NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379655 |
1hzl   |
4947 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hzl
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 1092
_Distance_constraint_stats_list.Viol_count 1916
_Distance_constraint_stats_list.Viol_total 3506.610
_Distance_constraint_stats_list.Viol_max 0.360
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0610
_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 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 2 PRO 0.166 0.049 27 0 "[ . 1 . 2 . 3]"
1 3 ALA 0.069 0.038 10 0 "[ . 1 . 2 . 3]"
1 4 PHE 0.925 0.092 29 0 "[ . 1 . 2 . 3]"
1 5 SER 0.169 0.042 11 0 "[ . 1 . 2 . 3]"
1 6 VAL 2.006 0.140 21 0 "[ . 1 . 2 . 3]"
1 7 SER 1.109 0.080 9 0 "[ . 1 . 2 . 3]"
1 8 PRO 3.554 0.212 29 0 "[ . 1 . 2 . 3]"
1 9 ALA 0.896 0.139 20 0 "[ . 1 . 2 . 3]"
1 10 SER 0.256 0.064 7 0 "[ . 1 . 2 . 3]"
1 11 GLY 0.408 0.068 5 0 "[ . 1 . 2 . 3]"
1 12 LEU 0.741 0.068 5 0 "[ . 1 . 2 . 3]"
1 13 SER 0.033 0.024 11 0 "[ . 1 . 2 . 3]"
1 14 ASP 1.470 0.110 2 0 "[ . 1 . 2 . 3]"
1 15 GLY 2.919 0.152 3 0 "[ . 1 . 2 . 3]"
1 16 GLN 6.897 0.212 29 0 "[ . 1 . 2 . 3]"
1 17 SER 0.724 0.087 26 0 "[ . 1 . 2 . 3]"
1 18 VAL 1.285 0.083 4 0 "[ . 1 . 2 . 3]"
1 19 SER 0.875 0.073 7 0 "[ . 1 . 2 . 3]"
1 20 VAL 3.023 0.154 8 0 "[ . 1 . 2 . 3]"
1 21 SER 0.566 0.057 15 0 "[ . 1 . 2 . 3]"
1 22 VAL 3.872 0.108 24 0 "[ . 1 . 2 . 3]"
1 23 SER 1.629 0.092 19 0 "[ . 1 . 2 . 3]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 ALA 0.410 0.065 20 0 "[ . 1 . 2 . 3]"
1 26 ALA 4.137 0.183 11 0 "[ . 1 . 2 . 3]"
1 27 ALA 1.696 0.110 27 0 "[ . 1 . 2 . 3]"
1 28 GLY 4.675 0.183 11 0 "[ . 1 . 2 . 3]"
1 29 GLU 1.244 0.090 15 0 "[ . 1 . 2 . 3]"
1 30 THR 0.031 0.031 24 0 "[ . 1 . 2 . 3]"
1 31 TYR 0.537 0.066 3 0 "[ . 1 . 2 . 3]"
1 32 TYR 3.062 0.212 19 0 "[ . 1 . 2 . 3]"
1 33 ILE 0.801 0.095 3 0 "[ . 1 . 2 . 3]"
1 34 ALA 0.223 0.069 14 0 "[ . 1 . 2 . 3]"
1 35 GLN 0.070 0.021 5 0 "[ . 1 . 2 . 3]"
1 36 CYS 0.342 0.097 2 0 "[ . 1 . 2 . 3]"
1 37 ALA 1.676 0.122 13 0 "[ . 1 . 2 . 3]"
1 38 PRO 2.209 0.142 21 0 "[ . 1 . 2 . 3]"
1 39 VAL 5.459 0.147 17 0 "[ . 1 . 2 . 3]"
1 40 GLY 1.335 0.147 17 0 "[ . 1 . 2 . 3]"
1 41 GLY 0.163 0.077 2 0 "[ . 1 . 2 . 3]"
1 42 GLN 0.530 0.080 25 0 "[ . 1 . 2 . 3]"
1 43 ASP 0.166 0.068 2 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.159 0.043 4 0 "[ . 1 . 2 . 3]"
1 45 CYS 0.253 0.079 9 0 "[ . 1 . 2 . 3]"
1 46 ASN 1.099 0.129 13 0 "[ . 1 . 2 . 3]"
1 47 PRO 0.502 0.075 12 0 "[ . 1 . 2 . 3]"
1 48 ALA 2.647 0.093 19 0 "[ . 1 . 2 . 3]"
1 49 THR 3.557 0.236 3 0 "[ . 1 . 2 . 3]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 THR 0.337 0.167 18 0 "[ . 1 . 2 . 3]"
1 52 SER 0.310 0.066 3 0 "[ . 1 . 2 . 3]"
1 53 PHE 1.885 0.143 12 0 "[ . 1 . 2 . 3]"
1 54 THR 0.049 0.049 25 0 "[ . 1 . 2 . 3]"
1 55 THR 6.475 0.146 23 0 "[ . 1 . 2 . 3]"
1 56 ASP 2.903 0.146 23 0 "[ . 1 . 2 . 3]"
1 57 ALA 3.462 0.162 24 0 "[ . 1 . 2 . 3]"
1 58 SER 0.303 0.052 17 0 "[ . 1 . 2 . 3]"
1 59 GLY 6.064 0.162 24 0 "[ . 1 . 2 . 3]"
1 60 ALA 0.662 0.101 15 0 "[ . 1 . 2 . 3]"
1 61 ALA 0.921 0.092 19 0 "[ . 1 . 2 . 3]"
1 62 SER 0.039 0.023 27 0 "[ . 1 . 2 . 3]"
1 63 PHE 3.429 0.154 8 0 "[ . 1 . 2 . 3]"
1 64 SER 1.148 0.087 8 0 "[ . 1 . 2 . 3]"
1 65 PHE 3.129 0.090 26 0 "[ . 1 . 2 . 3]"
1 66 VAL 2.242 0.152 26 0 "[ . 1 . 2 . 3]"
1 67 VAL 3.091 0.152 26 0 "[ . 1 . 2 . 3]"
1 68 ARG 0.185 0.093 7 0 "[ . 1 . 2 . 3]"
1 69 LYS 1.117 0.112 29 0 "[ . 1 . 2 . 3]"
1 70 SER 0.314 0.079 7 0 "[ . 1 . 2 . 3]"
1 71 TYR 1.358 0.149 11 0 "[ . 1 . 2 . 3]"
1 72 THR 2.444 0.117 5 0 "[ . 1 . 2 . 3]"
1 73 GLY 0.537 0.103 11 0 "[ . 1 . 2 . 3]"
1 74 SER 2.334 0.129 28 0 "[ . 1 . 2 . 3]"
