NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397926 |
1t3k   |
6195 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1t3k
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 727
_Distance_constraint_stats_list.Viol_count 2421
_Distance_constraint_stats_list.Viol_total 4680.551
_Distance_constraint_stats_list.Viol_max 0.490
_Distance_constraint_stats_list.Viol_rms 0.0526
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.0967
_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 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 MET 0.039 0.036 12 0 "[ . 1 . 2]"
1 24 ALA 0.067 0.036 12 0 "[ . 1 . 2]"
1 25 ARG 0.063 0.035 7 0 "[ . 1 . 2]"
1 26 SER 0.108 0.037 3 0 "[ . 1 . 2]"
1 27 ILE 0.784 0.166 20 0 "[ . 1 . 2]"
1 28 SER 2.323 0.184 10 0 "[ . 1 . 2]"
1 29 TYR 1.047 0.243 13 0 "[ . 1 . 2]"
1 30 ILE 0.824 0.162 19 0 "[ . 1 . 2]"
1 31 THR 4.712 0.343 13 0 "[ . 1 . 2]"
1 33 THR 5.770 0.252 6 0 "[ . 1 . 2]"
1 34 GLN 5.905 0.343 13 0 "[ . 1 . 2]"
1 35 LEU 0.283 0.125 8 0 "[ . 1 . 2]"
1 36 LEU 5.770 0.252 6 0 "[ . 1 . 2]"
1 38 LEU 3.115 0.241 4 0 "[ . 1 . 2]"
1 39 HIS 3.239 0.316 3 0 "[ . 1 . 2]"
1 40 ARG 2.754 0.316 3 0 "[ . 1 . 2]"
1 41 ARG 1.408 0.265 3 0 "[ . 1 . 2]"
1 42 PRO 1.330 0.284 17 0 "[ . 1 . 2]"
1 43 ASN 10.116 0.394 10 0 "[ . 1 . 2]"
1 44 ILE 1.871 0.314 13 0 "[ . 1 . 2]"
1 45 ALA 2.861 0.314 13 0 "[ . 1 . 2]"
1 46 ILE 3.854 0.309 7 0 "[ . 1 . 2]"
1 47 ILE 2.375 0.295 7 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.948 0.220 11 0 "[ . 1 . 2]"
1 50 ARG 0.169 0.084 4 0 "[ . 1 . 2]"
1 51 ASP 3.397 0.244 4 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 1.616 0.192 5 0 "[ . 1 . 2]"
1 54 ARG 2.243 0.312 4 0 "[ . 1 . 2]"
1 55 ASN 2.759 0.312 4 0 "[ . 1 . 2]"
1 56 TYR 1.109 0.099 14 0 "[ . 1 . 2]"
1 57 ASP 1.569 0.178 9 0 "[ . 1 . 2]"
1 58 GLY 0.970 0.178 9 0 "[ . 1 . 2]"
1 59 HIS 3.022 0.383 10 0 "[ . 1 . 2]"
1 60 ILE 0.696 0.307 17 0 "[ . 1 . 2]"
1 61 ALA 6.117 0.439 14 0 "[ . 1 . 2]"
1 62 GLY 6.332 0.289 12 0 "[ . 1 . 2]"
1 63 SER 3.241 0.183 1 0 "[ . 1 . 2]"
1 64 LEU 0.709 0.077 18 0 "[ . 1 . 2]"
1 65 HIS 0.415 0.128 12 0 "[ . 1 . 2]"
1 66 TYR 3.226 0.265 4 0 "[ . 1 . 2]"
1 67 ALA 5.754 0.440 17 0 "[ . 1 . 2]"
1 68 SER 4.441 0.486 12 0 "[ . 1 . 2]"
1 69 GLY 3.284 0.486 12 0 "[ . 1 . 2]"
1 70 SER 2.792 0.348 16 0 "[ . 1 . 2]"
1 71 PHE 14.328 0.480 16 0 "[ . 1 . 2]"
1 72 ASP 8.933 0.395 4 0 "[ . 1 . 2]"
1 73 ASP 2.153 0.183 10 0 "[ . 1 . 2]"
1 74 LYS 5.464 0.480 16 0 "[ . 1 . 2]"
1 75 ILE 7.877 0.427 3 0 "[ . 1 . 2]"
1 76 SER 11.102 0.452 8 0 "[ . 1 . 2]"
1 77 HIS 16.183 0.452 8 0 "[ . 1 . 2]"
1 78 LEU 5.436 0.458 16 0 "[ . 1 . 2]"
1 79 VAL 10.051 0.458 16 0 "[ . 1 . 2]"
1 80 GLN 5.724 0.327 7 0 "[ . 1 . 2]"
1 81 ASN 6.449 0.327 7 0 "[ . 1 . 2]"
1 82 VAL 1.440 0.158 8 0 "[ . 1 . 2]"
1 83 LYS 3.895 0.217 18 0 "[ . 1 . 2]"
1 84 ASP 1.260 0.195 4 0 "[ . 1 . 2]"
1 85 LYS 10.250 0.394 10 0 "[ . 1 . 2]"
1 86 ASP 13.422 0.456 3 0 "[ . 1 . 2]"
1 87 THR 2.481 0.413 11 0 "[ . 1 . 2]"
1 88 LEU 0.630 0.095 18 0 "[ . 1 . 2]"
1 89 VAL 2.778 0.309 7 0 "[ . 1 . 2]"
1 90 PHE 0.429 0.105 6 0 "[ . 1 . 2]"
1 91 HIS 3.629 0.295 7 0 "[ . 1 . 2]"
1 92 SER 2.641 0.222 19 0 "[ . 1 . 2]"
1 94 LEU 2.602 0.490 15 0 "[ . 1 . 2]"
1 95 SER 3.228 0.194 18 0 "[ . 1 . 2]"
1 96 GLN 3.362 0.490 15 0 "[ . 1 . 2]"
1 97 VAL 0.494 0.080 4 0 "[ . 1 . 2]"
1 98 ARG 3.076 0.216 3 0 "[ . 1 . 2]"
1 99 GLY 1.423 0.146 6 0 "[ . 1 . 2]"
1 100 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 3.829 0.216 3 0 "[ . 1 . 2]"
1 102 CYS 0.189 0.105 6 0 "[ . 1 . 2]"
1 103 ALA 2.169 0.141 1 0 "[ . 1 . 2]"
1 104 ARG 0.757 0.119 12 0 "[ . 1 . 2]"
1 105 ARG 1.346 0.179 2 0 "[ . 1 . 2]"
1 106 LEU 4.279 0.427 3 0 "[ . 1 . 2]"
1 107 VAL 0.063 0.063 8 0 "[ . 1 . 2]"
1 108 ASN 7.017 0.251 8 0 "[ . 1 . 2]"
1 109 TYR 18.944 0.443 17 0 "[ . 1 . 2]"
1 110 LEU 1.404 0.407 14 0 "[ . 1 . 2]"
1 111 ASP 2.509 0.261 17 0 "[ . 1 . 2]"
1 112 GLU 2.721 0.264 11 0 "[ . 1 . 2]"
1 113 LYS 1.607 0.251 13 0 "[ . 1 . 2]"
1 114 LYS 2.325 0.251 13 0 "[ . 1 . 2]"
1 115 GLU 0.827 0.097 17 0 "[ . 1 . 2]"
1 116 ASP 0.619 0.097 17 0 "[ . 1 . 2]"
1 117 THR 1.044 0.213 20 0 "[ . 1 . 2]"
1 118 GLY 1.006 0.214 1 0 "[ . 1 . 2]"
1 119 ILE 8.653 0.319 17 0 "[ . 1 . 2]"
1 120 LYS 5.875 0.456 3 0 "[ . 1 . 2]"
1 121 ASN 1.721 0.413 11 0 "[ . 1 . 2]"
1 122 ILE 3.122 0.319 17 0 "[ . 1 . 2]"
1 123 MET 1.139 0.140 7 0 "[ . 1 . 2]"
1 124 ILE 1.058 0.243 13 0 "[ . 1 . 2]"
1 125 LEU 2.259 0.243 18 0 "[ . 1 . 2]"
1 126 GLU 0.888 0.162 19 0 "[ . 1 . 2]"
1 127 ARG 1.161 0.139 18 0 "[ . 1 . 2]"
1 128 GLY 1.321 0.163 6 0 "[ . 1 . 2]"
1 129 PHE 0.831 0.223 12 0 "[ . 1 . 2]"
1 130 ASN 1.086 0.101 18 0 "[ . 1 . 2]"
1 131 GLY 4.574 0.315 16 0 "[ . 1 . 2]"
1 132 TRP 7.416 0.400 5 0 "[ . 1 . 2]"
1 133 GLU 5.399 0.481 10 0 "[ . 1 . 2]"
1 134 ALA 2.394 0.327 12 0 "[ . 1 . 2]"
1 135 SER 6.447 0.480 8 0 "[ . 1 . 2]"
1 136 GLY 3.248 0.327 12 0 "[ . 1 . 2]"
1 137 LYS 4.280 0.480 8 0 "[ . 1 . 2]"
1 138 PRO 0.117 0.061 9 0 "[ . 1 . 2]"
1 139 VAL 6.306 0.481 10 0 "[ . 1 . 2]"
1 140 CYS 7.496 0.390 20 0 "[ . 1 . 2]"
1 141 ARG 0.614 0.150 17 0 "[ . 1 . 2]"
1 142 CYS 4.565 0.415 19 0 "[ . 1 . 2]"
1 143 ALA 11.308 0.420 18 0 "[ . 1 . 2]"
1 144 GLU 10.862 0.420 18 0 "[ . 1 . 2]"
1 145 VAL 1.727 0.320 18 0 "[ . 1 . 2]"
1 146 PRO 0.120 0.064 10 0 "[ . 1 . 2]"
1 147 CYS 2.734 0.311 9 0 "[ . 1 . 2]"
1 148 LYS 10.714 0.468 19 0 "[ . 1 . 2]"
1 149 GLY 6.350 0.304 3 0 "[ . 1 . 2]"
1 150 ASP 3.671 0.442 3 0 "[ . 1 . 2]"
1 151 CYS 8.960 0.468 19 0 "[ . 1 . 2]"
1 152 ALA 0.663 0.442 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 ALA HA 1 23 MET H 2.500 . 2.900 2.467 2.132 2.881 . 0 0 "[ . 1 . 2]" 1
2 1 23 MET HA 1 24 ALA H 2.500 . 2.900 2.413 2.143 2.936 0.036 12 0 "[ . 1 . 2]" 1
3 1 24 ALA HA 1 25 ARG H 2.500 . 2.900 2.447 2.138 2.928 0.028 7 0 "[ . 1 . 2]" 1
4 1 25 ARG HA 1 26 SER H 2.500 . 2.900 2.534 2.138 2.935 0.035 7 0 "[ . 1 . 2]" 1
5 1 26 SER HA 1 27 ILE H 3.000 . 4.300 3.029 2.196 3.589 . 0 0 "[ . 1 . 2]" 1
6 1 26 SER QB 1 27 ILE H 2.500 . 2.900 2.290 1.978 2.937 0.037 3 0 "[ . 1 . 2]" 1
7 1 27 ILE H 1 28 SER H 4.000 . 5.000 3.992 2.794 4.631 . 0 0 "[ . 1 . 2]" 1
8 1 27 ILE HA 1 28 SER H 2.500 . 2.900 2.463 2.131 2.992 0.092 7 0 "[ . 1 . 2]" 1
9 1 27 ILE HB 1 28 SER H 4.000 . 4.300 3.758 1.973 4.466 0.166 20 0 "[ . 1 . 2]" 1
10 1 27 ILE MD 1 28 SER H 4.000 . 4.300 3.763 1.928 4.379 0.079 1 0 "[ . 1 . 2]" 1
11 1 27 ILE MG 1 28 SER H 4.000 . 4.300 3.849 2.060 4.340 0.040 6 0 "[ . 1 . 2]" 1
12 1 28 SER H 1 28 SER HA 3.000 . 4.300 2.929 2.913 2.950 . 0 0 "[ . 1 . 2]" 1
13 1 28 SER H 1 28 SER QB 3.000 . 4.300 2.909 2.367 3.290 . 0 0 "[ . 1 . 2]" 1
14 1 28 SER H 1 123 MET HA 2.500 . 2.900 2.386 1.871 3.040 0.140 7 0 "[ . 1 . 2]" 1
15 1 28 SER H 1 123 MET HB2 4.000 . 5.000 4.900 4.572 5.132 0.132 10 0 "[ . 1 . 2]" 1
16 1 28 SER H 1 123 MET HB3 4.000 . 5.000 4.112 3.289 4.585 . 0 0 "[ . 1 . 2]" 1
17 1 28 SER H 1 123 MET QG 4.000 . 5.000 2.962 2.175 4.392 . 0 0 "[ . 1 . 2]" 1
18 1 28 SER H 1 124 ILE H 4.000 . 5.000 4.190 3.600 4.906 . 0 0 "[ . 1 . 2]" 1
19 1 28 SER HA 1 29 TYR H 2.500 . 2.900 2.297 2.098 2.491 . 0 0 "[ . 1 . 2]" 1
20 1 28 SER HA 1 124 ILE H 4.000 . 5.000 4.633 4.159 5.097 0.097 7 0 "[ . 1 . 2]" 1
21 1 28 SER QB 1 29 TYR H 2.500 . 2.900 2.665 2.156 3.084 0.184 10 0 "[ . 1 . 2]" 1
22 1 29 TYR H 1 29 TYR HA 3.000 . 4.300 2.918 2.891 2.948 . 0 0 "[ . 1 . 2]" 1
23 1 29 TYR H 1 29 TYR QD 3.000 . 4.300 2.368 1.855 3.209 . 0 0 "[ . 1 . 2]" 1
24 1 29 TYR H 1 29 TYR QE 4.000 . 5.000 3.723 3.340 4.467 . 0 0 "[ . 1 . 2]" 1
25 1 29 TYR H 1 30 ILE H 4.000 . 5.000 4.555 4.313 4.616 . 0 0 "[ . 1 . 2]" 1
26 1 29 TYR HA 1 30 ILE H 2.500 . 2.900 2.306 2.197 2.383 . 0 0 "[ . 1 . 2]" 1
27 1 29 TYR HA 1 124 ILE H 2.500 . 2.900 1.907 1.557 2.406 0.243 13 0 "[ . 1 . 2]" 1
28 1 29 TYR HB2 1 30 ILE H 3.000 . 4.300 2.909 2.624 3.655 . 0 0 "[ . 1 . 2]" 1
29 1 29 TYR HB3 1 30 ILE H 3.000 . 4.300 3.526 2.755 3.993 . 0 0 "[ . 1 . 2]" 1
30 1 29 TYR QD 1 30 ILE H 4.000 . 5.000 4.273 3.106 4.924 . 0 0 "[ . 1 . 2]" 1
31 1 29 TYR QD 1 124 ILE H 4.000 . 5.000 4.414 2.893 4.879 . 0 0 "[ . 1 . 2]" 1
32 1 29 TYR QE 1 124 ILE MG 4.000 . 5.000 4.065 3.255 4.975 . 0 0 "[ . 1 . 2]" 1
33 1 30 ILE H 1 30 ILE HA 3.000 . 4.300 2.943 2.924 2.957 . 0 0 "[ . 1 . 2]" 1
34 1 30 ILE H 1 31 THR H 4.000 . 5.000 4.396 4.274 4.526 . 0 0 "[ . 1 . 2]" 1
