.859 1.961 . 0 0 "[ . 1 . ]" 1
1014 1 158 TRP HA 1 159 LEU H 5.000 . 5.000 2.298 2.238 2.350 . 0 0 "[ . 1 . ]" 1
1015 1 158 TRP H 1 159 LEU H 5.000 . 5.000 4.029 3.955 4.125 . 0 0 "[ . 1 . ]" 1
1016 1 159 LEU HA 1 159 LEU HG 3.500 . 3.500 2.499 2.384 2.549 . 0 0 "[ . 1 . ]" 1
1017 1 159 LEU H 1 159 LEU MD2 5.000 . 5.000 4.661 4.601 4.739 . 0 0 "[ . 1 . ]" 1
1018 1 159 LEU H 1 159 LEU MD1 5.000 . 5.000 2.910 2.809 3.098 . 0 0 "[ . 1 . ]" 1
1019 1 159 LEU H 1 159 LEU HG 5.000 . 5.000 3.875 3.785 3.969 . 0 0 "[ . 1 . ]" 1
1020 1 159 LEU HA 1 160 GLU H 5.000 . 5.000 3.544 3.534 3.553 . 0 0 "[ . 1 . ]" 1
1021 1 159 LEU QB 1 160 GLU H 5.000 . 5.000 2.418 2.283 2.477 . 0 0 "[ . 1 . ]" 1
1022 1 159 LEU HG 1 160 GLU H 5.000 . 5.000 4.750 4.700 4.805 . 0 0 "[ . 1 . ]" 1
1023 1 159 LEU H 1 160 GLU H 5.000 . 5.000 1.961 1.891 2.069 . 0 0 "[ . 1 . ]" 1
1024 1 160 GLU HA 1 160 GLU QG 3.500 . 3.500 2.542 2.021 3.372 . 0 0 "[ . 1 . ]" 1
1025 1 160 GLU H 1 160 GLU QG 5.000 . 5.000 3.660 2.642 4.408 . 0 0 "[ . 1 . ]" 1
1026 1 160 GLU HA 1 161 ASP H 5.000 . 5.000 2.763 2.677 2.866 . 0 0 "[ . 1 . ]" 1
1027 1 160 GLU QB 1 161 ASP H 5.000 . 5.000 1.969 1.858 2.142 . 0 0 "[ . 1 . ]" 1
1028 1 160 GLU QG 1 161 ASP H 5.000 . 5.000 2.902 1.944 3.721 . 0 0 "[ . 1 . ]" 1
1029 1 160 GLU H 1 161 ASP H 5.000 . 5.000 4.309 4.245 4.350 . 0 0 "[ . 1 . ]" 1
1030 1 161 ASP H 1 162 ASP H 5.000 . 5.000 4.599 4.505 4.626 . 0 0 "[ . 1 . ]" 1
1031 1 162 ASP HA 1 163 ALA H 5.000 . 5.000 2.323 2.313 2.342 . 0 0 "[ . 1 . ]" 1
1032 1 162 ASP QB 1 163 ALA H 5.000 . 5.000 2.652 2.617 2.715 . 0 0 "[ . 1 . ]" 1
1033 1 162 ASP H 1 163 ALA H 5.000 . 5.000 4.578 4.546 4.611 . 0 0 "[ . 1 . ]" 1
1034 1 163 ALA HA 1 164 MET H 5.000 . 5.000 2.198 2.139 2.302 . 0 0 "[ . 1 . ]" 1
1035 1 163 ALA MB 1 164 MET H 5.000 . 5.000 2.969 2.668 3.249 . 0 0 "[ . 1 . ]" 1
1036 1 164 MET H 1 164 MET QG 5.000 . 5.000 3.250 1.973 4.242 . 0 0 "[ . 1 . ]" 1
1037 1 164 MET HA 1 165 GLU H 5.000 . 5.000 2.730 2.139 3.571 . 0 0 "[ . 1 . ]" 1
1038 1 165 GLU H 1 165 GLU QG 5.000 . 5.000 3.444 1.990 4.269 . 0 0 "[ . 1 . ]" 1
1039 1 165 GLU HA 1 166 GLN H 5.000 . 5.000 2.777 2.149 3.571 . 0 0 "[ . 1 . ]" 1