1 75 THR 0.233 0.129 28 0 "[ . 1 . 2 . 3]"
1 76 PRO 2.442 0.195 17 0 "[ . 1 . 2 . 3]"
1 77 GLU 0.557 0.078 2 0 "[ . 1 . 2 . 3]"
1 78 GLY 0.669 0.078 2 0 "[ . 1 . 2 . 3]"
1 79 THR 0.831 0.172 6 0 "[ . 1 . 2 . 3]"
1 80 PRO 1.125 0.114 8 0 "[ . 1 . 2 . 3]"
1 81 VAL 4.937 0.121 10 0 "[ . 1 . 2 . 3]"
1 82 GLY 1.895 0.146 23 0 "[ . 1 . 2 . 3]"
1 83 SER 0.715 0.146 23 0 "[ . 1 . 2 . 3]"
1 84 VAL 1.293 0.149 11 0 "[ . 1 . 2 . 3]"
1 85 ASP 0.073 0.058 24 0 "[ . 1 . 2 . 3]"
1 86 CYS 0.009 0.009 27 0 "[ . 1 . 2 . 3]"
1 87 ALA 2.701 0.147 27 0 "[ . 1 . 2 . 3]"
1 88 THR 1.109 0.066 28 0 "[ . 1 . 2 . 3]"
1 89 ALA 4.959 0.151 10 0 "[ . 1 . 2 . 3]"
1 90 ALA 1.299 0.151 10 0 "[ . 1 . 2 . 3]"
1 91 CYS 1.168 0.122 13 0 "[ . 1 . 2 . 3]"
1 92 ASN 0.114 0.021 5 0 "[ . 1 . 2 . 3]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 94 GLY 0.671 0.101 21 0 "[ . 1 . 2 . 3]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 ASN 2.534 0.090 3 0 "[ . 1 . 2 . 3]"
1 98 SER 0.448 0.069 19 0 "[ . 1 . 2 . 3]"
1 99 GLY 0.228 0.044 26 0 "[ . 1 . 2 . 3]"
1 100 LEU 0.479 0.072 11 0 "[ . 1 . 2 . 3]"
1 101 ASP 0.261 0.072 11 0 "[ . 1 . 2 . 3]"
1 102 LEU 1.443 0.090 1 0 "[ . 1 . 2 . 3]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 104 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 105 VAL 0.789 0.101 21 0 "[ . 1 . 2 . 3]"
1 106 ALA 0.118 0.055 12 0 "[ . 1 . 2 . 3]"
1 107 LEU 0.307 0.047 30 0 "[ . 1 . 2 . 3]"
1 108 THR 3.058 0.118 25 0 "[ . 1 . 2 . 3]"
1 109 PHE 1.618 0.112 29 0 "[ . 1 . 2 . 3]"
1 110 GLY 0.280 0.057 9 0 "[ . 1 . 2 . 3]"
2 1 ROM 27.998 0.360 22 0 "[ . 1 . 2 . 3]"
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 1 ALA HA 1 2 PRO QD 0.000 . 3.900 2.025 1.908 2.173 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 ALA HA 1 2 PRO QG 0.000 . 4.500 3.947 3.824 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 ALA MB 1 2 PRO QD 0.000 . 5.400 2.633 1.880 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 PRO HA 1 2 PRO HB3 0.000 . 2.900 2.310 2.304 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 PRO HA 1 3 ALA H 0.000 . 2.900 2.726 2.315 2.938 0.038 10 0 "[ . 1 . 2 . 3]" 1
6 1 2 PRO HA 1 24 GLY QA 0.000 . 3.900 2.090 1.820 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 PRO HB3 1 24 GLY QA 0.000 . 4.500 2.308 1.875 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 PRO HB3 1 25 ALA HA 0.000 . 3.500 3.289 2.536 3.549 0.049 27 0 "[ . 1 . 2 . 3]" 1
9 1 2 PRO HB3 1 25 ALA MB 0.000 . 5.000 3.905 3.378 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 PRO HB3 1 102 LEU MD2 0.000 . 5.000 3.554 3.024 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 PRO HB2 1 24 GLY QA 0.000 . 4.500 3.027 2.415 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 PRO HB2 1 25 ALA HA 0.000 . 5.000 4.329 3.704 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 PRO HB2 1 102 LEU MD2 0.000 . 4.400 2.509 1.838 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 PRO QG 1 24 GLY QA 0.000 . 7.000 4.087 3.716 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 PRO QG 1 25 ALA HA 0.000 . 4.500 3.691 3.195 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 PRO QG 1 100 LEU MD1 0.000 . 5.400 3.375 2.259 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 PRO QG 1 102 LEU MD2 0.000 . 6.000 2.598 1.802 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 ALA H 1 3 ALA MB 0.000 . 3.600 2.571 2.160 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 ALA MB 1 4 PHE H 0.000 . 5.000 2.670 2.158 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 ALA MB 1 22 VAL HA 0.000 . 6.500 4.820 4.102 5.241 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 ALA H 1 23 SER H 0.000 . 3.500 3.306 2.982 3.519 0.019 15 0 "[ . 1 . 2 . 3]" 1