35 1 30 ILE H 1 124 ILE H 3.000 . 4.300 3.560 3.078 3.930 . 0 0 "[ . 1 . 2]" 1
36 1 30 ILE H 1 126 GLU H 3.000 . 4.300 4.120 3.587 4.462 0.162 19 0 "[ . 1 . 2]" 1
37 1 30 ILE H 1 126 GLU HG2 4.000 . 5.000 4.514 3.223 5.042 0.042 15 0 "[ . 1 . 2]" 1
38 1 30 ILE H 1 126 GLU HG3 4.000 . 5.000 4.512 3.131 5.073 0.073 6 0 "[ . 1 . 2]" 1
39 1 30 ILE HA 1 31 THR H 2.500 . 2.900 2.211 2.076 2.473 . 0 0 "[ . 1 . 2]" 1
40 1 31 THR H 1 31 THR MG 4.000 . 5.000 3.400 1.789 3.810 0.011 9 0 "[ . 1 . 2]" 1
41 1 31 THR H 1 34 GLN H 4.000 . 5.000 3.567 3.214 4.057 . 0 0 "[ . 1 . 2]" 1
42 1 31 THR H 1 34 GLN HA 4.000 . 5.000 4.580 4.399 4.804 . 0 0 "[ . 1 . 2]" 1
43 1 31 THR H 1 34 GLN HB2 2.500 . 2.900 2.143 1.724 3.215 0.315 13 0 "[ . 1 . 2]" 1
44 1 31 THR H 1 34 GLN HB3 2.500 . 2.900 2.718 1.765 3.002 0.102 8 0 "[ . 1 . 2]" 1
45 1 31 THR H 1 34 GLN HG2 2.500 . 2.900 2.710 1.745 3.217 0.317 1 0 "[ . 1 . 2]" 1
46 1 31 THR H 1 34 GLN HG3 2.500 . 2.900 2.300 1.735 3.243 0.343 13 0 "[ . 1 . 2]" 1
47 1 31 THR HA 1 126 GLU HG2 4.000 . 5.000 3.426 1.799 5.012 0.012 6 0 "[ . 1 . 2]" 1
48 1 31 THR HA 1 126 GLU HG3 4.000 . 5.000 3.453 2.040 4.966 . 0 0 "[ . 1 . 2]" 1
49 1 33 THR H 1 33 THR HA 2.500 . 2.900 2.833 2.808 2.875 . 0 0 "[ . 1 . 2]" 1
50 1 33 THR H 1 33 THR HB 4.000 . 5.000 3.595 3.576 3.606 . 0 0 "[ . 1 . 2]" 1
51 1 33 THR H 1 33 THR MG 4.000 . 5.000 2.516 2.353 2.690 . 0 0 "[ . 1 . 2]" 1
52 1 33 THR H 1 34 GLN H 4.000 . 5.000 2.605 2.440 2.720 . 0 0 "[ . 1 . 2]" 1
53 1 33 THR HA 1 36 LEU H 2.500 . 2.900 3.056 2.969 3.152 0.252 6 0 "[ . 1 . 2]" 1
54 1 33 THR HB 1 34 GLN H 4.000 . 5.000 3.659 3.581 3.718 . 0 0 "[ . 1 . 2]" 1
55 1 33 THR HB 1 36 LEU H 3.000 . 4.300 4.432 4.409 4.465 0.165 18 0 "[ . 1 . 2]" 1
56 1 33 THR HG1 1 34 GLN H 4.000 . 5.000 2.918 2.028 3.437 . 0 0 "[ . 1 . 2]" 1
57 1 34 GLN H 1 34 GLN HA 2.500 . 2.900 2.796 2.784 2.814 . 0 0 "[ . 1 . 2]" 1
58 1 34 GLN H 1 35 LEU H 2.500 . 2.900 2.619 2.561 2.682 . 0 0 "[ . 1 . 2]" 1
59 1 34 GLN HA 1 38 LEU H 4.000 . 5.000 4.891 4.091 5.208 0.208 4 0 "[ . 1 . 2]" 1
60 1 34 GLN QB 1 35 LEU H 3.000 . 4.300 3.097 2.827 3.608 . 0 0 "[ . 1 . 2]" 1
61 1 34 GLN QG 1 35 LEU H 3.000 . 4.300 3.900 2.517 4.425 0.125 8 0 "[ . 1 . 2]" 1
62 1 35 LEU H 1 35 LEU HA 3.000 . 4.300 2.856 2.839 2.865 . 0 0 "[ . 1 . 2]" 1
63 1 35 LEU H 1 36 LEU H 3.000 . 4.300 2.457 2.384 2.518 . 0 0 "[ . 1 . 2]" 1
64 1 35 LEU HA 1 36 LEU H 3.000 . 4.300 3.512 3.481 3.567 . 0 0 "[ . 1 . 2]" 1
65 1 38 LEU H 1 39 HIS H 2.500 . 2.900 2.896 2.543 3.141 0.241 4 0 "[ . 1 . 2]" 1
66 1 38 LEU HA 1 39 HIS H 3.000 . 4.300 3.014 2.228 3.553 . 0 0 "[ . 1 . 2]" 1
67 1 38 LEU HA 1 40 ARG H 4.000 . 5.000 4.121 3.205 5.173 0.173 17 0 "[ . 1 . 2]" 1
68 1 38 LEU QB 1 39 HIS H 3.000 . 4.300 3.368 1.917 4.032 . 0 0 "[ . 1 . 2]" 1
69 1 38 LEU MD1 1 39 HIS H 4.000 . 5.000 4.174 1.997 5.119 0.119 20 0 "[ . 1 . 2]" 1
70 1 39 HIS H 1 39 HIS HA 2.500 . 2.900 2.564 2.273 2.923 0.023 15 0 "[ . 1 . 2]" 1
71 1 39 HIS H 1 39 HIS HB2 3.000 . 4.300 2.954 2.090 3.814 . 0 0 "[ . 1 . 2]" 1
72 1 39 HIS H 1 39 HIS HB3 3.000 . 4.300 3.676 2.747 4.151 . 0 0 "[ . 1 . 2]" 1
73 1 39 HIS H 1 40 ARG H 2.500 . 2.900 2.808 1.809 3.216 0.316 3 0 "[ . 1 . 2]" 1
74 1 39 HIS HA 1 40 ARG H 3.000 . 4.300 3.104 2.339 3.522 . 0 0 "[ . 1 . 2]" 1
75 1 39 HIS HB2 1 40 ARG H 4.000 . 5.000 3.835 2.636 4.656 . 0 0 "[ . 1 . 2]" 1
76 1 39 HIS HB3 1 40 ARG H 4.000 . 5.000 3.848 2.840 4.596 . 0 0 "[ . 1 . 2]" 1
77 1 39 HIS HB3 1 41 ARG H 4.000 . 5.000 4.039 2.430 5.059 0.059 14 0 "[ . 1 . 2]" 1
78 1 40 ARG H 1 40 ARG HA 2.500 . 2.900 2.504 2.266 2.940 0.040 11 0 "[ . 1 . 2]" 1
79 1 40 ARG H 1 41 ARG H 2.500 . 2.900 2.920 2.559 3.165 0.265 3 0 "[ . 1 . 2]" 1
80 1 40 ARG HA 1 41 ARG H 3.000 . 4.300 2.877 2.362 3.526 . 0 0 "[ . 1 . 2]" 1
81 1 41 ARG H 1 41 ARG HA 2.500 . 2.900 2.728 2.270 2.942 0.042 6 0 "[ . 1 . 2]" 1
82 1 42 PRO HA 1 43 ASN H 3.000 . 4.300 3.190 2.452 3.568 . 0 0 "[ . 1 . 2]" 1
83 1 42 PRO HA 1 44 ILE H 4.000 . 5.000 4.015 3.123 5.093 0.093 14 0 "[ . 1 . 2]" 1
84 1 42 PRO QB 1 43 ASN H 4.000 . 5.000 2.913 1.704 4.007 0.096 20 0 "[ . 1 . 2]" 1
85 1 42 PRO HD2 1 43 ASN H 4.000 . 5.000 3.486 1.905 5.032 0.032 19 0 "[ . 1 . 2]" 1
86 1 42 PRO HD3 1 43 ASN H 4.000 . 5.000 4.389 3.384 5.284 0.284 17 0 "[ . 1 . 2]" 1
87 1 42 PRO QG 1 43 ASN H 4.000 . 5.000 3.670 1.976 4.854 . 0 0 "[ . 1 . 2]" 1
88 1 43 ASN H 1 43 ASN HA 2.500 . 2.900 2.694 2.279 2.937 0.037 3 0 "[ . 1 . 2]" 1
89 1 43 ASN H 1 43 ASN HB2 3.000 . 4.300 3.483 2.510 4.033 . 0 0 "[ . 1 . 2]" 1
90 1 43 ASN H 1 43 ASN HB3 3.000 . 4.300 3.289 2.261 3.984 . 0 0 "[ . 1 . 2]" 1
91 1 43 ASN H 1 44 ILE H 3.000 . 4.300 3.148 2.185 4.183 . 0 0 "[ . 1 . 2]" 1
92 1 43 ASN HA 1 43 ASN HD21 4.000 . 5.000 3.990 2.065 4.571 . 0 0 "[ . 1 . 2]" 1
93 1 43 ASN HA 1 43 ASN HD22 4.000 . 5.000 4.843 3.694 5.242 0.242 15 0 "[ . 1 . 2]" 1
94 1 43 ASN HA 1 44 ILE H 3.000 . 4.300 2.767 2.381 3.384 . 0 0 "[ . 1 . 2]" 1
95 1 43 ASN HA 1 85 LYS HA 4.000 . 5.000 4.992 4.613 5.394 0.394 10 0 "[ . 1 . 2]" 1
96 1 43 ASN HA 1 85 LYS HB2 4.000 . 5.000 4.713 3.265 5.189 0.189 8 0 "[ . 1 . 2]" 1
97 1 43 ASN HA 1 85 LYS HB3 4.000 . 5.000 4.257 3.166 5.182 0.182 4 0 "[ . 1 . 2]" 1
98 1 43 ASN HA 1 85 LYS HG2 4.000 . 5.000 3.894 2.288 5.114 0.114 4 0 "[ . 1 . 2]" 1
99 1 43 ASN HA 1 85 LYS HG3 4.000 . 5.000 4.283 2.492 5.180 0.180 6 0 "[ . 1 . 2]" 1
100 1 43 ASN HA 1 86 ASP H 4.000 . 5.000 4.868 3.811 5.226 0.226 7 0 "[ . 1 . 2]" 1
101 1 43 ASN HB2 1 43 ASN HD22 4.000 . 5.000 3.727 3.397 4.087 . 0 0 "[ . 1 . 2]" 1
102 1 43 ASN HB2 1 86 ASP H 3.000 . 4.300 3.462 2.630 4.583 0.283 3 0 "[ . 1 . 2]" 1
103 1 43 ASN HB3 1 43 ASN HD22 4.000 . 5.000 3.670 3.397 4.091 . 0 0 "[ . 1 . 2]" 1
104 1 43 ASN HB3 1 86 ASP H 3.000 . 4.300 3.489 2.706 4.581 0.281 7 0 "[ . 1 . 2]" 1
105 1 43 ASN HD22 1 86 ASP H 4.000 . 5.000 4.763 1.796 5.314 0.314 4 0 "[ . 1 . 2]" 1
106 1 44 ILE H 1 45 ALA H 4.000 . 5.000 4.433 4.257 4.537 . 0 0 "[ . 1 . 2]" 1
107 1 44 ILE H 1 87 THR H 4.000 . 5.000 4.342 3.919 4.740 . 0 0 "[ . 1 . 2]" 1
108 1 44 ILE H 1 87 THR MG 4.000 . 5.000 4.861 4.439 5.068 0.068 7 0 "[ . 1 . 2]" 1
109 1 44 ILE HA 1 45 ALA H 2.500 . 2.900 2.171 2.110 2.259 . 0 0 "[ . 1 . 2]" 1
110 1 44 ILE HA 1 87 THR H 4.000 . 5.000 2.783 1.976 3.387 . 0 0 "[ . 1 . 2]" 1
111 1 44 ILE HA 1 87 THR HB 4.000 . 5.000 3.171 1.774 5.077 0.077 10 0 "[ . 1 . 2]" 1
112 1 44 ILE HA 1 87 THR MG 4.000 . 5.000 3.226 2.505 3.726 . 0 0 "[ . 1 . 2]" 1
113 1 44 ILE HB 1 45 ALA H 4.000 . 5.000 3.857 2.655 4.340 . 0 0 "[ . 1 . 2]" 1
114 1 44 ILE MD 1 45 ALA H 4.000 . 5.000 3.488 1.929 4.672 . 0 0 "[ . 1 . 2]" 1
115 1 44 ILE MD 1 45 ALA HA 4.000 . 5.000 4.418 2.497 5.146 0.146 7 0 "[ . 1 . 2]" 1
116 1 44 ILE MD 1 87 THR HB 4.000 . 5.000 4.209 3.179 5.239 0.239 7 0 "[ . 1 . 2]" 1
117 1 44 ILE MD 1 87 THR MG 4.000 . 5.000 3.679 2.380 5.013 0.013 7 0 "[ . 1 . 2]" 1
118 1 44 ILE MG 1 45 ALA H 4.000 . 5.000 3.675 2.456 4.253 . 0 0 "[ . 1 . 2]" 1
119 1 44 ILE MG 1 45 ALA HA 4.000 . 5.000 4.006 2.987 5.314 0.314 13 0 "[ . 1 . 2]" 1
120 1 44 ILE MG 1 87 THR MG 4.000 . 5.000 4.178 1.805 5.069 0.069 2 0 "[ . 1 . 2]" 1
121 1 45 ALA H 1 45 ALA HA 3.000 . 4.300 2.872 2.850 2.882 . 0 0 "[ . 1 . 2]" 1
122 1 45 ALA H 1 87 THR H 3.000 . 4.300 3.910 3.292 4.190 . 0 0 "[ . 1 . 2]" 1
123 1 45 ALA H 1 88 LEU HA 2.500 . 2.900 2.799 2.329 2.994 0.094 16 0 "[ . 1 . 2]" 1
124 1 45 ALA H 1 89 VAL H 3.000 . 4.300 3.795 3.373 4.115 . 0 0 "[ . 1 . 2]" 1
125 1 45 ALA HA 1 46 ILE H 2.500 . 2.900 2.248 2.132 2.362 . 0 0 "[ . 1 . 2]" 1
126 1 45 ALA MB 1 46 ILE H 3.000 . 4.300 2.892 2.655 3.207 . 0 0 "[ . 1 . 2]" 1
127 1 45 ALA MB 1 63 SER H 4.000 . 5.000 5.071 4.728 5.158 0.158 18 0 "[ . 1 . 2]" 1
128 1 45 ALA MB 1 89 VAL H 4.000 . 5.000 4.511 4.218 4.784 . 0 0 "[ . 1 . 2]" 1
129 1 46 ILE H 1 63 SER HA 4.000 . 5.000 3.233 2.057 4.512 . 0 0 "[ . 1 . 2]" 1
130 1 46 ILE H 1 64 LEU H 4.000 . 5.000 3.944 2.430 4.634 . 0 0 "[ . 1 . 2]" 1
131 1 46 ILE HA 1 47 ILE H 2.500 . 2.900 2.168 2.106 2.220 . 0 0 "[ . 1 . 2]" 1
132 1 46 ILE HB 1 63 SER H 4.000 . 5.000 4.085 3.020 5.060 0.060 14 0 "[ . 1 . 2]" 1
133 1 46 ILE HB 1 89 VAL H 4.000 . 5.000 5.060 4.278 5.309 0.309 7 0 "[ . 1 . 2]" 1
134 1 46 ILE MD 1 63 SER H 4.000 . 5.000 4.335 2.670 5.134 0.134 14 0 "[ . 1 . 2]" 1