1040 1 166 GLN HA 1 166 GLN QG 3.500 . 3.500 2.450 2.042 3.317 . 0 0 "[ . 1 . ]" 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 112
_Distance_constraint_stats_list.Viol_count 676
_Distance_constraint_stats_list.Viol_total 226.852
_Distance_constraint_stats_list.Viol_max 0.107
_Distance_constraint_stats_list.Viol_rms 0.0139
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0197
_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 26 VAL 0.223 0.045 17 0 "[ . 1 . ]"
1 28 VAL 0.012 0.012 2 0 "[ . 1 . ]"
1 30 ASN 0.067 0.012 3 0 "[ . 1 . ]"
1 31 TYR 0.012 0.012 2 0 "[ . 1 . ]"
1 32 LYS 0.033 0.015 2 0 "[ . 1 . ]"
1 33 VAL 0.223 0.045 17 0 "[ . 1 . ]"
1 34 VAL 0.347 0.026 10 0 "[ . 1 . ]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 36 ARG 0.263 0.024 8 0 "[ . 1 . ]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 39 ALA 0.150 0.024 8 0 "[ . 1 . ]"
1 40 THR 0.276 0.036 8 0 "[ . 1 . ]"
1 41 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 42 VAL 0.299 0.026 10 0 "[ . 1 . ]"
1 44 TRP 0.276 0.036 8 0 "[ . 1 . ]"
1 45 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 46 ASN 0.299 0.026 10 0 "[ . 1 . ]"
1 48 VAL 0.641 0.050 12 0 "[ . 1 . ]"
1 49 TRP 1.734 0.089 3 0 "[ . 1 . ]"
1 51 ASP 0.642 0.044 10 0 "[ . 1 . ]"
1 53 ASN 0.121 0.024 7 0 "[ . 1 . ]"
1 54 ARG 0.355 0.044 10 0 "[ . 1 . ]"
1 55 ASP 0.112 0.019 16 0 "[ . 1 . ]"
1 56 LEU 0.288 0.044 10 0 "[ . 1 . ]"
1 57 LEU 0.347 0.026 10 0 "[ . 1 . ]"
1 58 VAL 2.375 0.089 3 0 "[ . 1 . ]"
1 59 SER 0.033 0.015 2 0 "[ . 1 . ]"
1 61 THR 0.067 0.012 3 0 "[ . 1 . ]"
1 70 ALA 0.001 0.001 3 0 "[ . 1 . ]"
1 75 THR 0.048 0.024 6 0 "[ . 1 . ]"
1 77 GLY 0.214 0.030 17 0 "[ . 1 . ]"
1 78 VAL 0.557 0.039 14 0 "[ . 1 . ]"
1 79 TYR 0.101 0.025 8 0 "[ . 1 . ]"
1 81 CYS 0.379 0.063 14 0 "[ . 1 . ]"
1 86 LYS 0.379 0.063 14 0 "[ . 1 . ]"
1 88 TYR 0.101 0.025 8 0 "[ . 1 . ]"
1 90 VAL 0.214 0.030 17 0 "[ . 1 . ]"
1 92 PHE 0.048 0.024 6 0 "[ . 1 . ]"
1 93 GLU 0.589 0.041 12 0 "[ . 1 . ]"
1 95 PRO 1.542 0.107 5 0 "[ . 1 . ]"
1 96 GLY 0.316 0.047 11 0 "[ . 1 . ]"
1 98 VAL 0.084 0.013 8 0 "[ . 1 . ]"