22 1 3 ALA H 1 25 ALA MB 0.000 . 6.500 5.158 4.763 5.312 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 ALA H 1 102 LEU MD2 0.000 . 6.500 3.490 2.697 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 4 PHE HA 1 4 PHE QE 0.000 . 5.500 4.615 4.301 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 4 PHE HA 1 5 SER H 0.000 . 2.900 2.261 2.236 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 4 PHE HA 1 20 VAL MG1 0.000 . 6.500 4.762 4.354 5.108 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 4 PHE HA 1 22 VAL HA 0.000 . 2.900 2.337 2.164 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 4 PHE HA 1 23 SER H 0.000 . 3.500 3.464 3.095 3.592 0.092 29 0 "[ . 1 . 2 . 3]" 1
29 1 4 PHE H 1 4 PHE QB 0.000 . 3.500 2.572 2.178 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 4 PHE QB 1 5 SER H 0.000 . 4.500 3.863 3.762 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 4 PHE QB 1 102 LEU MD1 0.000 . 6.000 3.486 1.695 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 4 PHE QB 1 102 LEU MD2 0.000 . 6.000 2.847 1.843 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 4 PHE QD 1 5 SER H 0.000 . 5.500 3.284 2.455 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 PHE QD 1 22 VAL HA 0.000 . 7.000 3.165 2.201 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 4 PHE QD 1 22 VAL QG 0.000 . 7.300 1.806 1.654 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 PHE QD 1 23 SER H 0.000 . 7.000 4.741 4.020 5.482 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 4 PHE QD 1 102 LEU MD1 0.000 . 7.000 3.265 2.366 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 PHE QD 1 102 LEU MD2 0.000 . 7.000 3.709 2.309 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 PHE QD 1 105 VAL MG2 0.000 . 6.400 2.234 1.792 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 PHE QD 1 105 VAL H 0.000 . 5.500 3.764 2.474 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 PHE QE 1 5 SER HA 0.000 . 5.500 4.490 3.796 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 PHE QE 1 20 VAL MG1 0.000 . 6.000 2.282 1.755 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 PHE QE 1 20 VAL MG2 0.000 . 6.400 3.717 3.267 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 PHE QE 1 22 VAL QG 0.000 . 7.900 2.277 1.898 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 PHE QE 1 33 ILE HB 0.000 . 7.000 4.176 3.162 5.074 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 PHE QE 1 34 ALA H 0.000 . 7.000 6.066 5.360 6.409 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 PHE QE 1 94 GLY HA2 0.000 . 7.000 4.452 3.230 5.631 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 PHE QE 1 95 ALA MB 0.000 . 7.000 2.859 2.072 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 PHE HZ 1 20 VAL MG1 0.000 . 4.400 2.358 1.830 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 PHE HZ 1 20 VAL MG2 0.000 . 5.000 3.181 2.604 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 PHE HZ 1 22 VAL QG 0.000 . 5.900 3.997 3.811 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 4 PHE HZ 1 33 ILE HB 0.000 . 5.000 4.734 4.053 5.055 0.055 10 0 "[ . 1 . 2 . 3]" 1
53 1 4 PHE HZ 1 93 LEU MD1 0.000 . 5.000 4.095 3.808 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 4 PHE HZ 1 93 LEU MD2 0.000 . 4.400 2.338 1.897 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 4 PHE HZ 1 105 VAL MG2 0.000 . 5.000 3.866 3.252 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 SER HA 1 6 VAL H 0.000 . 2.500 2.346 2.255 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 SER HA 1 105 VAL MG1 0.000 . 5.000 3.934 3.389 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 SER HA 1 105 VAL MG2 0.000 . 4.400 2.463 1.871 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 SER QB 1 6 VAL H 0.000 . 3.900 2.981 2.532 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 SER H 1 21 SER H 0.000 . 3.500 3.447 3.269 3.542 0.042 11 0 "[ . 1 . 2 . 3]" 1