135 1 46 ILE MD 1 89 VAL H 4.000 . 5.000 4.696 3.310 5.080 0.080 14 0 "[ . 1 . 2]" 1
136 1 46 ILE QG 1 89 VAL H 4.000 . 5.000 3.462 3.037 5.004 0.004 9 0 "[ . 1 . 2]" 1
137 1 46 ILE MG 1 63 SER H 4.000 . 5.000 4.724 2.345 5.111 0.111 6 0 "[ . 1 . 2]" 1
138 1 46 ILE MG 1 89 VAL H 4.000 . 5.000 4.034 3.056 5.147 0.147 15 0 "[ . 1 . 2]" 1
139 1 47 ILE H 1 89 VAL H 3.000 . 4.300 3.250 3.069 3.600 . 0 0 "[ . 1 . 2]" 1
140 1 47 ILE H 1 90 PHE HA 4.000 . 5.000 2.612 2.269 2.992 . 0 0 "[ . 1 . 2]" 1
141 1 47 ILE H 1 91 HIS H 3.000 . 4.300 4.414 4.204 4.595 0.295 7 0 "[ . 1 . 2]" 1
142 1 47 ILE HA 1 48 ASP H 2.500 . 2.900 2.183 2.111 2.248 . 0 0 "[ . 1 . 2]" 1
143 1 47 ILE HA 1 64 LEU H 4.000 . 5.000 3.259 2.723 4.281 . 0 0 "[ . 1 . 2]" 1
144 1 47 ILE MD 1 48 ASP H 4.000 . 5.000 4.088 2.231 4.999 . 0 0 "[ . 1 . 2]" 1
145 1 47 ILE QG 1 48 ASP H 4.000 . 5.000 3.527 1.985 4.458 . 0 0 "[ . 1 . 2]" 1
146 1 47 ILE MG 1 48 ASP H 4.000 . 5.000 3.214 2.237 4.023 . 0 0 "[ . 1 . 2]" 1
147 1 48 ASP H 1 49 VAL H 4.000 . 5.000 4.261 4.096 4.533 . 0 0 "[ . 1 . 2]" 1
148 1 48 ASP H 1 65 HIS HA 3.000 . 4.300 2.973 1.962 4.034 . 0 0 "[ . 1 . 2]" 1
149 1 48 ASP HA 1 49 VAL H 2.500 . 2.900 2.204 2.135 2.461 . 0 0 "[ . 1 . 2]" 1
150 1 48 ASP HA 1 91 HIS H 3.000 . 4.300 3.090 2.657 3.544 . 0 0 "[ . 1 . 2]" 1
151 1 49 VAL H 1 50 ARG H 4.000 . 5.000 4.239 3.073 4.630 . 0 0 "[ . 1 . 2]" 1
152 1 49 VAL H 1 66 TYR HD1 4.000 . 5.000 4.829 3.901 5.220 0.220 11 0 "[ . 1 . 2]" 1
153 1 49 VAL H 1 91 HIS H 4.000 . 5.000 4.356 3.614 5.022 0.022 10 0 "[ . 1 . 2]" 1
154 1 49 VAL HA 1 50 ARG H 3.000 . 4.300 2.296 2.160 2.718 . 0 0 "[ . 1 . 2]" 1
155 1 49 VAL HA 1 66 TYR H 4.000 . 5.000 3.223 1.947 4.752 . 0 0 "[ . 1 . 2]" 1
156 1 49 VAL HA 1 67 ALA HA 4.000 . 5.000 3.807 2.500 5.032 0.032 7 0 "[ . 1 . 2]" 1
157 1 50 ARG H 1 51 ASP H 4.000 . 5.000 3.013 1.782 4.519 0.018 13 0 "[ . 1 . 2]" 1
158 1 50 ARG H 1 67 ALA HA 4.000 . 5.000 2.845 1.899 4.567 . 0 0 "[ . 1 . 2]" 1
159 1 50 ARG HA 1 51 ASP H 4.000 . 5.000 3.167 2.142 3.578 . 0 0 "[ . 1 . 2]" 1
160 1 50 ARG QB 1 51 ASP H 4.000 . 5.000 2.583 1.716 3.954 0.084 4 0 "[ . 1 . 2]" 1
161 1 50 ARG QD 1 51 ASP H 4.000 . 5.000 4.162 2.165 5.006 0.006 1 0 "[ . 1 . 2]" 1
162 1 50 ARG QG 1 51 ASP H 4.000 . 5.000 3.822 2.419 4.878 . 0 0 "[ . 1 . 2]" 1
163 1 51 ASP H 1 52 GLU H 4.000 . 5.000 3.342 1.866 4.650 . 0 0 "[ . 1 . 2]" 1
164 1 51 ASP H 1 53 GLU H 4.000 . 5.000 3.844 2.229 5.121 0.121 14 0 "[ . 1 . 2]" 1
165 1 51 ASP H 1 54 ARG H 4.000 . 5.000 4.613 2.780 5.142 0.142 5 0 "[ . 1 . 2]" 1
166 1 51 ASP H 1 67 ALA H 4.000 . 5.000 5.039 4.576 5.244 0.244 4 0 "[ . 1 . 2]" 1
167 1 51 ASP HA 1 53 GLU H 4.000 . 5.000 4.201 3.096 5.089 0.089 18 0 "[ . 1 . 2]" 1
168 1 51 ASP HA 1 67 ALA HA 3.000 . 4.300 3.456 2.019 4.369 0.069 5 0 "[ . 1 . 2]" 1
169 1 51 ASP HA 1 67 ALA MB 3.000 . 4.300 2.483 1.771 4.147 0.029 3 0 "[ . 1 . 2]" 1
170 1 51 ASP QB 1 67 ALA MB 4.000 . 5.000 3.052 1.860 4.975 . 0 0 "[ . 1 . 2]" 1
171 1 51 ASP HB2 1 53 GLU H 4.000 . 5.000 4.637 3.520 5.073 0.073 10 0 "[ . 1 . 2]" 1
172 1 51 ASP HB3 1 53 GLU H 4.000 . 5.000 4.167 2.520 5.192 0.192 5 0 "[ . 1 . 2]" 1
173 1 52 GLU H 1 53 GLU H 3.000 . 4.300 2.807 1.940 3.701 . 0 0 "[ . 1 . 2]" 1
174 1 52 GLU HA 1 53 GLU H 4.000 . 5.000 3.310 2.795 3.579 . 0 0 "[ . 1 . 2]" 1
175 1 52 GLU HA 1 54 ARG H 4.000 . 5.000 3.721 3.006 4.919 . 0 0 "[ . 1 . 2]" 1
176 1 53 GLU H 1 53 GLU HA 3.000 . 4.300 2.821 2.744 2.900 . 0 0 "[ . 1 . 2]" 1
177 1 53 GLU H 1 54 ARG H 2.500 . 2.900 2.633 2.367 2.868 . 0 0 "[ . 1 . 2]" 1
178 1 53 GLU HA 1 56 TYR H 4.000 . 5.000 3.560 2.689 4.202 . 0 0 "[ . 1 . 2]" 1
179 1 53 GLU HA 1 57 ASP H 3.000 . 4.300 4.039 2.879 4.417 0.117 11 0 "[ . 1 . 2]" 1
180 1 54 ARG H 1 55 ASN H 2.500 . 2.900 2.517 2.357 2.775 . 0 0 "[ . 1 . 2]" 1
181 1 54 ARG H 1 55 ASN HA 4.000 . 5.000 5.080 4.909 5.312 0.312 4 0 "[ . 1 . 2]" 1
182 1 54 ARG H 1 55 ASN QB 4.000 . 5.000 4.374 4.055 5.012 0.012 14 0 "[ . 1 . 2]" 1
183 1 54 ARG H 1 56 TYR H 4.000 . 5.000 4.419 3.833 4.845 . 0 0 "[ . 1 . 2]" 1
184 1 54 ARG HA 1 55 ASN H 4.000 . 5.000 3.438 3.362 3.554 . 0 0 "[ . 1 . 2]" 1
185 1 55 ASN H 1 55 ASN HA 2.500 . 2.900 2.856 2.775 2.889 . 0 0 "[ . 1 . 2]" 1
186 1 55 ASN H 1 56 TYR H 2.500 . 2.900 2.567 2.284 2.845 . 0 0 "[ . 1 . 2]" 1
187 1 55 ASN H 1 56 TYR QB 4.000 . 5.000 4.697 4.184 5.090 0.090 12 0 "[ . 1 . 2]" 1
188 1 55 ASN H 1 56 TYR QD 4.000 . 5.000 3.805 3.242 4.583 . 0 0 "[ . 1 . 2]" 1
189 1 55 ASN H 1 56 TYR QE 4.000 . 5.000 4.967 4.515 5.099 0.099 14 0 "[ . 1 . 2]" 1
190 1 55 ASN H 1 57 ASP H 3.000 . 4.300 3.877 3.493 4.338 0.038 14 0 "[ . 1 . 2]" 1
191 1 55 ASN HA 1 56 TYR H 3.000 . 4.300 3.542 3.403 3.592 . 0 0 "[ . 1 . 2]" 1
192 1 55 ASN HA 1 57 ASP H 4.000 . 5.000 4.544 3.724 5.079 0.079 6 0 "[ . 1 . 2]" 1
193 1 55 ASN HB2 1 56 TYR H 3.000 . 4.300 3.150 2.473 3.925 . 0 0 "[ . 1 . 2]" 1
194 1 55 ASN HB3 1 56 TYR H 3.000 . 4.300 3.044 2.290 4.393 0.093 14 0 "[ . 1 . 2]" 1
195 1 56 TYR H 1 56 TYR QB 3.000 . 4.300 2.516 2.279 2.795 . 0 0 "[ . 1 . 2]" 1
196 1 56 TYR H 1 56 TYR QD 4.000 . 5.000 2.245 1.913 2.928 . 0 0 "[ . 1 . 2]" 1
197 1 56 TYR H 1 56 TYR QE 4.000 . 5.000 4.119 3.824 4.475 . 0 0 "[ . 1 . 2]" 1
198 1 56 TYR H 1 57 ASP H 3.000 . 4.300 2.537 2.296 2.863 . 0 0 "[ . 1 . 2]" 1
199 1 56 TYR H 1 58 GLY H 4.000 . 5.000 4.596 4.070 5.014 0.014 7 0 "[ . 1 . 2]" 1
200 1 56 TYR HA 1 57 ASP H 3.000 . 4.300 3.502 3.377 3.574 . 0 0 "[ . 1 . 2]" 1
201 1 56 TYR HA 1 58 GLY H 3.000 . 4.300 4.116 3.514 4.361 0.061 20 0 "[ . 1 . 2]" 1
202 1 56 TYR HB2 1 57 ASP H 3.000 . 4.300 3.000 2.229 4.266 . 0 0 "[ . 1 . 2]" 1
203 1 56 TYR HB3 1 57 ASP H 3.000 . 4.300 3.802 3.409 4.198 . 0 0 "[ . 1 . 2]" 1
204 1 56 TYR QD 1 57 ASP H 3.000 . 4.300 3.648 2.060 4.329 0.029 20 0 "[ . 1 . 2]" 1
205 1 57 ASP H 1 57 ASP QB 3.000 . 4.300 2.926 2.177 3.510 . 0 0 "[ . 1 . 2]" 1
206 1 57 ASP H 1 58 GLY H 2.500 . 2.900 2.838 2.568 3.078 0.178 9 0 "[ . 1 . 2]" 1
207 1 57 ASP HA 1 58 GLY H 3.000 . 4.300 3.160 2.719 3.551 . 0 0 "[ . 1 . 2]" 1
208 1 57 ASP QB 1 58 GLY H 4.000 . 5.000 3.574 2.621 4.040 . 0 0 "[ . 1 . 2]" 1
209 1 58 GLY H 1 59 HIS H 4.000 . 5.000 4.400 3.661 4.700 . 0 0 "[ . 1 . 2]" 1
210 1 58 GLY HA2 1 59 HIS H 3.000 . 4.300 2.621 2.162 3.475 . 0 0 "[ . 1 . 2]" 1
211 1 58 GLY HA3 1 59 HIS H 3.000 . 4.300 2.732 2.148 3.470 . 0 0 "[ . 1 . 2]" 1
212 1 59 HIS H 1 139 VAL HB 4.000 . 5.000 4.114 2.815 5.089 0.089 8 0 "[ . 1 . 2]" 1
213 1 59 HIS H 1 139 VAL MG1 4.000 . 5.000 4.345 1.805 5.228 0.228 18 0 "[ . 1 . 2]" 1
214 1 59 HIS H 1 139 VAL MG2 4.000 . 5.000 2.875 1.904 4.878 . 0 0 "[ . 1 . 2]" 1
215 1 59 HIS H 1 140 CYS H 3.000 . 4.300 4.223 3.317 4.683 0.383 10 0 "[ . 1 . 2]" 1
216 1 59 HIS HA 1 60 ILE H 4.000 . 5.000 2.802 2.170 3.577 . 0 0 "[ . 1 . 2]" 1
217 1 59 HIS QB 1 60 ILE H 4.000 . 5.000 3.205 1.796 3.987 0.004 17 0 "[ . 1 . 2]" 1
218 1 60 ILE HA 1 61 ALA H 3.000 . 4.300 2.765 2.146 3.539 . 0 0 "[ . 1 . 2]" 1
219 1 60 ILE HA 1 140 CYS H 4.000 . 5.000 4.081 2.008 5.307 0.307 17 0 "[ . 1 . 2]" 1
220 1 61 ALA H 1 61 ALA HA 2.500 . 2.900 2.898 2.863 2.926 0.026 12 0 "[ . 1 . 2]" 1
221 1 61 ALA H 1 61 ALA MB 2.500 . 2.900 2.400 1.946 2.666 . 0 0 "[ . 1 . 2]" 1
222 1 61 ALA H 1 62 GLY H 4.000 . 5.000 4.357 4.127 4.539 . 0 0 "[ . 1 . 2]" 1
223 1 61 ALA H 1 140 CYS H 4.000 . 5.000 5.195 4.687 5.390 0.390 20 0 "[ . 1 . 2]" 1
224 1 61 ALA HA 1 62 GLY H 2.500 . 2.900 2.197 2.103 2.286 . 0 0 "[ . 1 . 2]" 1
225 1 61 ALA HA 1 151 CYS H 3.000 . 4.300 4.107 3.520 4.739 0.439 14 0 "[ . 1 . 2]" 1
226 1 61 ALA MB 1 62 GLY H 3.000 . 4.300 3.010 2.772 3.291 . 0 0 "[ . 1 . 2]" 1
227 1 62 GLY H 1 62 GLY HA2 3.000 . 4.300 2.721 2.281 2.945 . 0 0 "[ . 1 . 2]" 1
228 1 62 GLY H 1 62 GLY HA3 3.000 . 4.300 2.591 2.319 2.950 . 0 0 "[ . 1 . 2]" 1
229 1 62 GLY H 1 63 SER H 3.000 . 4.300 3.385 1.895 4.483 0.183 1 0 "[ . 1 . 2]" 1
230 1 62 GLY H 1 149 GLY H 4.000 . 5.000 4.488 2.257 5.254 0.254 20 0 "[ . 1 . 2]" 1
231 1 62 GLY H 1 149 GLY QA 3.000 . 4.300 3.794 1.771 4.589 0.289 12 0 "[ . 1 . 2]" 1
232 1 62 GLY H 1 150 ASP QB 4.000 . 5.000 4.170 1.894 5.275 0.275 12 0 "[ . 1 . 2]" 1
233 1 62 GLY QA 1 63 SER H 3.000 . 4.300 2.359 2.076 2.932 . 0 0 "[ . 1 . 2]" 1
234 1 62 GLY HA2 1 149 GLY H 4.000 . 5.000 3.860 2.591 5.288 0.288 15 0 "[ . 1 . 2]" 1
235 1 62 GLY HA3 1 149 GLY H 4.000 . 5.000 4.704 3.604 5.114 0.114 14 0 "[ . 1 . 2]" 1