1 100 VAL 0.809 0.067 10 0 "[ . 1 . ]"
1 103 SER 0.771 0.068 2 0 "[ . 1 . ]"
1 106 TYR 0.771 0.068 2 0 "[ . 1 . ]"
1 109 ARG 0.809 0.067 10 0 "[ . 1 . ]"
1 111 GLN 0.084 0.013 8 0 "[ . 1 . ]"
1 112 SER 0.121 0.024 7 0 "[ . 1 . ]"
1 113 HIS 0.893 0.047 11 0 "[ . 1 . ]"
1 114 VAL 1.542 0.107 5 0 "[ . 1 . ]"
1 115 LEU 0.692 0.063 10 0 "[ . 1 . ]"
1 116 LEU 0.589 0.041 12 0 "[ . 1 . ]"
1 119 GLY 0.292 0.027 17 0 "[ . 1 . ]"
1 128 GLY 0.010 0.007 8 0 "[ . 1 . ]"
1 130 LEU 0.200 0.048 13 0 "[ . 1 . ]"
1 131 ARG 0.557 0.039 14 0 "[ . 1 . ]"
1 132 CYS 0.464 0.033 13 0 "[ . 1 . ]"
1 135 GLY 0.464 0.033 13 0 "[ . 1 . ]"
1 136 VAL 0.001 0.001 3 0 "[ . 1 . ]"
1 137 ILE 0.104 0.038 1 0 "[ . 1 . ]"
1 138 GLY 0.200 0.048 13 0 "[ . 1 . ]"
1 139 LEU 0.345 0.033 17 0 "[ . 1 . ]"
1 140 VAL 0.010 0.007 8 0 "[ . 1 . ]"
1 141 THR 0.039 0.019 3 0 "[ . 1 . ]"
1 142 MET 0.230 0.028 8 0 "[ . 1 . ]"
1 144 GLY 0.098 0.018 9 0 "[ . 1 . ]"
1 146 GLY 0.292 0.027 17 0 "[ . 1 . ]"
1 147 VAL 0.098 0.018 9 0 "[ . 1 . ]"
1 149 GLY 0.269 0.028 8 0 "[ . 1 . ]"
1 150 PHE 0.692 0.063 10 0 "[ . 1 . ]"
1 151 ALA 0.345 0.033 17 0 "[ . 1 . ]"
1 152 ASP 0.577 0.037 14 0 "[ . 1 . ]"
1 153 VAL 0.328 0.038 1 0 "[ . 1 . ]"
1 156 LEU 0.224 0.023 10 0 "[ . 1 . ]"
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 26 VAL H 1 33 VAL O 2.000 . 2.300 2.276 2.096 2.323 0.023 10 0 "[ . 1 . ]" 2
2 1 26 VAL N 1 33 VAL O 2.900 2.600 3.200 3.171 2.802 3.245 0.045 17 0 "[ . 1 . ]" 2
3 1 28 VAL H 1 31 TYR O 2.000 . 2.300 1.996 1.889 2.207 . 0 0 "[ . 1 . ]" 2
4 1 28 VAL N 1 31 TYR O 2.900 2.600 3.200 2.765 2.588 2.851 0.012 2 0 "[ . 1 . ]" 2
5 1 28 VAL O 1 31 TYR H 2.000 . 2.300 1.861 1.748 1.983 . 0 0 "[ . 1 . ]" 2
6 1 28 VAL O 1 31 TYR N 2.900 2.600 3.200 2.756 2.643 2.881 . 0 0 "[ . 1 . ]" 2
7 1 32 LYS H 1 59 SER O 2.000 . 2.300 1.823 1.687 1.999 0.013 1 0 "[ . 1 . ]" 2
8 1 32 LYS N 1 59 SER O 2.900 2.600 3.200 2.694 2.585 2.828 0.015 2 0 "[ . 1 . ]" 2
9 1 26 VAL O 1 33 VAL H 2.000 . 2.300 2.178 1.911 2.311 0.011 5 0 "[ . 1 . ]" 2
10 1 26 VAL O 1 33 VAL N 2.900 2.600 3.200 3.013 2.717 3.161 . 0 0 "[ . 1 . ]" 2
11 1 34 VAL H 1 57 LEU O 2.000 . 2.300 2.262 2.165 2.308 0.008 4 0 "[ . 1 . ]" 2