61 1 6 VAL HA 1 6 VAL HB 0.000 . 2.900 2.497 2.439 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 6 VAL HA 1 7 SER H 0.000 . 2.500 2.413 2.320 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 6 VAL HA 1 20 VAL HA 0.000 . 2.900 2.074 1.899 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 6 VAL HA 1 20 VAL MG1 0.000 . 4.400 3.388 3.085 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 6 VAL HA 1 20 VAL MG2 0.000 . 5.000 3.164 2.873 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 6 VAL HA 1 21 SER H 0.000 . 3.500 3.431 3.099 3.557 0.057 15 0 "[ . 1 . 2 . 3]" 1
67 1 6 VAL H 1 6 VAL HB 0.000 . 2.900 2.957 2.878 3.040 0.140 21 0 "[ . 1 . 2 . 3]" 1
68 1 6 VAL HB 1 20 VAL MG2 0.000 . 4.400 2.723 2.293 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 VAL HB 1 105 VAL MG1 0.000 . 4.000 3.014 2.587 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 6 VAL HB 1 105 VAL MG2 0.000 . 4.400 2.910 2.503 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 VAL MG1 1 7 SER H 0.000 . 5.000 3.554 3.246 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 6 VAL MG1 1 9 ALA HA 0.000 . 4.400 3.248 2.985 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 VAL MG1 1 9 ALA MB 0.000 . 6.500 2.377 2.213 2.742 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 VAL MG1 1 105 VAL MG1 0.000 . 5.500 1.630 1.565 1.710 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 6 VAL MG1 1 105 VAL MG2 0.000 . 5.500 2.481 2.033 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 6 VAL MG2 1 7 SER H 0.000 . 4.400 2.101 1.819 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 6 VAL MG2 1 9 ALA MB 0.000 . 5.900 3.844 3.738 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 6 VAL MG2 1 18 VAL HA 0.000 . 6.500 4.231 3.963 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 6 VAL MG2 1 18 VAL HB 0.000 . 4.400 2.345 2.104 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 6 VAL MG2 1 18 VAL MG1 0.000 . 5.500 3.168 2.861 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 6 VAL MG2 1 18 VAL MG2 0.000 . 5.500 2.095 1.783 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 6 VAL MG2 1 19 SER H 0.000 . 5.000 3.435 2.888 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 6 VAL MG2 1 20 VAL HA 0.000 . 4.400 2.753 2.205 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 6 VAL MG2 1 20 VAL MG2 0.000 . 5.500 2.056 1.790 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 6 VAL MG2 1 21 SER H 0.000 . 6.500 4.671 4.261 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 6 VAL MG2 1 93 LEU MD2 0.000 . 5.500 3.460 2.845 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 6 VAL H 1 105 VAL MG1 0.000 . 6.500 3.248 2.736 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 6 VAL H 1 105 VAL MG2 0.000 . 6.500 2.895 2.313 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 SER H 1 19 SER H 0.000 . 3.500 3.444 3.105 3.562 0.062 3 0 "[ . 1 . 2 . 3]" 1
90 1 7 SER H 1 20 VAL HA 0.000 . 3.500 3.412 3.009 3.580 0.080 9 0 "[ . 1 . 2 . 3]" 1
91 1 8 PRO HA 1 8 PRO HB3 0.000 . 2.900 2.317 2.308 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 8 PRO HA 1 9 ALA H 0.000 . 2.900 2.580 2.383 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 8 PRO HA 1 10 SER H 0.000 . 5.000 4.226 3.962 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 8 PRO HB3 1 9 ALA H 0.000 . 3.500 3.454 3.212 3.639 0.139 20 0 "[ . 1 . 2 . 3]" 1