236 1 63 SER HA 1 64 LEU H 3.000 . 4.300 2.731 2.139 3.573 . 0 0 "[ . 1 . 2]" 1
237 1 63 SER QB 1 64 LEU H 3.000 . 4.300 2.718 1.795 3.900 0.005 5 0 "[ . 1 . 2]" 1
238 1 64 LEU H 1 64 LEU HA 2.500 . 2.900 2.917 2.839 2.943 0.043 20 0 "[ . 1 . 2]" 1
239 1 64 LEU HA 1 65 HIS H 3.000 . 4.300 2.159 2.088 2.282 . 0 0 "[ . 1 . 2]" 1
240 1 64 LEU HB2 1 65 HIS H 3.000 . 4.300 4.150 3.452 4.377 0.077 18 0 "[ . 1 . 2]" 1
241 1 64 LEU HB3 1 65 HIS H 3.000 . 4.300 3.593 2.650 4.312 0.012 9 0 "[ . 1 . 2]" 1
242 1 65 HIS H 1 65 HIS HA 3.000 . 4.300 2.935 2.906 2.950 . 0 0 "[ . 1 . 2]" 1
243 1 65 HIS HA 1 66 TYR H 3.000 . 4.300 2.230 2.163 2.281 . 0 0 "[ . 1 . 2]" 1
244 1 65 HIS HB2 1 66 TYR H 3.000 . 4.000 3.459 2.877 4.128 0.128 12 0 "[ . 1 . 2]" 1
245 1 65 HIS HB3 1 66 TYR H 3.000 . 4.300 3.735 2.847 4.346 0.046 6 0 "[ . 1 . 2]" 1
246 1 66 TYR H 1 66 TYR HD1 3.000 . 4.000 2.525 1.962 2.863 . 0 0 "[ . 1 . 2]" 1
247 1 66 TYR H 1 66 TYR HE1 4.000 . 5.000 4.735 4.267 5.164 0.164 4 0 "[ . 1 . 2]" 1
248 1 66 TYR H 1 67 ALA H 4.000 . 5.000 4.368 4.206 4.506 . 0 0 "[ . 1 . 2]" 1
249 1 66 TYR HA 1 67 ALA H 4.000 . 5.000 2.573 2.258 3.017 . 0 0 "[ . 1 . 2]" 1
250 1 66 TYR QB 1 67 ALA H 4.000 . 5.000 2.413 1.821 3.178 . 0 0 "[ . 1 . 2]" 1
251 1 66 TYR HE2 1 67 ALA H 4.000 . 5.000 4.919 4.365 5.236 0.236 4 0 "[ . 1 . 2]" 1
252 1 66 TYR HE2 1 74 LYS H 4.000 . 5.000 4.716 3.030 5.265 0.265 4 0 "[ . 1 . 2]" 1
253 1 66 TYR HE2 1 75 ILE MD 4.000 . 5.000 4.059 2.971 5.023 0.023 15 0 "[ . 1 . 2]" 1
254 1 67 ALA H 1 67 ALA HA 3.000 . 4.300 2.916 2.812 2.953 . 0 0 "[ . 1 . 2]" 1
255 1 67 ALA H 1 67 ALA MB 3.000 . 4.300 2.367 2.045 2.789 . 0 0 "[ . 1 . 2]" 1
256 1 67 ALA H 1 68 SER H 4.000 . 5.000 4.066 2.131 4.513 . 0 0 "[ . 1 . 2]" 1
257 1 67 ALA HA 1 68 SER H 3.000 . 4.300 2.868 2.596 3.529 . 0 0 "[ . 1 . 2]" 1
258 1 67 ALA MB 1 69 GLY H 3.000 . 4.300 2.486 1.975 4.740 0.440 17 0 "[ . 1 . 2]" 1
259 1 67 ALA MB 1 71 PHE H 4.000 . 5.000 5.091 4.387 5.422 0.422 5 0 "[ . 1 . 2]" 1
260 1 68 SER H 1 69 GLY H 4.000 . 5.000 2.411 1.748 4.113 0.052 10 0 "[ . 1 . 2]" 1
261 1 68 SER HA 1 69 GLY H 2.500 . 2.900 2.985 2.466 3.386 0.486 12 0 "[ . 1 . 2]" 1
262 1 68 SER HA 1 71 PHE H 2.500 . 2.900 2.986 2.712 3.146 0.246 12 0 "[ . 1 . 2]" 1
263 1 69 GLY H 1 69 GLY HA2 2.500 . 2.900 2.800 2.299 2.942 0.042 8 0 "[ . 1 . 2]" 1
264 1 69 GLY H 1 69 GLY HA3 2.500 . 2.900 2.399 2.302 2.801 . 0 0 "[ . 1 . 2]" 1
265 1 69 GLY H 1 70 SER H 2.500 . 2.900 2.453 2.120 3.000 0.100 17 0 "[ . 1 . 2]" 1
266 1 69 GLY H 1 71 PHE H 4.000 . 5.000 3.648 2.899 4.146 . 0 0 "[ . 1 . 2]" 1
267 1 69 GLY H 1 71 PHE QD 4.000 . 5.000 4.172 1.984 5.019 0.019 5 0 "[ . 1 . 2]" 1
268 1 69 GLY QA 1 70 SER H 2.500 . 2.900 2.775 2.557 2.862 . 0 0 "[ . 1 . 2]" 1
269 1 70 SER H 1 70 SER HA 2.500 . 2.900 2.844 2.335 2.937 0.037 1 0 "[ . 1 . 2]" 1
270 1 70 SER H 1 71 PHE H 2.500 . 2.900 2.122 1.786 2.444 0.014 17 0 "[ . 1 . 2]" 1
271 1 70 SER HA 1 71 PHE H 3.000 . 4.300 3.231 2.784 3.576 . 0 0 "[ . 1 . 2]" 1
272 1 70 SER HA 1 72 ASP H 3.000 . 4.300 3.436 2.958 4.648 0.348 16 0 "[ . 1 . 2]" 1
273 1 70 SER HA 1 73 ASP H 4.000 . 5.000 4.307 2.857 5.064 0.064 6 0 "[ . 1 . 2]" 1
274 1 70 SER HA 1 73 ASP QB 3.000 . 4.300 3.888 2.361 4.483 0.183 10 0 "[ . 1 . 2]" 1
275 1 70 SER QB 1 72 ASP H 3.000 . 4.300 3.473 2.099 4.395 0.095 13 0 "[ . 1 . 2]" 1
276 1 70 SER QB 1 73 ASP H 4.000 . 5.000 3.380 1.928 5.053 0.053 14 0 "[ . 1 . 2]" 1
277 1 70 SER HB3 1 71 PHE H 3.000 . 4.300 3.945 2.436 4.394 0.094 8 0 "[ . 1 . 2]" 1
278 1 70 SER HB3 1 73 ASP QB 3.000 . 4.300 3.000 1.964 4.436 0.136 8 0 "[ . 1 . 2]" 1
279 1 71 PHE H 1 71 PHE HA 2.500 . 2.900 2.563 2.243 2.890 . 0 0 "[ . 1 . 2]" 1
280 1 71 PHE H 1 71 PHE HB2 3.000 . 4.300 3.449 2.166 4.024 . 0 0 "[ . 1 . 2]" 1
281 1 71 PHE H 1 71 PHE HB3 3.000 . 4.300 3.213 2.342 4.160 . 0 0 "[ . 1 . 2]" 1
282 1 71 PHE H 1 72 ASP H 2.500 . 2.900 2.679 2.404 2.932 0.032 6 0 "[ . 1 . 2]" 1
283 1 71 PHE H 1 72 ASP HA 4.000 . 5.000 5.138 4.711 5.296 0.296 7 0 "[ . 1 . 2]" 1
284 1 71 PHE H 1 72 ASP QB 4.000 . 5.000 4.819 4.339 5.178 0.178 7 0 "[ . 1 . 2]" 1
285 1 71 PHE H 1 108 ASN QD 4.000 . 5.000 4.978 4.430 5.189 0.189 18 0 "[ . 1 . 2]" 1
286 1 71 PHE HA 1 72 ASP H 3.000 . 4.300 3.265 2.732 3.444 . 0 0 "[ . 1 . 2]" 1
287 1 71 PHE HA 1 74 LYS H 3.000 . 4.300 4.060 3.022 4.780 0.480 16 0 "[ . 1 . 2]" 1
288 1 71 PHE HA 1 108 ASN QD 4.000 . 5.000 4.063 2.682 5.251 0.251 8 0 "[ . 1 . 2]" 1
289 1 71 PHE HB2 1 72 ASP H 3.000 . 4.300 3.883 3.085 4.403 0.103 11 0 "[ . 1 . 2]" 1
290 1 71 PHE HB2 1 108 ASN QD 4.000 . 5.000 3.366 2.223 5.073 0.073 4 0 "[ . 1 . 2]" 1
291 1 71 PHE HB3 1 72 ASP H 3.000 . 4.300 4.167 3.573 4.519 0.219 18 0 "[ . 1 . 2]" 1
292 1 71 PHE HB3 1 108 ASN QD 4.000 . 5.000 3.915 2.312 4.826 . 0 0 "[ . 1 . 2]" 1
293 1 71 PHE QD 1 72 ASP H 3.000 . 4.300 3.655 1.773 4.695 0.395 4 0 "[ . 1 . 2]" 1
294 1 72 ASP H 1 72 ASP HA 2.500 . 2.900 2.871 2.321 2.930 0.030 10 0 "[ . 1 . 2]" 1
295 1 72 ASP H 1 73 ASP H 2.500 . 2.900 2.284 1.776 2.928 0.028 7 0 "[ . 1 . 2]" 1
296 1 72 ASP H 1 74 LYS H 4.000 . 5.000 3.976 2.892 4.772 . 0 0 "[ . 1 . 2]" 1
297 1 72 ASP H 1 108 ASN QD 4.000 . 5.000 3.716 2.980 4.396 . 0 0 "[ . 1 . 2]" 1
298 1 72 ASP HA 1 73 ASP H 3.000 . 4.300 3.144 2.862 3.508 . 0 0 "[ . 1 . 2]" 1
299 1 72 ASP HA 1 75 ILE H 3.000 . 4.300 3.835 3.196 4.310 0.010 7 0 "[ . 1 . 2]" 1
300 1 72 ASP HA 1 75 ILE HB 4.000 . 5.000 4.012 2.388 5.069 0.069 3 0 "[ . 1 . 2]" 1
301 1 72 ASP HA 1 75 ILE MD 4.000 . 5.000 2.638 1.850 5.075 0.075 14 0 "[ . 1 . 2]" 1
302 1 72 ASP HA 1 75 ILE HG12 4.000 . 5.000 3.901 2.006 5.084 0.084 8 0 "[ . 1 . 2]" 1
303 1 72 ASP HA 1 75 ILE HG13 4.000 . 5.000 3.778 2.038 5.118 0.118 6 0 "[ . 1 . 2]" 1
304 1 72 ASP HA 1 75 ILE MG 4.000 . 5.000 4.589 2.497 5.244 0.244 16 0 "[ . 1 . 2]" 1
305 1 72 ASP HA 1 108 ASN QD 4.000 . 5.000 2.545 1.767 4.450 0.033 4 0 "[ . 1 . 2]" 1
306 1 72 ASP QB 1 108 ASN QD 4.000 . 5.000 2.975 1.824 4.681 . 0 0 "[ . 1 . 2]" 1
307 1 73 ASP H 1 73 ASP HA 2.500 . 2.900 2.893 2.270 2.939 0.039 3 0 "[ . 1 . 2]" 1
308 1 73 ASP H 1 74 LYS H 2.500 . 2.900 2.117 1.832 2.672 . 0 0 "[ . 1 . 2]" 1
309 1 73 ASP H 1 74 LYS QD 4.000 . 5.000 4.517 3.177 5.030 0.030 11 0 "[ . 1 . 2]" 1
310 1 73 ASP H 1 74 LYS QG 4.000 . 5.000 3.945 2.838 5.059 0.059 1 0 "[ . 1 . 2]" 1
311 1 73 ASP H 1 75 ILE H 4.000 . 5.000 3.784 3.258 4.486 . 0 0 "[ . 1 . 2]" 1
312 1 73 ASP H 1 108 ASN QD 4.000 . 5.000 4.681 4.382 5.115 0.115 16 0 "[ . 1 . 2]" 1
313 1 73 ASP HA 1 74 LYS H 3.000 . 4.300 3.328 2.855 3.483 . 0 0 "[ . 1 . 2]" 1
314 1 73 ASP HA 1 75 ILE H 4.000 . 5.000 4.153 3.555 5.058 0.058 16 0 "[ . 1 . 2]" 1
315 1 73 ASP QB 1 74 LYS H 3.000 . 4.300 3.373 2.877 3.852 . 0 0 "[ . 1 . 2]" 1
316 1 74 LYS H 1 74 LYS HA 3.000 . 4.300 2.913 2.285 2.967 . 0 0 "[ . 1 . 2]" 1
317 1 74 LYS H 1 75 ILE H 2.500 . 2.900 2.182 1.812 2.729 . 0 0 "[ . 1 . 2]" 1
318 1 74 LYS H 1 108 ASN QD 4.000 . 5.000 5.117 5.015 5.219 0.219 1 0 "[ . 1 . 2]" 1
319 1 74 LYS HA 1 75 ILE H 3.000 . 4.300 3.284 2.553 3.544 . 0 0 "[ . 1 . 2]" 1
320 1 74 LYS HA 1 76 SER H 3.000 . 4.300 4.021 3.582 4.431 0.131 19 0 "[ . 1 . 2]" 1
321 1 74 LYS HA 1 77 HIS H 3.000 . 4.300 3.353 2.898 3.887 . 0 0 "[ . 1 . 2]" 1
322 1 75 ILE H 1 75 ILE HA 2.500 . 2.900 2.839 2.735 2.931 0.031 10 0 "[ . 1 . 2]" 1
323 1 75 ILE H 1 76 SER H 2.500 . 2.900 2.545 2.133 3.098 0.198 16 0 "[ . 1 . 2]" 1
324 1 75 ILE H 1 77 HIS H 4.000 . 5.000 3.698 3.227 4.333 . 0 0 "[ . 1 . 2]" 1
325 1 75 ILE H 1 78 LEU H 4.000 . 5.000 4.692 4.009 5.025 0.025 17 0 "[ . 1 . 2]" 1
326 1 75 ILE HA 1 76 SER H 3.000 . 4.300 3.462 3.286 3.560 . 0 0 "[ . 1 . 2]" 1
327 1 75 ILE HA 1 78 LEU H 4.000 . 5.000 3.374 2.692 4.078 . 0 0 "[ . 1 . 2]" 1
328 1 75 ILE HA 1 78 LEU HB3 4.000 . 5.000 4.118 2.239 5.022 0.022 2 0 "[ . 1 . 2]" 1
329 1 75 ILE HB 1 76 SER H 3.000 . 4.300 2.937 2.150 3.646 . 0 0 "[ . 1 . 2]" 1
330 1 75 ILE MD 1 76 SER H 3.000 . 4.300 4.132 3.520 4.517 0.217 8 0 "[ . 1 . 2]" 1
331 1 75 ILE MD 1 109 TYR HA 4.000 . 5.000 3.708 2.041 5.334 0.334 13 0 "[ . 1 . 2]" 1
332 1 75 ILE MD 1 109 TYR HB2 3.000 . 4.300 2.547 1.798 4.394 0.094 17 0 "[ . 1 . 2]" 1
333 1 75 ILE MD 1 109 TYR HB3 3.000 . 4.300 3.493 2.236 4.388 0.088 17 0 "[ . 1 . 2]" 1
334 1 75 ILE MD 1 109 TYR HD2 4.000 . 5.000 2.594 1.909 4.256 . 0 0 "[ . 1 . 2]" 1