12 1 34 VAL N 1 57 LEU O 2.900 2.600 3.200 3.148 3.066 3.225 0.025 8 0 "[ . 1 . ]" 2
13 1 36 ARG H 1 55 ASP O 2.000 . 2.300 1.699 1.681 1.749 0.019 16 0 "[ . 1 . ]" 2
14 1 36 ARG N 1 55 ASP O 2.900 2.600 3.200 2.646 2.619 2.698 . 0 0 "[ . 1 . ]" 2
15 1 35 ASN O 1 38 LEU H 2.000 . 2.300 1.970 1.893 2.004 . 0 0 "[ . 1 . ]" 2
16 1 35 ASN O 1 38 LEU N 2.900 2.600 3.200 2.802 2.758 2.832 . 0 0 "[ . 1 . ]" 2
17 1 36 ARG O 1 39 ALA H 2.000 . 2.300 2.263 2.165 2.322 0.022 6 0 "[ . 1 . ]" 2
18 1 36 ARG O 1 39 ALA N 2.900 2.600 3.200 3.179 3.118 3.224 0.024 8 0 "[ . 1 . ]" 2
19 1 40 THR O 1 44 TRP H 2.000 . 2.300 2.278 2.235 2.305 0.005 8 0 "[ . 1 . ]" 2
20 1 40 THR O 1 44 TRP N 2.900 2.600 3.200 3.214 3.180 3.236 0.036 8 0 "[ . 1 . ]" 2
21 1 48 VAL H 1 58 VAL O 2.000 . 2.300 1.678 1.650 1.701 0.050 12 0 "[ . 1 . ]" 2
22 1 48 VAL N 1 58 VAL O 2.900 2.600 3.200 2.588 2.566 2.634 0.034 14 0 "[ . 1 . ]" 2
23 1 49 TRP H 1 58 VAL O 2.000 . 2.300 2.319 2.306 2.332 0.032 3 0 "[ . 1 . ]" 2
24 1 49 TRP N 1 58 VAL O 2.900 2.600 3.200 3.275 3.263 3.289 0.089 3 0 "[ . 1 . ]" 2
25 1 51 ASP H 1 56 LEU O 2.000 . 2.300 1.850 1.681 2.167 0.019 9 0 "[ . 1 . ]" 2
26 1 51 ASP N 1 56 LEU O 2.900 2.600 3.200 2.750 2.620 2.970 . 0 0 "[ . 1 . ]" 2
27 1 51 ASP O 1 54 ARG H 2.000 . 2.300 2.321 2.308 2.344 0.044 10 0 "[ . 1 . ]" 2
28 1 51 ASP O 1 54 ARG N 2.900 2.600 3.200 3.123 3.023 3.186 . 0 0 "[ . 1 . ]" 2
29 1 34 VAL O 1 57 LEU H 2.000 . 2.300 2.299 2.152 2.322 0.022 12 0 "[ . 1 . ]" 2
30 1 34 VAL O 1 57 LEU N 2.900 2.600 3.200 3.199 3.118 3.226 0.026 10 0 "[ . 1 . ]" 2
31 1 49 TRP O 1 58 VAL H 2.000 . 2.300 1.713 1.677 1.792 0.023 1 0 "[ . 1 . ]" 2
32 1 49 TRP O 1 58 VAL N 2.900 2.600 3.200 2.651 2.626 2.731 . 0 0 "[ . 1 . ]" 2
33 1 32 LYS O 1 59 SER H 2.000 . 2.300 2.083 1.990 2.200 . 0 0 "[ . 1 . ]" 2
34 1 32 LYS O 1 59 SER N 2.900 2.600 3.200 3.016 2.905 3.120 . 0 0 "[ . 1 . ]" 2
35 1 78 VAL H 1 131 ARG O 2.000 . 2.300 2.268 2.097 2.326 0.026 17 0 "[ . 1 . ]" 2
36 1 78 VAL N 1 131 ARG O 2.900 2.600 3.200 3.130 2.905 3.226 0.026 15 0 "[ . 1 . ]" 2
37 1 77 GLY O 1 90 VAL H 2.000 . 2.300 1.722 1.670 1.885 0.030 17 0 "[ . 1 . ]" 2