95 1 8 PRO HB3 1 10 SER H 0.000 . 5.000 4.567 4.373 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 8 PRO HB3 1 12 LEU MD2 0.000 . 5.000 3.508 3.075 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 8 PRO HB2 1 8 PRO QD 0.000 . 3.900 3.534 3.438 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 8 PRO HB2 1 9 ALA H 0.000 . 3.500 2.404 1.839 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 8 PRO HB2 1 10 SER H 0.000 . 3.500 3.251 2.987 3.564 0.064 7 0 "[ . 1 . 2 . 3]" 1
100 1 8 PRO HB2 1 12 LEU MD2 0.000 . 4.400 2.183 1.848 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 8 PRO HB2 1 18 VAL MG1 0.000 . 6.500 3.220 2.938 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 8 PRO QD 1 12 LEU MD2 0.000 . 7.500 4.437 4.079 4.753 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 8 PRO QD 1 18 VAL HA 0.000 . 3.900 3.207 2.768 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 8 PRO QD 1 18 VAL MG1 0.000 . 5.400 3.173 2.348 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 8 PRO QD 1 19 SER H 0.000 . 6.000 2.429 2.083 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 8 PRO QG 1 12 LEU MD1 0.000 . 7.500 4.081 3.645 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 8 PRO QG 1 12 LEU MD2 0.000 . 5.400 2.885 2.541 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 PRO QG 1 16 GLN HE21 0.000 . 4.500 3.263 2.548 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 8 PRO QG 1 16 GLN HE22 0.000 . 3.900 3.561 2.509 4.112 0.212 29 0 "[ . 1 . 2 . 3]" 1
110 1 8 PRO QG 1 18 VAL MG1 0.000 . 5.400 1.807 1.639 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 8 PRO QG 1 19 SER H 0.000 . 6.000 3.393 2.868 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 9 ALA HA 1 10 SER HA 0.000 . 5.000 4.482 4.446 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 9 ALA HA 1 10 SER H 0.000 . 3.500 3.104 2.952 3.526 0.026 21 0 "[ . 1 . 2 . 3]" 1
114 1 9 ALA HA 1 12 LEU MD1 0.000 . 4.000 2.816 2.536 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 ALA HA 1 12 LEU MD2 0.000 . 4.400 3.267 2.986 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 9 ALA HA 1 105 VAL MG1 0.000 . 4.400 3.693 3.540 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 9 ALA HA 1 107 LEU HA 0.000 . 3.500 3.155 2.906 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 9 ALA HA 1 107 LEU MD2 0.000 . 4.400 2.424 1.971 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 9 ALA H 1 9 ALA MB 0.000 . 3.600 2.808 2.603 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 9 ALA MB 1 10 SER HA 0.000 . 7.500 4.419 4.059 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 9 ALA MB 1 10 SER H 0.000 . 4.400 3.436 2.638 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 9 ALA MB 1 12 LEU MD1 0.000 . 6.500 4.122 3.908 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 9 ALA MB 1 106 ALA H 0.000 . 6.500 4.283 3.490 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 9 ALA MB 1 107 LEU HA 0.000 . 4.400 3.552 3.251 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 9 ALA MB 1 107 LEU MD2 0.000 . 5.900 3.078 2.755 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 9 ALA MB 1 107 LEU H 0.000 . 7.500 5.417 5.165 5.723 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 9 ALA MB 1 108 THR H 0.000 . 6.500 4.962 4.681 5.196 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 9 ALA H 1 10 SER H 0.000 . 2.500 1.857 1.799 1.965 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 9 ALA H 1 12 LEU MD2 0.000 . 7.500 2.907 2.288 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 10 SER HA 1 11 GLY H 0.000 . 