335 1 75 ILE MG 1 76 SER H 3.000 . 4.300 3.611 1.998 4.319 0.019 7 0 "[ . 1 . 2]" 1
336 1 75 ILE MG 1 106 LEU HA 3.000 . 4.300 3.696 1.844 4.727 0.427 3 0 "[ . 1 . 2]" 1
337 1 75 ILE MG 1 109 TYR HB2 4.000 . 5.000 3.084 1.815 4.209 . 0 0 "[ . 1 . 2]" 1
338 1 75 ILE MG 1 109 TYR HB3 4.000 . 5.000 2.989 2.324 3.521 . 0 0 "[ . 1 . 2]" 1
339 1 75 ILE MG 1 109 TYR QD 4.000 . 5.000 2.736 1.849 3.644 . 0 0 "[ . 1 . 2]" 1
340 1 75 ILE MG 1 109 TYR QE 4.000 . 5.000 3.650 2.685 5.013 0.013 13 0 "[ . 1 . 2]" 1
341 1 75 ILE MG 1 110 LEU HA 4.000 . 5.000 4.884 4.331 5.407 0.407 14 0 "[ . 1 . 2]" 1
342 1 76 SER H 1 76 SER HA 2.500 . 2.900 2.858 2.724 2.911 0.011 18 0 "[ . 1 . 2]" 1
343 1 76 SER H 1 77 HIS H 2.500 . 2.900 2.243 1.883 2.683 . 0 0 "[ . 1 . 2]" 1
344 1 76 SER H 1 109 TYR HE2 3.000 . 4.300 3.051 1.665 4.625 0.325 17 0 "[ . 1 . 2]" 1
345 1 76 SER HA 1 77 HIS H 2.500 . 2.900 3.274 3.194 3.352 0.452 8 0 "[ . 1 . 2]" 1
346 1 76 SER HA 1 79 VAL H 3.000 . 4.300 3.072 1.998 4.185 . 0 0 "[ . 1 . 2]" 1
347 1 77 HIS H 1 77 HIS HA 2.500 . 2.900 2.841 2.788 2.867 . 0 0 "[ . 1 . 2]" 1
348 1 77 HIS H 1 77 HIS HB2 2.500 . 2.900 2.306 2.013 2.667 . 0 0 "[ . 1 . 2]" 1
349 1 77 HIS H 1 77 HIS HB3 2.500 . 2.900 2.640 2.236 3.054 0.154 9 0 "[ . 1 . 2]" 1
350 1 77 HIS H 1 78 LEU H 2.500 . 2.900 2.451 2.214 2.643 . 0 0 "[ . 1 . 2]" 1
351 1 77 HIS H 1 109 TYR HE2 4.000 . 5.000 3.471 2.178 4.117 . 0 0 "[ . 1 . 2]" 1
352 1 77 HIS HA 1 77 HIS HD2 4.000 . 5.000 3.765 2.253 4.887 . 0 0 "[ . 1 . 2]" 1
353 1 77 HIS HA 1 78 LEU H 3.000 . 4.300 3.525 3.444 3.583 . 0 0 "[ . 1 . 2]" 1
354 1 77 HIS HA 1 80 GLN H 3.000 . 4.300 3.378 3.010 3.858 . 0 0 "[ . 1 . 2]" 1
355 1 77 HIS HA 1 80 GLN HB2 3.000 . 4.300 2.992 2.374 4.543 0.243 7 0 "[ . 1 . 2]" 1
356 1 77 HIS HA 1 80 GLN HB3 3.000 . 4.300 3.970 2.035 4.396 0.096 6 0 "[ . 1 . 2]" 1
357 1 77 HIS HA 1 80 GLN HG2 4.000 . 5.000 4.014 1.932 5.022 0.022 3 0 "[ . 1 . 2]" 1
358 1 77 HIS HA 1 80 GLN HG3 4.000 . 5.000 4.020 1.986 5.085 0.085 13 0 "[ . 1 . 2]" 1
359 1 77 HIS HB2 1 78 LEU H 3.000 . 4.300 3.528 3.019 3.890 . 0 0 "[ . 1 . 2]" 1
360 1 77 HIS HB2 1 109 TYR HE2 4.000 . 5.000 4.881 2.055 5.406 0.406 8 0 "[ . 1 . 2]" 1
361 1 77 HIS HB3 1 78 LEU H 3.000 . 4.300 2.510 2.179 2.673 . 0 0 "[ . 1 . 2]" 1
362 1 77 HIS HB3 1 109 TYR HE2 4.000 . 5.000 4.942 2.787 5.399 0.399 8 0 "[ . 1 . 2]" 1
363 1 78 LEU H 1 78 LEU HA 2.500 . 2.900 2.860 2.757 2.904 0.004 17 0 "[ . 1 . 2]" 1
364 1 78 LEU H 1 79 VAL H 3.000 . 4.300 2.348 2.140 2.745 . 0 0 "[ . 1 . 2]" 1
365 1 78 LEU H 1 79 VAL HB 4.000 . 5.000 4.210 4.017 4.587 . 0 0 "[ . 1 . 2]" 1
366 1 78 LEU H 1 79 VAL MG1 4.000 . 5.000 5.200 5.036 5.458 0.458 16 0 "[ . 1 . 2]" 1
367 1 78 LEU H 1 79 VAL MG2 4.000 . 5.000 4.716 3.628 5.235 0.235 14 0 "[ . 1 . 2]" 1
368 1 78 LEU H 1 80 GLN H 4.000 . 5.000 3.846 3.610 4.079 . 0 0 "[ . 1 . 2]" 1
369 1 78 LEU H 1 109 TYR HE2 4.000 . 5.000 4.004 2.162 5.084 0.084 10 0 "[ . 1 . 2]" 1
370 1 78 LEU HA 1 79 VAL H 4.000 . 5.000 3.468 3.329 3.507 . 0 0 "[ . 1 . 2]" 1
371 1 78 LEU HA 1 81 ASN H 4.000 . 5.000 3.359 2.803 4.571 . 0 0 "[ . 1 . 2]" 1
372 1 78 LEU HA 1 81 ASN HB2 4.000 . 5.000 3.244 2.438 5.064 0.064 8 0 "[ . 1 . 2]" 1
373 1 78 LEU HA 1 81 ASN HB3 4.000 . 5.000 4.200 3.108 5.142 0.142 14 0 "[ . 1 . 2]" 1
374 1 78 LEU HB2 1 79 VAL H 3.000 . 4.300 3.263 2.577 4.358 0.058 6 0 "[ . 1 . 2]" 1
375 1 79 VAL H 1 79 VAL HA 3.000 . 4.300 2.840 2.781 2.877 . 0 0 "[ . 1 . 2]" 1
376 1 79 VAL H 1 79 VAL HB 2.500 . 2.900 2.157 2.058 2.454 . 0 0 "[ . 1 . 2]" 1
377 1 79 VAL H 1 80 GLN H 2.500 . 2.900 2.491 2.345 2.663 . 0 0 "[ . 1 . 2]" 1
378 1 79 VAL H 1 81 ASN H 4.000 . 5.000 3.991 3.693 4.877 . 0 0 "[ . 1 . 2]" 1
379 1 79 VAL H 1 109 TYR HE2 4.000 . 5.000 4.247 2.080 5.441 0.441 4 0 "[ . 1 . 2]" 1
380 1 79 VAL HA 1 80 GLN H 4.000 . 5.000 3.503 3.475 3.556 . 0 0 "[ . 1 . 2]" 1
381 1 79 VAL MG2 1 109 TYR HD1 4.000 . 5.000 4.789 4.113 5.306 0.306 16 0 "[ . 1 . 2]" 1
382 1 79 VAL MG2 1 109 TYR HE1 4.000 . 5.000 3.994 2.370 5.443 0.443 17 0 "[ . 1 . 2]" 1
383 1 80 GLN H 1 80 GLN HA 2.500 . 2.900 2.848 2.796 2.936 0.036 19 0 "[ . 1 . 2]" 1
384 1 80 GLN H 1 80 GLN HB2 3.000 . 4.300 2.432 2.069 3.616 . 0 0 "[ . 1 . 2]" 1
385 1 80 GLN H 1 80 GLN HB3 3.000 . 4.300 3.263 2.303 3.587 . 0 0 "[ . 1 . 2]" 1
386 1 80 GLN H 1 81 ASN H 2.500 . 2.900 2.575 2.419 2.958 0.058 6 0 "[ . 1 . 2]" 1
387 1 80 GLN HA 1 81 ASN H 3.000 . 4.300 3.421 3.068 3.554 . 0 0 "[ . 1 . 2]" 1
388 1 80 GLN HA 1 81 ASN HD21 3.000 . 4.000 4.039 3.248 4.321 0.321 16 0 "[ . 1 . 2]" 1
389 1 80 GLN HB2 1 81 ASN H 3.000 . 4.300 3.331 1.929 4.313 0.013 16 0 "[ . 1 . 2]" 1
390 1 80 GLN HB2 1 81 ASN HD21 3.000 . 4.300 3.257 2.349 4.445 0.145 7 0 "[ . 1 . 2]" 1
391 1 80 GLN HB3 1 81 ASN H 3.000 . 4.300 3.638 2.767 4.309 0.009 19 0 "[ . 1 . 2]" 1
392 1 80 GLN HB3 1 81 ASN HD21 3.000 . 4.300 3.120 2.045 4.627 0.327 7 0 "[ . 1 . 2]" 1
393 1 80 GLN HG2 1 81 ASN HD21 4.000 . 5.000 4.726 2.976 5.087 0.087 10 0 "[ . 1 . 2]" 1
394 1 80 GLN HG3 1 81 ASN HD21 4.000 . 5.000 4.574 1.775 5.136 0.136 6 0 "[ . 1 . 2]" 1
395 1 81 ASN H 1 81 ASN HA 2.500 . 2.900 2.798 2.251 2.939 0.039 13 0 "[ . 1 . 2]" 1
396 1 81 ASN H 1 81 ASN QB 2.500 . 2.900 2.483 2.288 2.937 0.037 7 0 "[ . 1 . 2]" 1
397 1 81 ASN H 1 82 VAL H 2.500 . 2.900 2.744 2.216 3.036 0.136 17 0 "[ . 1 . 2]" 1
398 1 81 ASN H 1 83 LYS H 4.000 . 5.000 4.907 3.833 5.146 0.146 12 0 "[ . 1 . 2]" 1
399 1 81 ASN HA 1 82 VAL H 3.000 . 4.300 3.189 2.598 3.579 . 0 0 "[ . 1 . 2]" 1
400 1 82 VAL H 1 82 VAL HA 3.000 . 4.300 2.466 2.250 2.952 . 0 0 "[ . 1 . 2]" 1
401 1 82 VAL H 1 83 LYS H 2.500 . 2.900 2.872 2.136 3.058 0.158 8 0 "[ . 1 . 2]" 1
402 1 82 VAL HA 1 83 LYS H 3.000 . 4.300 3.101 2.471 3.566 . 0 0 "[ . 1 . 2]" 1
403 1 82 VAL MG1 1 83 LYS H 4.000 . 5.000 4.020 3.357 4.359 . 0 0 "[ . 1 . 2]" 1
404 1 83 LYS H 1 83 LYS HA 2.500 . 2.900 2.643 2.277 2.889 . 0 0 "[ . 1 . 2]" 1
405 1 83 LYS H 1 83 LYS QB 3.000 . 4.300 2.677 2.108 3.479 . 0 0 "[ . 1 . 2]" 1
406 1 83 LYS H 1 83 LYS QG 4.000 . 5.000 3.332 1.903 4.516 . 0 0 "[ . 1 . 2]" 1
407 1 83 LYS H 1 84 ASP H 2.500 . 2.900 2.835 2.436 3.016 0.116 2 0 "[ . 1 . 2]" 1
408 1 83 LYS HA 1 84 ASP H 3.000 . 4.300 2.986 2.268 3.543 . 0 0 "[ . 1 . 2]" 1
409 1 83 LYS HA 1 85 LYS H 3.000 . 4.300 4.216 3.429 4.517 0.217 18 0 "[ . 1 . 2]" 1
410 1 83 LYS HB3 1 84 ASP H 3.000 . 4.300 4.068 3.229 4.495 0.195 4 0 "[ . 1 . 2]" 1
411 1 84 ASP H 1 84 ASP HA 2.500 . 2.900 2.416 2.256 2.937 0.037 4 0 "[ . 1 . 2]" 1
412 1 84 ASP H 1 85 LYS H 3.000 . 4.300 3.314 2.001 3.858 . 0 0 "[ . 1 . 2]" 1
413 1 84 ASP HA 1 85 LYS H 3.000 . 4.300 3.405 2.677 3.582 . 0 0 "[ . 1 . 2]" 1
414 1 84 ASP HB2 1 85 LYS H 3.000 . 4.300 3.175 2.008 4.356 0.056 17 0 "[ . 1 . 2]" 1
415 1 84 ASP HB3 1 85 LYS H 3.000 . 4.300 3.133 1.968 4.358 0.058 17 0 "[ . 1 . 2]" 1
416 1 85 LYS H 1 85 LYS HA 3.000 . 4.300 2.803 2.288 2.949 . 0 0 "[ . 1 . 2]" 1
417 1 85 LYS H 1 86 ASP H 3.000 . 4.300 3.721 2.208 4.336 0.036 1 0 "[ . 1 . 2]" 1
418 1 85 LYS HA 1 86 ASP H 3.000 . 4.300 2.427 2.135 3.495 . 0 0 "[ . 1 . 2]" 1
419 1 85 LYS HB2 1 86 ASP H 3.000 . 4.300 4.223 2.787 4.602 0.302 6 0 "[ . 1 . 2]" 1
420 1 85 LYS HB3 1 86 ASP H 3.000 . 4.300 4.085 2.305 4.539 0.239 9 0 "[ . 1 . 2]" 1
421 1 86 ASP HA 1 86 ASP HB2 3.000 . 4.300 2.669 2.356 3.013 . 0 0 "[ . 1 . 2]" 1
422 1 86 ASP HA 1 86 ASP HB3 3.000 . 4.300 2.681 2.277 3.003 . 0 0 "[ . 1 . 2]" 1
423 1 86 ASP HA 1 119 ILE HA 4.000 . 5.000 4.952 4.441 5.163 0.163 10 0 "[ . 1 . 2]" 1
424 1 86 ASP HA 1 119 ILE MG 4.000 . 5.000 4.886 3.681 5.230 0.230 4 0 "[ . 1 . 2]" 1
425 1 86 ASP HA 1 120 LYS H 3.000 . 4.300 4.311 3.185 4.560 0.260 13 0 "[ . 1 . 2]" 1
426 1 86 ASP HB2 1 120 LYS H 3.000 . 4.300 3.986 2.631 4.434 0.134 3 0 "[ . 1 . 2]" 1
427 1 86 ASP HB3 1 120 LYS H 3.000 . 4.300 3.643 2.156 4.756 0.456 3 0 "[ . 1 . 2]" 1
428 1 87 THR HA 1 88 LEU H 2.500 . 2.900 2.247 2.203 2.294 . 0 0 "[ . 1 . 2]" 1
429 1 87 THR HA 1 121 ASN HA 4.000 . 5.000 4.661 4.231 5.006 0.006 18 0 "[ . 1 . 2]" 1
430 1 87 THR HA 1 121 ASN HB2 3.000 . 4.300 4.026 3.229 4.371 0.071 1 0 "[ . 1 . 2]" 1
431 1 87 THR HA 1 121 ASN HB3 3.000 . 4.300 4.200 3.668 4.713 0.413 11 0 "[ . 1 . 2]" 1
432 1 87 THR MG 1 121 ASN HA 4.000 . 5.000 4.569 3.784 5.151 0.151 11 0 "[ . 1 . 2]" 1
433 1 87 THR MG 1 121 ASN HB2 4.000 . 5.000 2.879 1.957 4.142 . 0 0 "[ . 1 . 2]" 1