38 1 77 GLY O 1 90 VAL N 2.900 2.600 3.200 2.608 2.576 2.661 0.024 15 0 "[ . 1 . ]" 2
39 1 98 VAL H 1 111 GLN O 2.000 . 2.300 1.803 1.687 2.157 0.013 8 0 "[ . 1 . ]" 2
40 1 98 VAL N 1 111 GLN O 2.900 2.600 3.200 2.775 2.637 3.134 . 0 0 "[ . 1 . ]" 2
41 1 100 VAL O 1 109 ARG H 2.000 . 2.300 2.347 2.323 2.367 0.067 10 0 "[ . 1 . ]" 2
42 1 100 VAL O 1 109 ARG N 2.900 2.600 3.200 2.987 2.872 3.124 . 0 0 "[ . 1 . ]" 2
43 1 53 ASN O 1 112 SER H 2.000 . 2.300 1.900 1.718 2.302 0.002 4 0 "[ . 1 . ]" 2
44 1 53 ASN O 1 112 SER N 2.900 2.600 3.200 2.703 2.576 3.127 0.024 7 0 "[ . 1 . ]" 2
45 1 142 MET O 1 149 GLY H 2.000 . 2.300 2.089 1.776 2.328 0.028 8 0 "[ . 1 . ]" 2
46 1 142 MET O 1 149 GLY N 2.900 2.600 3.200 2.676 2.572 2.834 0.028 15 0 "[ . 1 . ]" 2
47 1 139 LEU O 1 151 ALA H 2.000 . 2.300 1.707 1.667 1.785 0.033 17 0 "[ . 1 . ]" 2
48 1 139 LEU O 1 151 ALA N 2.900 2.600 3.200 2.615 2.571 2.729 0.029 10 0 "[ . 1 . ]" 2
49 1 113 HIS O 1 152 ASP H 2.000 . 2.300 2.321 2.307 2.337 0.037 14 0 "[ . 1 . ]" 2
50 1 113 HIS O 1 152 ASP N 2.900 2.600 3.200 3.205 3.105 3.236 0.036 17 0 "[ . 1 . ]" 2
51 1 103 SER H 1 106 TYR O 2.000 . 2.300 2.345 2.322 2.368 0.068 2 0 "[ . 1 . ]" 2
52 1 103 SER N 1 106 TYR O 2.900 2.600 3.200 3.069 2.862 3.188 . 0 0 "[ . 1 . ]" 2
53 1 119 GLY H 1 146 GLY O 2.000 . 2.300 2.317 2.304 2.327 0.027 17 0 "[ . 1 . ]" 2
54 1 119 GLY N 1 146 GLY O 2.900 2.600 3.200 3.116 3.027 3.197 . 0 0 "[ . 1 . ]" 2
55 1 78 VAL O 1 131 ARG H 2.000 . 2.300 2.301 2.210 2.339 0.039 14 0 "[ . 1 . ]" 2
56 1 78 VAL O 1 131 ARG N 2.900 2.600 3.200 3.178 3.106 3.225 0.025 10 0 "[ . 1 . ]" 2
57 1 132 CYS O 1 135 GLY H 2.000 . 2.300 2.288 1.998 2.312 0.012 13 0 "[ . 1 . ]" 2
58 1 132 CYS O 1 135 GLY N 2.900 2.600 3.200 2.918 2.799 2.984 . 0 0 "[ . 1 . ]" 2
59 1 130 LEU O 1 138 GLY H 2.000 . 2.300 2.250 2.130 2.319 0.019 1 0 "[ . 1 . ]" 2
60 1 130 LEU O 1 138 GLY N 2.900 2.600 3.200 3.155 3.021 3.248 0.048 13 0 "[ . 1 . ]" 2
61 1 137 ILE O 1 153 VAL H 2.000 . 2.300 1.788 1.662 1.973 0.038 1 0 "[ . 1 . ]" 2
62 1 137 ILE O 1 153 VAL N 2.900 2.600 3.200 2.731 2.592 2.908 0.008 1 0 "[ . 1 . ]" 2