2.900 2.421 2.262 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 10 SER HA 1 12 LEU MD1 0.000 . 5.000 3.679 3.296 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 10 SER HA 1 12 LEU MD2 0.000 . 5.000 4.042 3.884 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 10 SER HA 1 12 LEU HG 0.000 . 3.500 3.052 2.854 3.225 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 10 SER HA 1 12 LEU H 0.000 . 5.000 3.643 3.244 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 10 SER HA 1 107 LEU MD2 0.000 . 6.500 5.014 4.584 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 10 SER HA 1 108 THR HB 0.000 . 2.500 2.024 1.804 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 10 SER HA 1 108 THR MG 0.000 . 5.000 3.567 3.033 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 10 SER HA 1 108 THR H 0.000 . 2.900 2.602 2.070 2.912 0.012 18 0 "[ . 1 . 2 . 3]" 1
139 1 10 SER H 1 10 SER QB 0.000 . 3.500 2.982 2.705 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 10 SER QB 1 108 THR MG 0.000 . 5.400 3.660 3.235 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 10 SER H 1 12 LEU MD1 0.000 . 7.500 3.448 2.897 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 10 SER H 1 12 LEU MD2 0.000 . 6.500 2.471 2.040 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 11 GLY QA 1 12 LEU H 0.000 . 4.500 2.697 2.587 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 11 GLY QA 1 108 THR H 0.000 . 6.000 5.361 5.124 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 11 GLY H 1 12 LEU MD1 0.000 . 7.500 4.872 4.512 5.182 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 11 GLY H 1 12 LEU MD2 0.000 . 6.500 4.640 4.443 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 11 GLY H 1 12 LEU HG 0.000 . 6.000 3.720 3.459 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 11 GLY H 1 12 LEU H 0.000 . 2.900 2.866 2.522 2.968 0.068 5 0 "[ . 1 . 2 . 3]" 1
149 1 11 GLY H 1 108 THR HB 0.000 . 3.500 2.475 1.862 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 11 GLY H 1 108 THR MG 0.000 . 7.500 3.055 2.028 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 11 GLY H 1 108 THR H 0.000 . 5.000 4.107 3.881 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 12 LEU HA 1 12 LEU MD1 0.000 . 4.400 3.787 3.727 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 12 LEU HA 1 12 LEU MD2 0.000 . 4.400 1.957 1.823 2.177 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 12 LEU HA 1 12 LEU HG 0.000 . 3.500 3.059 2.970 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 12 LEU HA 1 13 SER H 0.000 . 2.900 2.796 2.661 2.924 0.024 11 0 "[ . 1 . 2 . 3]" 1
156 1 12 LEU HA 1 109 PHE QE 0.000 . 7.000 5.367 4.420 5.794 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 12 LEU QB 1 13 SER H 0.000 . 4.500 1.955 1.831 2.094 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 12 LEU QB 1 109 PHE QD 0.000 . 6.500 3.264 2.666 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 12 LEU QB 1 109 PHE QE 0.000 . 5.900 3.154 2.362 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 12 LEU H 1 12 LEU MD1 0.000 . 4.400 3.484 3.302 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 12 LEU MD1 1 13 SER H 0.000 . 5.000 3.996 3.856 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 12 LEU MD1 1 16 GLN QG 0.000 . 7.500 5.005 3.604 5.488 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 12 LEU MD1 1 18 VAL MG1 0.000 . 5.900 2.908 2.503 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 12 LEU MD1 1 67 VAL HB 0.000 . 6.500 3.903 3.380 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 12 LEU MD1 1 67 VAL MG1 0.000 . 5.900 3.077 2.529 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 12 LEU MD1 1 67 VAL MG2 0.000 . 