434 1 87 THR MG 1 121 ASN HB3 4.000 . 5.000 3.017 2.008 4.452 . 0 0 "[ . 1 . 2]" 1
435 1 88 LEU H 1 121 ASN H 4.000 . 5.000 3.507 3.160 3.967 . 0 0 "[ . 1 . 2]" 1
436 1 88 LEU H 1 122 ILE HA 4.000 . 5.000 2.968 2.148 3.336 . 0 0 "[ . 1 . 2]" 1
437 1 88 LEU H 1 123 MET H 3.000 . 4.300 4.022 3.650 4.395 0.095 18 0 "[ . 1 . 2]" 1
438 1 88 LEU HA 1 89 VAL H 2.500 . 2.900 2.129 2.081 2.160 . 0 0 "[ . 1 . 2]" 1
439 1 89 VAL HA 1 90 PHE H 2.500 . 2.900 2.205 2.158 2.254 . 0 0 "[ . 1 . 2]" 1
440 1 89 VAL HA 1 123 MET H 3.000 . 4.300 2.566 2.038 3.051 . 0 0 "[ . 1 . 2]" 1
441 1 90 PHE H 1 91 HIS H 4.000 . 5.000 4.534 4.461 4.558 . 0 0 "[ . 1 . 2]" 1
442 1 90 PHE H 1 124 ILE HA 3.000 . 4.300 2.870 2.338 3.590 . 0 0 "[ . 1 . 2]" 1
443 1 90 PHE HA 1 91 HIS H 2.500 . 2.900 2.251 2.173 2.391 . 0 0 "[ . 1 . 2]" 1
444 1 90 PHE QD 1 91 HIS H 3.000 . 4.300 3.778 3.180 4.247 . 0 0 "[ . 1 . 2]" 1
445 1 90 PHE QD 1 102 CYS H 4.000 . 5.000 4.714 4.182 5.105 0.105 6 0 "[ . 1 . 2]" 1
446 1 90 PHE QD 1 102 CYS HB3 4.000 . 5.000 3.076 1.918 4.817 . 0 0 "[ . 1 . 2]" 1
447 1 90 PHE QD 1 103 ALA H 4.000 . 5.000 4.121 3.090 5.003 0.003 15 0 "[ . 1 . 2]" 1
448 1 90 PHE QD 1 103 ALA HA 4.000 . 5.000 4.417 3.050 5.097 0.097 18 0 "[ . 1 . 2]" 1
449 1 90 PHE QD 1 123 MET H 4.000 . 5.000 4.191 3.405 4.886 . 0 0 "[ . 1 . 2]" 1
450 1 91 HIS HA 1 92 SER H 3.000 . 4.300 3.383 2.489 3.577 . 0 0 "[ . 1 . 2]" 1
451 1 91 HIS HA 1 95 SER H 4.000 . 5.000 4.309 2.716 5.194 0.194 18 0 "[ . 1 . 2]" 1
452 1 91 HIS HB2 1 92 SER H 4.000 . 5.000 2.826 1.956 3.901 . 0 0 "[ . 1 . 2]" 1
453 1 91 HIS HB2 1 125 LEU H 4.000 . 5.000 3.472 2.503 5.243 0.243 18 0 "[ . 1 . 2]" 1
454 1 91 HIS HB3 1 92 SER H 4.000 . 5.000 2.115 1.578 3.745 0.222 19 0 "[ . 1 . 2]" 1
455 1 91 HIS HB3 1 125 LEU H 4.000 . 5.000 4.026 2.135 5.053 0.053 9 0 "[ . 1 . 2]" 1
456 1 92 SER H 1 95 SER H 4.000 . 5.000 4.851 3.949 5.138 0.138 5 0 "[ . 1 . 2]" 1
457 1 92 SER H 1 125 LEU HB2 4.000 . 5.000 4.509 2.472 5.132 0.132 18 0 "[ . 1 . 2]" 1
458 1 92 SER H 1 125 LEU HB3 4.000 . 5.000 4.402 3.217 5.043 0.043 5 0 "[ . 1 . 2]" 1
459 1 92 SER H 1 125 LEU MD1 4.000 . 5.000 3.323 1.852 5.074 0.074 11 0 "[ . 1 . 2]" 1
460 1 92 SER H 1 125 LEU MD2 4.000 . 5.000 2.639 1.789 5.068 0.068 9 0 "[ . 1 . 2]" 1
461 1 92 SER H 1 125 LEU HG 4.000 . 5.000 3.486 2.272 5.015 0.015 11 0 "[ . 1 . 2]" 1
462 1 92 SER H 1 128 GLY HA2 4.000 . 5.000 4.573 3.189 5.163 0.163 6 0 "[ . 1 . 2]" 1
463 1 92 SER H 1 128 GLY HA3 4.000 . 5.000 3.750 2.536 4.989 . 0 0 "[ . 1 . 2]" 1
464 1 94 LEU H 1 95 SER H 3.000 . 4.300 2.444 1.782 3.203 0.018 12 0 "[ . 1 . 2]" 1
465 1 94 LEU H 1 96 GLN H 3.000 . 4.300 4.264 2.845 4.790 0.490 15 0 "[ . 1 . 2]" 1
466 1 95 SER H 1 96 GLN H 4.000 . 5.000 2.841 1.714 3.922 0.086 19 0 "[ . 1 . 2]" 1
467 1 95 SER H 1 96 GLN QE 3.000 . 4.300 4.187 3.227 4.398 0.098 15 0 "[ . 1 . 2]" 1
468 1 95 SER H 1 97 VAL H 4.000 . 5.000 4.475 3.693 5.073 0.073 14 0 "[ . 1 . 2]" 1
469 1 95 SER H 1 99 GLY HA2 4.000 . 5.000 4.952 4.253 5.146 0.146 6 0 "[ . 1 . 2]" 1
470 1 95 SER H 1 99 GLY HA3 4.000 . 5.000 4.924 3.974 5.113 0.113 18 0 "[ . 1 . 2]" 1
471 1 95 SER HA 1 96 GLN H 3.000 . 4.300 3.064 2.383 3.533 . 0 0 "[ . 1 . 2]" 1
472 1 96 GLN H 1 97 VAL H 2.500 . 2.900 2.598 1.737 2.980 0.080 4 0 "[ . 1 . 2]" 1
473 1 96 GLN HA 1 97 VAL H 4.000 . 5.000 3.120 2.556 3.560 . 0 0 "[ . 1 . 2]" 1
474 1 96 GLN QB 1 97 VAL H 4.000 . 5.000 3.435 1.800 4.068 . 0 0 "[ . 1 . 2]" 1
475 1 96 GLN QG 1 97 VAL H 4.000 . 5.000 3.887 1.988 4.859 . 0 0 "[ . 1 . 2]" 1
476 1 97 VAL H 1 97 VAL HA 3.000 . 4.300 2.635 2.264 2.947 . 0 0 "[ . 1 . 2]" 1
477 1 97 VAL H 1 97 VAL HB 3.000 . 4.300 3.683 2.901 4.110 . 0 0 "[ . 1 . 2]" 1
478 1 97 VAL HA 1 98 ARG H 4.000 . 5.000 3.383 3.065 3.581 . 0 0 "[ . 1 . 2]" 1
479 1 97 VAL HB 1 98 ARG H 4.000 . 5.000 3.780 2.114 4.472 . 0 0 "[ . 1 . 2]" 1
480 1 97 VAL QG 1 98 ARG H 4.000 . 5.000 2.739 1.797 3.718 0.003 10 0 "[ . 1 . 2]" 1
481 1 98 ARG HA 1 101 THR H 2.500 . 2.900 3.054 3.004 3.116 0.216 3 0 "[ . 1 . 2]" 1
482 1 100 PRO HA 1 101 THR H 4.000 . 5.000 3.549 3.509 3.581 . 0 0 "[ . 1 . 2]" 1
483 1 100 PRO QB 1 101 THR H 4.000 . 5.000 2.817 2.527 3.210 . 0 0 "[ . 1 . 2]" 1
484 1 100 PRO QD 1 101 THR H 4.000 . 5.000 2.684 2.429 2.954 . 0 0 "[ . 1 . 2]" 1
485 1 100 PRO QG 1 101 THR H 4.000 . 5.000 3.279 2.233 3.891 . 0 0 "[ . 1 . 2]" 1
486 1 101 THR H 1 101 THR HA 2.500 . 2.900 2.825 2.807 2.858 . 0 0 "[ . 1 . 2]" 1
487 1 101 THR H 1 102 CYS H 2.500 . 2.900 2.592 2.453 2.706 . 0 0 "[ . 1 . 2]" 1
488 1 101 THR H 1 103 ALA H 4.000 . 5.000 4.034 3.765 4.236 . 0 0 "[ . 1 . 2]" 1
489 1 101 THR HA 1 102 CYS H 3.000 . 4.300 3.520 3.482 3.572 . 0 0 "[ . 1 . 2]" 1
490 1 101 THR HA 1 104 ARG H 3.000 . 4.300 3.083 2.913 3.286 . 0 0 "[ . 1 . 2]" 1
491 1 101 THR HA 1 104 ARG HB2 4.000 . 5.000 2.282 1.846 2.787 . 0 0 "[ . 1 . 2]" 1
492 1 101 THR HB 1 102 CYS H 2.500 . 2.900 2.677 2.393 2.895 . 0 0 "[ . 1 . 2]" 1
493 1 101 THR HB 1 104 ARG H 4.000 . 5.000 5.026 4.895 5.119 0.119 12 0 "[ . 1 . 2]" 1
494 1 101 THR MG 1 102 CYS H 3.000 . 4.300 3.877 3.558 4.164 . 0 0 "[ . 1 . 2]" 1
495 1 102 CYS H 1 102 CYS HA 3.000 . 4.300 2.815 2.795 2.837 . 0 0 "[ . 1 . 2]" 1
496 1 102 CYS H 1 103 ALA H 2.500 . 2.900 2.593 2.478 2.731 . 0 0 "[ . 1 . 2]" 1
497 1 102 CYS H 1 104 ARG H 4.000 . 5.000 3.769 3.623 3.877 . 0 0 "[ . 1 . 2]" 1
498 1 102 CYS HA 1 105 ARG H 3.000 . 4.300 3.273 3.136 3.728 . 0 0 "[ . 1 . 2]" 1
499 1 103 ALA H 1 103 ALA HA 2.500 . 2.900 2.835 2.817 2.858 . 0 0 "[ . 1 . 2]" 1
500 1 103 ALA H 1 103 ALA MB 3.000 . 4.300 2.121 2.056 2.248 . 0 0 "[ . 1 . 2]" 1
501 1 103 ALA H 1 104 ARG H 2.500 . 2.900 2.502 2.419 2.553 . 0 0 "[ . 1 . 2]" 1
502 1 103 ALA H 1 105 ARG H 4.000 . 5.000 3.971 3.863 4.368 . 0 0 "[ . 1 . 2]" 1
503 1 103 ALA HA 1 106 LEU H 2.500 . 2.900 2.995 2.933 3.041 0.141 1 0 "[ . 1 . 2]" 1
504 1 103 ALA HA 1 106 LEU HB2 3.000 . 4.300 2.655 2.147 4.308 0.008 3 0 "[ . 1 . 2]" 1
505 1 103 ALA HA 1 106 LEU HB3 3.000 . 4.300 3.537 2.508 4.316 0.016 18 0 "[ . 1 . 2]" 1
506 1 104 ARG H 1 105 ARG H 2.500 . 2.900 2.547 2.468 2.776 . 0 0 "[ . 1 . 2]" 1
507 1 104 ARG HA 1 105 ARG H 4.000 . 5.000 3.501 3.479 3.568 . 0 0 "[ . 1 . 2]" 1
508 1 104 ARG HA 1 107 VAL H 3.000 . 4.300 3.226 2.997 3.564 . 0 0 "[ . 1 . 2]" 1
509 1 104 ARG HA 1 107 VAL HB 3.000 . 4.300 2.787 2.045 3.199 . 0 0 "[ . 1 . 2]" 1
510 1 105 ARG H 1 106 LEU H 2.500 . 2.900 2.558 2.455 2.677 . 0 0 "[ . 1 . 2]" 1
511 1 105 ARG HA 1 106 LEU H 3.000 . 4.300 3.542 3.504 3.581 . 0 0 "[ . 1 . 2]" 1
512 1 105 ARG HA 1 108 ASN H 2.500 . 2.900 2.950 2.773 3.079 0.179 2 0 "[ . 1 . 2]" 1
513 1 105 ARG HA 1 108 ASN HB2 3.000 . 4.300 3.759 3.272 4.312 0.012 17 0 "[ . 1 . 2]" 1
514 1 105 ARG HA 1 108 ASN HB3 3.000 . 4.300 2.272 1.851 2.911 . 0 0 "[ . 1 . 2]" 1
515 1 106 LEU H 1 107 VAL H 2.500 . 2.900 2.531 2.460 2.618 . 0 0 "[ . 1 . 2]" 1
516 1 106 LEU HA 1 109 TYR H 3.000 . 4.300 3.354 2.832 3.908 . 0 0 "[ . 1 . 2]" 1
517 1 107 VAL H 1 108 ASN H 2.500 . 2.900 2.515 2.420 2.671 . 0 0 "[ . 1 . 2]" 1
518 1 107 VAL H 1 110 LEU H 4.000 . 5.000 4.860 4.602 5.063 0.063 8 0 "[ . 1 . 2]" 1
519 1 107 VAL HA 1 108 ASN H 4.000 . 5.000 3.522 3.496 3.574 . 0 0 "[ . 1 . 2]" 1
520 1 107 VAL HA 1 110 LEU H 3.000 . 4.300 3.444 2.972 3.845 . 0 0 "[ . 1 . 2]" 1
521 1 107 VAL HB 1 108 ASN H 2.500 . 2.900 2.739 2.685 2.843 . 0 0 "[ . 1 . 2]" 1
522 1 107 VAL MG2 1 108 ASN H 3.000 . 4.300 3.779 3.662 4.013 . 0 0 "[ . 1 . 2]" 1
523 1 108 ASN H 1 109 TYR H 2.500 . 2.900 2.683 2.432 2.891 . 0 0 "[ . 1 . 2]" 1
524 1 108 ASN HA 1 109 TYR H 3.000 . 4.300 3.520 3.426 3.595 . 0 0 "[ . 1 . 2]" 1
525 1 108 ASN HA 1 111 ASP HB2 2.500 . 2.900 2.925 2.640 2.971 0.071 2 0 "[ . 1 . 2]" 1
526 1 108 ASN HA 1 111 ASP HB3 2.500 . 2.900 2.711 1.994 2.963 0.063 4 0 "[ . 1 . 2]" 1
527 1 109 TYR H 1 110 LEU H 3.000 . 4.300 2.686 2.359 2.844 . 0 0 "[ . 1 . 2]" 1
528 1 109 TYR HA 1 110 LEU H 4.000 . 5.000 3.556 3.490 3.592 . 0 0 "[ . 1 . 2]" 1
529 1 109 TYR HA 1 112 GLU H 2.500 . 2.900 3.025 2.875 3.164 0.264 11 0 "[ . 1 . 2]" 1
530 1 109 TYR HB2 1 110 LEU H 3.000 . 4.300 3.632 2.186 3.922 . 0 0 "[ . 1 . 2]" 1
531 1 109 TYR HB3 1 110 LEU H 2.500 . 2.900 2.436 2.087 2.927 0.027 17 0 "[ . 1 . 2]" 1
532 1 109 TYR HD1 1 110 LEU H 4.000 . 5.000 3.353 2.369 4.611 . 0 0 "[ . 1 . 2]" 1