63 1 153 VAL O 1 156 LEU H 2.000 . 2.300 2.303 2.261 2.323 0.023 10 0 "[ . 1 . ]" 2
64 1 153 VAL O 1 156 LEU N 2.900 2.600 3.200 3.204 3.191 3.221 0.021 13 0 "[ . 1 . ]" 2
65 1 41 HIS O 1 45 GLN H 2.000 . 2.300 2.020 1.843 2.188 . 0 0 "[ . 1 . ]" 2
66 1 41 HIS O 1 45 GLN N 2.900 2.600 3.200 2.851 2.725 2.960 . 0 0 "[ . 1 . ]" 2
67 1 42 VAL O 1 46 ASN H 2.000 . 2.300 2.300 2.277 2.326 0.026 10 0 "[ . 1 . ]" 2
68 1 42 VAL O 1 46 ASN N 2.900 2.600 3.200 3.212 3.191 3.225 0.025 2 0 "[ . 1 . ]" 2
69 1 51 ASP O 1 56 LEU H 2.000 . 2.300 2.276 2.178 2.332 0.032 17 0 "[ . 1 . ]" 2
70 1 51 ASP O 1 56 LEU N 2.900 2.600 3.200 3.199 3.129 3.244 0.044 10 0 "[ . 1 . ]" 2
71 1 30 ASN O 1 61 THR H 2.000 . 2.300 2.245 2.154 2.312 0.012 3 0 "[ . 1 . ]" 2
72 1 30 ASN O 1 61 THR N 2.900 2.600 3.200 3.117 3.067 3.164 . 0 0 "[ . 1 . ]" 2
73 1 70 ALA H 1 136 VAL O 2.000 . 2.300 1.858 1.699 2.086 0.001 3 0 "[ . 1 . ]" 2
74 1 70 ALA N 1 136 VAL O 2.900 2.600 3.200 2.786 2.633 3.016 . 0 0 "[ . 1 . ]" 2
75 1 77 GLY H 1 90 VAL O 2.000 . 2.300 1.959 1.698 2.300 0.002 16 0 "[ . 1 . ]" 2
76 1 77 GLY N 1 90 VAL O 2.900 2.600 3.200 2.861 2.639 3.056 . 0 0 "[ . 1 . ]" 2
77 1 79 TYR H 1 88 TYR O 2.000 . 2.300 1.901 1.687 2.305 0.013 3 0 "[ . 1 . ]" 2
78 1 79 TYR N 1 88 TYR O 2.900 2.600 3.200 2.809 2.575 3.201 0.025 8 0 "[ . 1 . ]" 2
79 1 81 CYS H 1 86 LYS O 2.000 . 2.300 2.307 2.246 2.332 0.032 16 0 "[ . 1 . ]" 2
80 1 81 CYS N 1 86 LYS O 2.900 2.600 3.200 3.140 2.829 3.263 0.063 14 0 "[ . 1 . ]" 2
81 1 79 TYR O 1 88 TYR H 2.000 . 2.300 2.098 1.711 2.303 0.003 9 0 "[ . 1 . ]" 2
82 1 79 TYR O 1 88 TYR N 2.900 2.600 3.200 3.021 2.587 3.208 0.013 3 0 "[ . 1 . ]" 2
83 1 75 THR O 1 92 PHE H 2.000 . 2.300 2.093 1.676 2.309 0.024 6 0 "[ . 1 . ]" 2
84 1 75 THR O 1 92 PHE N 2.900 2.600 3.200 2.940 2.614 3.189 . 0 0 "[ . 1 . ]" 2
85 1 93 GLU H 1 116 LEU O 2.000 . 2.300 2.230 2.080 2.316 0.016 9 0 "[ . 1 . ]" 2
86 1 93 GLU N 1 116 LEU O 2.900 2.600 3.200 3.144 2.970 3.233 0.033 9 0 "[ . 1 . ]" 2
87 1 100 VAL H 1 109 ARG O 2.000 . 2.300 1.961 1.849 2.085 . 0 0 "[ . 1 . ]" 2
88 1 100 VAL N 1 109 ARG O 2.900 2.600 3.200 2.663 2.595 2.800 0.005 4 0 "[ . 1 . ]" 2