6.500 3.187 2.696 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 12 LEU MD1 1 107 LEU HA 0.000 . 4.400 2.806 2.301 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 12 LEU MD1 1 107 LEU QB 0.000 . 6.000 1.830 1.717 2.057 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 12 LEU MD1 1 107 LEU MD2 0.000 . 5.500 2.280 1.715 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 12 LEU MD1 1 107 LEU HG 0.000 . 6.500 4.135 3.819 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 12 LEU MD1 1 108 THR H 0.000 . 4.400 2.288 1.973 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 12 LEU MD1 1 109 PHE QD 0.000 . 7.000 3.877 3.366 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 12 LEU MD1 1 109 PHE QE 0.000 . 6.400 3.251 2.609 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 12 LEU MD1 1 109 PHE HZ 0.000 . 5.000 3.665 3.151 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 12 LEU MD1 1 110 GLY H 0.000 . 7.500 5.824 5.134 6.225 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 12 LEU H 1 12 LEU MD2 0.000 . 4.400 3.234 2.969 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 12 LEU MD2 1 13 SER H 0.000 . 4.400 3.495 3.319 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 12 LEU MD2 1 16 GLN HE22 0.000 . 5.000 2.378 1.828 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 12 LEU MD2 1 16 GLN QG 0.000 . 6.000 3.612 2.261 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 12 LEU MD2 1 18 VAL HB 0.000 . 6.500 4.416 4.103 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 LEU MD2 1 18 VAL MG1 0.000 . 5.500 2.461 2.190 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 12 LEU MD2 1 67 VAL MG1 0.000 . 8.000 4.209 3.827 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 LEU MD2 1 67 VAL MG2 0.000 . 5.900 3.706 3.442 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 12 LEU MD2 1 108 THR H 0.000 . 5.000 4.171 4.049 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 12 LEU H 1 12 LEU HG 0.000 . 2.900 2.070 1.848 2.279 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 12 LEU HG 1 109 PHE QD 0.000 . 7.000 4.990 4.375 5.435 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 12 LEU H 1 109 PHE HA 0.000 . 2.900 2.433 1.950 2.948 0.048 22 0 "[ . 1 . 2 . 3]" 1
188 1 12 LEU H 1 109 PHE QD 0.000 . 7.000 4.352 3.731 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 12 LEU H 1 110 GLY H 0.000 . 3.500 3.235 2.377 3.557 0.057 9 0 "[ . 1 . 2 . 3]" 1
190 1 13 SER HA 1 14 ASP H 0.000 . 2.500 2.338 2.279 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 13 SER HA 1 69 LYS QB 0.000 . 4.500 3.598 3.193 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 13 SER HA 1 109 PHE QD 0.000 . 4.900 2.512 2.100 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 13 SER H 1 13 SER QB 0.000 . 3.500 2.796 2.631 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 13 SER QB 1 14 ASP H 0.000 . 3.900 3.102 2.677 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 13 SER H 1 16 GLN QB 0.000 . 6.000 2.405 2.043 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 13 SER H 1 109 PHE QE 0.000 . 5.500 3.168 2.434 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 ASP H 1 14 ASP HA 0.000 . 2.900 2.855 2.814 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 ASP HA 1 15 GLY H 0.000 . 2.900 2.217 2.195 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 14 ASP HA 1 16 GLN H 0.000 . 3.500 3.548 3.478 3.610 0.110 2 0 "[ . 1 . 2 . 3]" 1
200 1 14 ASP HA 1 68 ARG HA 0.000 . 2.900 2.428 1.888 2.904 0.004 11 0 "[ . 1 . 2 . 3]" 1