533 1 109 TYR HD1 1 111 ASP H 4.000 . 5.000 4.803 4.371 5.261 0.261 17 0 "[ . 1 . 2]" 1
534 1 110 LEU H 1 111 ASP H 2.500 . 2.900 2.624 2.547 2.689 . 0 0 "[ . 1 . 2]" 1
535 1 110 LEU HA 1 111 ASP H 3.000 . 4.300 3.470 3.445 3.502 . 0 0 "[ . 1 . 2]" 1
536 1 110 LEU HA 1 113 LYS H 3.000 . 4.300 3.759 3.361 4.330 0.030 4 0 "[ . 1 . 2]" 1
537 1 110 LEU HB2 1 111 ASP H 3.000 . 4.300 3.951 2.978 4.327 0.027 17 0 "[ . 1 . 2]" 1
538 1 110 LEU HB3 1 111 ASP H 3.000 . 4.300 3.253 2.621 4.175 . 0 0 "[ . 1 . 2]" 1
539 1 111 ASP H 1 112 GLU H 2.500 . 2.900 2.499 2.408 2.604 . 0 0 "[ . 1 . 2]" 1
540 1 111 ASP H 1 114 LYS H 4.000 . 5.000 4.730 4.168 5.092 0.092 13 0 "[ . 1 . 2]" 1
541 1 111 ASP HA 1 112 GLU H 4.000 . 5.000 3.512 3.477 3.569 . 0 0 "[ . 1 . 2]" 1
542 1 111 ASP HA 1 114 LYS H 4.000 . 5.000 4.550 3.560 5.218 0.218 8 0 "[ . 1 . 2]" 1
543 1 112 GLU H 1 112 GLU HA 2.500 . 2.900 2.852 2.791 2.926 0.026 10 0 "[ . 1 . 2]" 1
544 1 112 GLU H 1 113 LYS H 3.000 . 4.300 2.757 2.478 2.971 . 0 0 "[ . 1 . 2]" 1
545 1 112 GLU HA 1 113 LYS H 3.000 . 4.300 3.521 3.138 3.600 . 0 0 "[ . 1 . 2]" 1
546 1 112 GLU QB 1 114 LYS H 4.000 . 5.000 4.457 3.730 5.055 0.055 16 0 "[ . 1 . 2]" 1
547 1 112 GLU HB3 1 113 LYS H 3.000 . 4.300 2.678 1.946 3.957 . 0 0 "[ . 1 . 2]" 1
548 1 113 LYS H 1 113 LYS HA 2.500 . 2.900 2.850 2.312 2.942 0.042 14 0 "[ . 1 . 2]" 1
549 1 113 LYS H 1 114 LYS H 2.500 . 2.900 2.463 1.905 2.936 0.036 2 0 "[ . 1 . 2]" 1
550 1 113 LYS HB2 1 114 LYS H 3.000 . 4.300 3.833 2.669 4.551 0.251 13 0 "[ . 1 . 2]" 1
551 1 113 LYS HB3 1 114 LYS H 3.000 . 4.300 3.519 1.998 4.418 0.118 13 0 "[ . 1 . 2]" 1
552 1 114 LYS H 1 114 LYS HA 2.500 . 2.900 2.500 2.273 2.930 0.030 13 0 "[ . 1 . 2]" 1
553 1 114 LYS H 1 114 LYS HB2 3.000 . 4.300 3.410 2.966 3.960 . 0 0 "[ . 1 . 2]" 1
554 1 114 LYS H 1 114 LYS HB3 3.000 . 4.300 3.511 2.425 4.098 . 0 0 "[ . 1 . 2]" 1
555 1 114 LYS HA 1 115 GLU H 2.500 . 2.900 2.469 2.145 2.954 0.054 11 0 "[ . 1 . 2]" 1
556 1 115 GLU H 1 115 GLU HA 2.500 . 2.900 2.655 2.257 2.941 0.041 13 0 "[ . 1 . 2]" 1
557 1 115 GLU HA 1 116 ASP H 2.500 . 2.900 2.582 2.119 2.927 0.027 7 0 "[ . 1 . 2]" 1
558 1 115 GLU HB2 1 116 ASP H 3.000 . 4.300 3.487 1.893 4.397 0.097 17 0 "[ . 1 . 2]" 1
559 1 115 GLU HB3 1 116 ASP H 3.000 . 4.300 3.642 1.964 4.374 0.074 11 0 "[ . 1 . 2]" 1
560 1 116 ASP HA 1 117 THR H 3.000 . 4.300 2.698 2.147 3.574 . 0 0 "[ . 1 . 2]" 1
561 1 117 THR HA 1 119 ILE H 3.000 . 4.300 3.819 2.940 4.318 0.018 12 0 "[ . 1 . 2]" 1
562 1 117 THR HB 1 119 ILE H 3.000 . 4.300 3.801 2.430 4.513 0.213 20 0 "[ . 1 . 2]" 1
563 1 117 THR MG 1 119 ILE H 3.000 . 4.300 3.868 2.685 4.400 0.100 1 0 "[ . 1 . 2]" 1
564 1 118 GLY HA2 1 119 ILE H 3.000 . 4.300 3.487 3.347 3.567 . 0 0 "[ . 1 . 2]" 1
565 1 118 GLY HA3 1 119 ILE H 2.500 . 2.900 2.855 2.457 3.114 0.214 1 0 "[ . 1 . 2]" 1
566 1 119 ILE HA 1 120 LYS H 2.500 . 2.900 2.191 2.161 2.270 . 0 0 "[ . 1 . 2]" 1
567 1 119 ILE HB 1 120 LYS H 2.500 . 2.900 2.980 2.872 3.177 0.277 1 0 "[ . 1 . 2]" 1
568 1 119 ILE MD 1 120 LYS H 4.000 . 5.000 4.598 3.711 5.102 0.102 6 0 "[ . 1 . 2]" 1
569 1 119 ILE MD 1 121 ASN H 4.000 . 5.000 4.269 2.377 5.055 0.055 11 0 "[ . 1 . 2]" 1
570 1 119 ILE MD 1 122 ILE H 4.000 . 5.000 3.754 2.315 4.704 . 0 0 "[ . 1 . 2]" 1
571 1 119 ILE MG 1 120 LYS H 4.000 . 5.000 3.477 2.438 4.142 . 0 0 "[ . 1 . 2]" 1
572 1 119 ILE MG 1 121 ASN H 4.000 . 5.000 3.934 2.937 4.579 . 0 0 "[ . 1 . 2]" 1
573 1 119 ILE MG 1 122 ILE H 4.000 . 5.000 5.156 5.078 5.319 0.319 17 0 "[ . 1 . 2]" 1
574 1 120 LYS H 1 121 ASN H 2.500 . 2.900 2.529 2.208 2.906 0.006 17 0 "[ . 1 . 2]" 1
575 1 120 LYS HA 1 121 ASN H 3.000 . 4.300 3.530 3.466 3.573 . 0 0 "[ . 1 . 2]" 1
576 1 120 LYS HB3 1 121 ASN H 2.500 . 2.900 2.737 2.427 2.975 0.075 16 0 "[ . 1 . 2]" 1
577 1 121 ASN H 1 122 ILE H 4.000 . 5.000 4.108 4.066 4.167 . 0 0 "[ . 1 . 2]" 1
578 1 121 ASN HA 1 122 ILE H 2.500 . 2.900 2.145 2.093 2.174 . 0 0 "[ . 1 . 2]" 1
579 1 121 ASN HB2 1 122 ILE H 4.000 . 5.000 4.374 3.389 4.520 . 0 0 "[ . 1 . 2]" 1
580 1 121 ASN HB3 1 122 ILE H 3.000 . 4.300 3.732 3.449 4.173 . 0 0 "[ . 1 . 2]" 1
581 1 122 ILE H 1 123 MET H 4.000 . 5.000 4.475 4.311 4.571 . 0 0 "[ . 1 . 2]" 1
582 1 122 ILE HA 1 123 MET H 2.500 . 2.900 2.165 2.082 2.217 . 0 0 "[ . 1 . 2]" 1
583 1 123 MET HA 1 124 ILE H 2.500 . 2.900 2.480 2.431 2.528 . 0 0 "[ . 1 . 2]" 1
584 1 123 MET HB2 1 124 ILE H 3.000 . 4.300 3.408 2.482 3.777 . 0 0 "[ . 1 . 2]" 1
585 1 123 MET HB3 1 124 ILE H 2.500 . 2.900 2.422 2.179 3.001 0.101 7 0 "[ . 1 . 2]" 1
586 1 124 ILE HA 1 124 ILE MD 4.000 . 5.000 3.194 1.999 3.893 . 0 0 "[ . 1 . 2]" 1
587 1 124 ILE HA 1 125 LEU H 2.500 . 2.900 2.202 2.066 2.370 . 0 0 "[ . 1 . 2]" 1
588 1 124 ILE MD 1 125 LEU H 4.000 . 5.000 3.037 1.952 4.594 . 0 0 "[ . 1 . 2]" 1
589 1 124 ILE MD 1 125 LEU MD1 4.000 . 5.000 4.313 2.901 5.061 0.061 8 0 "[ . 1 . 2]" 1
590 1 124 ILE MD 1 125 LEU MD2 4.000 . 5.000 4.175 2.569 5.059 0.059 10 0 "[ . 1 . 2]" 1
591 1 124 ILE MG 1 125 LEU H 4.000 . 5.000 3.696 1.960 4.404 . 0 0 "[ . 1 . 2]" 1
592 1 125 LEU H 1 126 GLU H 4.000 . 5.000 4.528 4.269 4.602 . 0 0 "[ . 1 . 2]" 1
593 1 125 LEU HA 1 126 GLU H 2.500 . 2.900 2.158 2.066 2.187 . 0 0 "[ . 1 . 2]" 1
594 1 125 LEU HA 1 128 GLY H 4.000 . 5.000 4.781 3.840 5.120 0.120 6 0 "[ . 1 . 2]" 1
595 1 125 LEU QB 1 128 GLY H 4.000 . 5.000 2.992 2.035 4.531 . 0 0 "[ . 1 . 2]" 1
596 1 125 LEU MD1 1 126 GLU H 4.000 . 5.000 4.020 1.965 4.970 . 0 0 "[ . 1 . 2]" 1
597 1 125 LEU MD1 1 128 GLY H 4.000 . 5.000 3.684 1.882 4.989 . 0 0 "[ . 1 . 2]" 1
598 1 125 LEU MD2 1 128 GLY H 4.000 . 5.000 3.197 1.801 4.997 . 0 0 "[ . 1 . 2]" 1
599 1 125 LEU HG 1 128 GLY H 4.000 . 5.000 3.602 2.451 5.064 0.064 9 0 "[ . 1 . 2]" 1
600 1 126 GLU HA 1 127 ARG H 3.000 . 4.300 3.274 2.247 3.575 . 0 0 "[ . 1 . 2]" 1
601 1 126 GLU QB 1 127 ARG H 4.000 . 5.000 3.123 1.755 3.884 0.045 19 0 "[ . 1 . 2]" 1
602 1 127 ARG H 1 128 GLY H 4.000 . 5.000 2.579 1.889 3.485 . 0 0 "[ . 1 . 2]" 1
603 1 127 ARG HA 1 128 GLY H 3.000 . 4.300 3.261 2.410 3.583 . 0 0 "[ . 1 . 2]" 1
604 1 127 ARG HA 1 129 PHE H 4.000 . 5.000 4.670 2.945 5.139 0.139 18 0 "[ . 1 . 2]" 1
605 1 127 ARG HA 1 130 ASN H 4.000 . 5.000 4.317 3.730 5.078 0.078 12 0 "[ . 1 . 2]" 1
606 1 127 ARG HA 1 131 GLY H 4.000 . 5.000 4.659 3.667 5.137 0.137 6 0 "[ . 1 . 2]" 1
607 1 127 ARG HB2 1 128 GLY H 4.000 . 5.000 3.761 1.980 4.651 . 0 0 "[ . 1 . 2]" 1
608 1 127 ARG HB3 1 128 GLY H 4.000 . 5.000 3.272 2.017 4.431 . 0 0 "[ . 1 . 2]" 1
609 1 128 GLY QA 1 129 PHE H 2.500 . 2.900 2.359 2.127 2.928 0.028 6 0 "[ . 1 . 2]" 1
610 1 128 GLY QA 1 130 ASN H 4.000 . 5.000 3.712 3.006 5.056 0.056 12 0 "[ . 1 . 2]" 1
611 1 129 PHE H 1 130 ASN H 2.500 . 2.900 2.242 1.738 2.928 0.062 4 0 "[ . 1 . 2]" 1
612 1 129 PHE HA 1 130 ASN H 3.000 . 4.300 3.157 2.795 3.532 . 0 0 "[ . 1 . 2]" 1
613 1 129 PHE HA 1 131 GLY H 3.000 . 4.300 3.913 3.454 4.523 0.223 12 0 "[ . 1 . 2]" 1
614 1 129 PHE HA 1 132 TRP H 3.000 . 4.300 3.087 2.749 3.597 . 0 0 "[ . 1 . 2]" 1
615 1 129 PHE QD 1 130 ASN H 4.000 . 5.000 4.168 2.564 4.938 . 0 0 "[ . 1 . 2]" 1
616 1 130 ASN H 1 131 GLY H 2.500 . 2.900 2.677 2.557 2.813 . 0 0 "[ . 1 . 2]" 1
617 1 130 ASN H 1 132 TRP H 4.000 . 5.000 3.971 3.727 4.301 . 0 0 "[ . 1 . 2]" 1
618 1 130 ASN HA 1 131 GLY H 3.000 . 4.300 3.527 3.485 3.560 . 0 0 "[ . 1 . 2]" 1
619 1 130 ASN HA 1 132 TRP H 3.000 . 4.300 4.301 4.093 4.401 0.101 18 0 "[ . 1 . 2]" 1
620 1 130 ASN HA 1 133 GLU H 3.000 . 4.300 3.763 3.113 3.957 . 0 0 "[ . 1 . 2]" 1
621 1 130 ASN HB2 1 131 GLY H 3.000 . 4.300 3.369 2.515 3.943 . 0 0 "[ . 1 . 2]" 1
622 1 130 ASN HB3 1 131 GLY H 3.000 . 4.300 3.226 2.403 4.070 . 0 0 "[ . 1 . 2]" 1
623 1 131 GLY H 1 132 TRP H 2.500 . 2.900 2.584 2.512 2.694 . 0 0 "[ . 1 . 2]" 1
624 1 131 GLY H 1 133 GLU H 4.000 . 5.000 4.484 4.312 4.619 . 0 0 "[ . 1 . 2]" 1
625 1 131 GLY H 1 135 SER H 4.000 . 5.000 5.180 5.071 5.315 0.315 16 0 "[ . 1 . 2]" 1
626 1 131 GLY QA 1 132 TRP H 4.000 . 5.000 2.759 2.680 2.801 . 0 0 "[ . 1 . 2]" 1
627 1 131 GLY QA 1 134 ALA H 4.000 . 5.000 3.731 3.490 3.997 . 0 0 "[ . 1 . 2]" 1
628 1 131 GLY HA2 1 134 ALA MB 3.000 . 4.300 2.662 2.345 2.882 . 0 0 "[ . 1 . 2]" 1
629 1 131 GLY HA3 1 134 ALA MB 3.000 . 4.300 4.209 3.896 4.366 0.066 1 0 "[ . 1 . 2]" 1
630 1 132 TRP H 1 133 GLU H 2.500 . 2.900 2.789 2.724 2.903 0.003 12 0 "[ . 1 . 2]" 1