89 1 98 VAL O 1 111 GLN H 2.000 . 2.300 2.123 1.986 2.294 . 0 0 "[ . 1 . ]" 2
90 1 98 VAL O 1 111 GLN N 2.900 2.600 3.200 3.018 2.865 3.210 0.010 12 0 "[ . 1 . ]" 2
91 1 96 GLY O 1 113 HIS H 2.000 . 2.300 1.848 1.737 1.928 . 0 0 "[ . 1 . ]" 2
92 1 96 GLY O 1 113 HIS N 2.900 2.600 3.200 2.581 2.553 2.594 0.047 11 0 "[ . 1 . ]" 2
93 1 95 PRO O 1 114 VAL H 2.000 . 2.300 2.357 2.333 2.407 0.107 5 0 "[ . 1 . ]" 2
94 1 95 PRO O 1 114 VAL N 2.900 2.600 3.200 3.234 3.205 3.252 0.052 13 0 "[ . 1 . ]" 2
95 1 115 LEU H 1 150 PHE O 2.000 . 2.300 1.664 1.637 1.694 0.063 10 0 "[ . 1 . ]" 2
96 1 115 LEU N 1 150 PHE O 2.900 2.600 3.200 2.622 2.598 2.641 0.002 9 0 "[ . 1 . ]" 2
97 1 93 GLU O 1 116 LEU H 2.000 . 2.300 2.323 2.250 2.341 0.041 12 0 "[ . 1 . ]" 2
98 1 93 GLU O 1 116 LEU N 2.900 2.600 3.200 3.178 3.139 3.208 0.008 13 0 "[ . 1 . ]" 2
99 1 130 LEU H 1 138 GLY O 2.000 . 2.300 1.939 1.701 2.305 0.005 14 0 "[ . 1 . ]" 2
100 1 130 LEU N 1 138 GLY O 2.900 2.600 3.200 2.764 2.596 3.076 0.004 13 0 "[ . 1 . ]" 2
101 1 132 CYS H 1 135 GLY O 2.000 . 2.300 1.710 1.667 1.838 0.033 13 0 "[ . 1 . ]" 2
102 1 132 CYS N 1 135 GLY O 2.900 2.600 3.200 2.591 2.570 2.623 0.030 3 0 "[ . 1 . ]" 2
103 1 139 LEU H 1 151 ALA O 2.000 . 2.300 1.976 1.714 2.306 0.006 16 0 "[ . 1 . ]" 2
104 1 139 LEU N 1 151 ALA O 2.900 2.600 3.200 2.848 2.615 3.107 . 0 0 "[ . 1 . ]" 2
105 1 128 GLY O 1 140 VAL H 2.000 . 2.300 2.095 1.792 2.307 0.007 8 0 "[ . 1 . ]" 2
106 1 128 GLY O 1 140 VAL N 2.900 2.600 3.200 2.925 2.646 3.202 0.002 1 0 "[ . 1 . ]" 2
107 1 141 THR H 1 149 GLY O 2.000 . 2.300 1.830 1.695 2.020 0.005 16 0 "[ . 1 . ]" 2
108 1 141 THR N 1 149 GLY O 2.900 2.600 3.200 2.699 2.581 2.899 0.019 3 0 "[ . 1 . ]" 2
109 1 144 GLY H 1 147 VAL O 2.000 . 2.300 2.213 1.897 2.318 0.018 9 0 "[ . 1 . ]" 2
110 1 144 GLY N 1 147 VAL O 2.900 2.600 3.200 3.005 2.701 3.216 0.016 1 0 "[ . 1 . ]" 2
111 1 115 LEU O 1 150 PHE H 2.000 . 2.300 1.740 1.673 1.813 0.027 5 0 "[ . 1 . ]" 2
112 1 115 LEU O 1 150 PHE N 2.900 2.600 3.200 2.683 2.580 2.773 0.020 5 0 "[ . 1 . ]" 2
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