631 1 132 TRP H 1 134 ALA H 4.000 . 5.000 4.142 3.918 4.268 . 0 0 "[ . 1 . 2]" 1
632 1 132 TRP HA 1 132 TRP HE1 4.000 . 5.000 5.175 4.854 5.400 0.400 5 0 "[ . 1 . 2]" 1
633 1 132 TRP HA 1 133 GLU H 3.000 . 4.300 3.576 3.543 3.623 . 0 0 "[ . 1 . 2]" 1
634 1 132 TRP HB2 1 133 GLU H 3.000 . 4.300 3.822 3.711 4.009 . 0 0 "[ . 1 . 2]" 1
635 1 132 TRP HB3 1 133 GLU H 3.000 . 4.300 2.493 2.306 2.905 . 0 0 "[ . 1 . 2]" 1
636 1 132 TRP HD1 1 133 GLU H 3.000 . 4.300 3.628 2.923 4.453 0.153 17 0 "[ . 1 . 2]" 1
637 1 132 TRP HD1 1 139 VAL MG1 4.000 . 5.000 3.524 1.817 5.055 0.055 12 0 "[ . 1 . 2]" 1
638 1 132 TRP HE1 1 133 GLU HA 4.000 . 5.000 4.403 3.053 5.150 0.150 14 0 "[ . 1 . 2]" 1
639 1 132 TRP HE1 1 137 LYS HG2 4.000 . 5.000 4.729 2.502 5.165 0.165 8 0 "[ . 1 . 2]" 1
640 1 132 TRP HE1 1 137 LYS HG3 4.000 . 5.000 4.281 1.893 5.108 0.108 16 0 "[ . 1 . 2]" 1
641 1 132 TRP HE1 1 139 VAL HA 3.000 . 4.300 2.738 1.801 4.500 0.200 12 0 "[ . 1 . 2]" 1
642 1 132 TRP HE1 1 139 VAL MG1 3.000 . 4.300 2.957 1.742 4.366 0.066 6 0 "[ . 1 . 2]" 1
643 1 132 TRP HE1 1 139 VAL MG2 3.000 . 4.300 4.076 3.362 4.400 0.100 1 0 "[ . 1 . 2]" 1
644 1 133 GLU H 1 134 ALA H 2.500 . 2.900 2.651 2.558 2.777 . 0 0 "[ . 1 . 2]" 1
645 1 133 GLU H 1 135 SER H 4.000 . 5.000 4.227 3.827 4.519 . 0 0 "[ . 1 . 2]" 1
646 1 133 GLU H 1 139 VAL MG1 4.000 . 5.000 4.895 3.479 5.481 0.481 10 0 "[ . 1 . 2]" 1
647 1 133 GLU HA 1 134 ALA H 3.000 . 4.300 3.533 3.503 3.549 . 0 0 "[ . 1 . 2]" 1
648 1 133 GLU HA 1 136 GLY H 4.000 . 5.000 4.525 3.997 5.124 0.124 3 0 "[ . 1 . 2]" 1
649 1 133 GLU HA 1 139 VAL HB 4.000 . 5.000 5.078 4.779 5.202 0.202 17 0 "[ . 1 . 2]" 1
650 1 133 GLU HA 1 139 VAL MG1 4.000 . 5.000 3.224 2.017 4.436 . 0 0 "[ . 1 . 2]" 1
651 1 133 GLU HB2 1 134 ALA H 3.000 . 4.300 3.200 2.454 3.830 . 0 0 "[ . 1 . 2]" 1
652 1 133 GLU HB3 1 134 ALA H 3.000 . 4.300 2.949 2.319 4.036 . 0 0 "[ . 1 . 2]" 1
653 1 133 GLU HB3 1 139 VAL MG1 4.000 . 5.000 4.593 2.764 5.200 0.200 12 0 "[ . 1 . 2]" 1
654 1 133 GLU HG2 1 139 VAL MG1 4.000 . 5.000 3.841 2.191 5.034 0.034 11 0 "[ . 1 . 2]" 1
655 1 134 ALA H 1 135 SER H 2.500 . 2.900 2.793 2.615 2.950 0.050 3 0 "[ . 1 . 2]" 1
656 1 134 ALA H 1 136 GLY H 4.000 . 5.000 4.348 3.891 4.733 . 0 0 "[ . 1 . 2]" 1
657 1 134 ALA HA 1 135 SER H 3.000 . 4.300 3.584 3.507 3.628 . 0 0 "[ . 1 . 2]" 1
658 1 134 ALA MB 1 135 SER H 3.000 . 4.300 2.410 2.237 2.754 . 0 0 "[ . 1 . 2]" 1
659 1 134 ALA MB 1 136 GLY H 3.000 . 4.300 4.376 4.074 4.627 0.327 12 0 "[ . 1 . 2]" 1
660 1 135 SER H 1 136 GLY H 2.500 . 2.900 2.646 2.004 3.146 0.246 7 0 "[ . 1 . 2]" 1
661 1 135 SER HA 1 136 GLY H 3.000 . 4.300 3.174 2.635 3.578 . 0 0 "[ . 1 . 2]" 1
662 1 135 SER HA 1 137 LYS H 3.000 . 4.300 4.288 3.496 4.780 0.480 8 0 "[ . 1 . 2]" 1
663 1 136 GLY H 1 137 LYS H 2.500 . 2.900 2.362 1.684 3.012 0.116 8 0 "[ . 1 . 2]" 1
664 1 136 GLY HA2 1 137 LYS H 3.000 . 4.300 3.199 2.602 3.566 . 0 0 "[ . 1 . 2]" 1
665 1 136 GLY HA3 1 137 LYS H 3.000 . 4.300 3.159 2.633 3.563 . 0 0 "[ . 1 . 2]" 1
666 1 137 LYS HA 1 138 PRO HD2 3.000 . 4.300 3.081 1.922 4.106 . 0 0 "[ . 1 . 2]" 1
667 1 137 LYS HA 1 138 PRO HD3 3.000 . 4.300 3.235 2.082 4.361 0.061 9 0 "[ . 1 . 2]" 1
668 1 139 VAL H 1 140 CYS H 4.000 . 5.000 4.537 4.397 4.619 . 0 0 "[ . 1 . 2]" 1
669 1 139 VAL HA 1 140 CYS H 3.000 . 4.300 2.287 2.112 2.417 . 0 0 "[ . 1 . 2]" 1
670 1 139 VAL HB 1 140 CYS H 3.000 . 4.300 3.344 2.803 4.247 . 0 0 "[ . 1 . 2]" 1
671 1 139 VAL QG 1 140 CYS H 3.000 . 4.300 2.616 1.936 3.360 . 0 0 "[ . 1 . 2]" 1
672 1 140 CYS H 1 140 CYS HB2 4.000 . 5.000 2.814 2.175 3.615 . 0 0 "[ . 1 . 2]" 1
673 1 140 CYS H 1 140 CYS HB3 4.000 . 5.000 3.157 2.058 3.806 . 0 0 "[ . 1 . 2]" 1
674 1 140 CYS H 1 141 ARG H 4.000 . 5.000 4.279 3.783 4.676 . 0 0 "[ . 1 . 2]" 1
675 1 140 CYS HA 1 141 ARG H 3.000 . 4.300 2.896 2.123 3.550 . 0 0 "[ . 1 . 2]" 1
676 1 140 CYS HA 1 142 CYS H 4.000 . 5.000 4.342 3.442 5.034 0.034 18 0 "[ . 1 . 2]" 1
677 1 140 CYS HB2 1 141 ARG H 4.000 . 5.000 3.598 2.410 4.490 . 0 0 "[ . 1 . 2]" 1
678 1 140 CYS HB3 1 141 ARG H 4.000 . 5.000 2.859 1.650 4.624 0.150 17 0 "[ . 1 . 2]" 1
679 1 141 ARG H 1 142 CYS H 3.000 . 4.300 2.738 1.794 4.095 0.006 16 0 "[ . 1 . 2]" 1
680 1 141 ARG HA 1 142 CYS H 3.000 . 4.300 3.004 2.279 3.553 . 0 0 "[ . 1 . 2]" 1
681 1 141 ARG QG 1 142 CYS H 3.000 . 4.300 3.836 2.057 4.414 0.114 16 0 "[ . 1 . 2]" 1
682 1 142 CYS HA 1 143 ALA H 3.000 . 4.300 2.724 2.262 3.221 . 0 0 "[ . 1 . 2]" 1
683 1 142 CYS HA 1 144 GLU H 4.000 . 5.000 4.207 2.927 5.026 0.026 6 0 "[ . 1 . 2]" 1
684 1 142 CYS HB2 1 143 ALA H 2.500 . 2.900 2.343 1.706 3.095 0.195 2 0 "[ . 1 . 2]" 1
685 1 142 CYS HB2 1 144 GLU H 4.000 . 5.000 3.582 2.586 4.772 . 0 0 "[ . 1 . 2]" 1
686 1 142 CYS HB3 1 143 ALA H 2.500 . 2.900 2.659 1.779 3.315 0.415 19 0 "[ . 1 . 2]" 1
687 1 142 CYS HB3 1 144 GLU H 4.000 . 5.000 3.901 3.036 4.713 . 0 0 "[ . 1 . 2]" 1
688 1 143 ALA H 1 143 ALA HA 2.500 . 2.900 2.769 2.432 2.893 . 0 0 "[ . 1 . 2]" 1
689 1 143 ALA H 1 143 ALA MB 2.500 . 2.900 2.886 2.747 3.128 0.228 2 0 "[ . 1 . 2]" 1
690 1 143 ALA H 1 144 GLU H 2.500 . 2.900 1.844 1.642 2.518 0.158 15 0 "[ . 1 . 2]" 1
691 1 143 ALA H 1 144 GLU HA 4.000 . 5.000 4.062 3.480 4.712 . 0 0 "[ . 1 . 2]" 1
692 1 143 ALA H 1 144 GLU HB2 4.000 . 5.000 4.747 3.824 5.420 0.420 18 0 "[ . 1 . 2]" 1
693 1 143 ALA H 1 144 GLU HB3 4.000 . 5.000 5.143 4.751 5.415 0.415 20 0 "[ . 1 . 2]" 1
694 1 143 ALA H 1 144 GLU HG2 4.000 . 5.000 3.950 2.299 5.083 0.083 13 0 "[ . 1 . 2]" 1
695 1 143 ALA H 1 144 GLU HG3 4.000 . 5.000 3.964 2.517 5.092 0.092 13 0 "[ . 1 . 2]" 1
696 1 143 ALA HA 1 144 GLU H 3.000 . 4.300 3.106 2.662 3.505 . 0 0 "[ . 1 . 2]" 1
697 1 143 ALA MB 1 144 GLU H 3.000 . 4.300 3.258 2.333 3.734 . 0 0 "[ . 1 . 2]" 1
698 1 144 GLU HA 1 145 VAL H 3.000 . 4.300 2.740 2.024 3.564 . 0 0 "[ . 1 . 2]" 1
699 1 144 GLU HA 1 147 CYS H 4.000 . 5.000 5.081 4.036 5.311 0.311 9 0 "[ . 1 . 2]" 1
700 1 144 GLU HB2 1 145 VAL H 2.500 . 2.900 2.510 1.711 3.080 0.180 10 0 "[ . 1 . 2]" 1
701 1 144 GLU HB3 1 145 VAL H 2.500 . 2.900 2.683 1.735 3.220 0.320 18 0 "[ . 1 . 2]" 1
702 1 146 PRO HD2 1 147 CYS H 4.000 . 5.000 3.177 1.736 4.851 0.064 10 0 "[ . 1 . 2]" 1
703 1 146 PRO HD3 1 147 CYS H 4.000 . 5.000 4.126 3.174 5.037 0.037 5 0 "[ . 1 . 2]" 1
704 1 147 CYS HA 1 148 LYS H 3.000 . 4.300 2.792 2.096 3.586 . 0 0 "[ . 1 . 2]" 1
705 1 147 CYS HB2 1 148 LYS H 4.000 . 5.000 3.730 2.177 4.730 . 0 0 "[ . 1 . 2]" 1
706 1 147 CYS HB3 1 148 LYS H 4.000 . 5.000 3.132 1.774 4.584 0.026 6 0 "[ . 1 . 2]" 1
707 1 148 LYS H 1 149 GLY H 3.000 . 4.300 3.296 1.966 4.604 0.304 3 0 "[ . 1 . 2]" 1
708 1 148 LYS HA 1 149 GLY H 3.000 . 4.300 3.041 2.120 3.622 . 0 0 "[ . 1 . 2]" 1
709 1 148 LYS HB2 1 149 GLY H 4.000 . 5.000 2.862 1.893 3.821 . 0 0 "[ . 1 . 2]" 1
710 1 148 LYS HB2 1 150 ASP H 4.000 . 5.000 3.144 1.735 5.311 0.311 16 0 "[ . 1 . 2]" 1
711 1 148 LYS HB2 1 151 CYS H 4.000 . 5.000 5.129 4.391 5.468 0.468 19 0 "[ . 1 . 2]" 1
712 1 148 LYS HB3 1 149 GLY H 4.000 . 5.000 3.350 1.890 4.539 . 0 0 "[ . 1 . 2]" 1
713 1 148 LYS HB3 1 150 ASP H 4.000 . 5.000 3.423 2.418 5.420 0.420 14 0 "[ . 1 . 2]" 1
714 1 148 LYS HB3 1 151 CYS H 4.000 . 5.000 5.127 4.296 5.344 0.344 19 0 "[ . 1 . 2]" 1
715 1 148 LYS HG2 1 149 GLY H 4.000 . 5.000 4.009 2.834 4.998 . 0 0 "[ . 1 . 2]" 1
716 1 148 LYS HG2 1 150 ASP H 4.000 . 5.000 4.414 2.682 5.085 0.085 3 0 "[ . 1 . 2]" 1
717 1 148 LYS HG3 1 149 GLY H 4.000 . 5.000 3.768 2.173 4.987 . 0 0 "[ . 1 . 2]" 1
718 1 148 LYS HG3 1 150 ASP H 4.000 . 5.000 4.240 2.332 5.073 0.073 3 0 "[ . 1 . 2]" 1
719 1 149 GLY H 1 150 ASP H 3.000 . 4.300 2.468 1.954 3.222 . 0 0 "[ . 1 . 2]" 1
720 1 149 GLY HA2 1 150 ASP H 3.000 . 4.300 3.151 2.508 3.601 . 0 0 "[ . 1 . 2]" 1
721 1 149 GLY HA3 1 150 ASP H 3.000 . 4.300 2.937 2.227 3.479 . 0 0 "[ . 1 . 2]" 1
722 1 150 ASP HA 1 151 CYS H 3.000 . 4.300 2.137 2.030 2.212 . 0 0 "[ . 1 . 2]" 1
723 1 150 ASP HA 1 152 ALA H 4.000 . 5.000 4.103 3.573 5.175 0.175 9 0 "[ . 1 . 2]" 1
724 1 150 ASP QB 1 152 ALA H 4.000 . 5.000 3.821 2.365 5.442 0.442 3 0 "[ . 1 . 2]" 1
725 1 150 ASP HB2 1 151 CYS H 4.000 . 5.000 4.097 3.500 4.526 . 0 0 "[ . 1 . 2]" 1
726 1 150 ASP HB3 1 151 CYS H 4.000 . 5.000 3.636 2.964 4.478 . 0 0 "[ . 1 . 2]" 1
727 1 151 CYS HA 1 152 ALA H 3.000 . 4.300 3.075 2.228 3.566 . 0 0 "[ . 1 . 2]" 1
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