201 1 14 ASP HA 1 68 ARG QG 0.000 . 6.000 3.968 3.355 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 14 ASP HA 1 69 LYS QB 0.000 . 3.900 3.096 2.514 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 14 ASP HA 1 69 LYS H 0.000 . 3.500 1.974 1.808 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 ASP HA 1 109 PHE QE 0.000 . 4.900 2.810 2.383 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 14 ASP HA 1 109 PHE HZ 0.000 . 5.000 4.354 4.066 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 14 ASP H 1 14 ASP QB 0.000 . 3.100 2.265 1.983 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 14 ASP QB 1 15 GLY H 0.000 . 4.500 3.532 3.043 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 14 ASP QB 1 69 LYS QB 0.000 . 4.900 2.204 1.869 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 14 ASP QB 1 69 LYS QG 0.000 . 5.500 4.013 1.838 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 14 ASP QB 1 69 LYS H 0.000 . 4.500 2.666 2.096 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 14 ASP H 1 69 LYS QB 0.000 . 4.500 2.862 2.607 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 14 ASP H 1 109 PHE QD 0.000 . 7.000 3.465 2.943 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 14 ASP H 1 109 PHE QE 0.000 . 5.500 3.417 3.170 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 15 GLY HA3 1 16 GLN H 0.000 . 2.900 2.995 2.955 3.052 0.152 3 0 "[ . 1 . 2 . 3]" 1
215 1 15 GLY HA3 1 66 VAL MG1 0.000 . 4.400 3.779 3.546 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 15 GLY HA2 1 16 GLN H 0.000 . 5.000 3.479 3.443 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 15 GLY HA2 1 66 VAL MG1 0.000 . 4.400 2.524 2.276 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 15 GLY HA2 1 68 ARG HA 0.000 . 5.000 4.665 4.112 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 15 GLY H 1 16 GLN H 0.000 . 2.900 2.825 2.641 2.927 0.027 13 0 "[ . 1 . 2 . 3]" 1
220 1 15 GLY H 1 66 VAL MG1 0.000 . 5.000 3.404 3.075 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 15 GLY H 1 67 VAL MG2 0.000 . 4.400 3.139 2.938 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 15 GLY H 1 68 ARG HA 0.000 . 3.500 2.654 2.102 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 15 GLY H 1 68 ARG QD 0.000 . 6.000 4.619 2.817 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 15 GLY H 1 69 LYS H 0.000 . 5.000 3.763 3.237 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 GLN HA 1 16 GLN QG 0.000 . 3.500 2.407 2.199 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 16 GLN HA 1 17 SER H 0.000 . 2.500 2.267 2.211 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 GLN HA 1 67 VAL MG2 0.000 . 5.000 4.178 3.983 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 GLN HA 1 67 VAL H 0.000 . 6.000 5.186 5.073 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 GLN H 1 16 GLN QB 0.000 . 3.500 2.147 2.092 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 16 GLN QB 1 17 SER H 0.000 . 4.500 3.660 3.490 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 GLN H 1 16 GLN QG 0.000 . 4.500 3.893 3.827 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 16 GLN QG 1 17 SER H 0.000 . 3.500 2.401 1.836 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 16 GLN QG 1 18 VAL MG1 0.000 . 5.400 3.106 2.297 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 16 GLN H 1 66 VAL MG1 0.000 . 6.500 4.073 3.830 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 16 GLN H 1 67 VAL MG2 0.000 . 4.400 3.133 2.939 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 17 SER HA 1 18 VAL H 0.000 . 2.500 2.227 2.204 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 17 SER HA 1 64 SER QB 0.000 . 6.000 5.004 4.591 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 17 SER HA 1 65 PHE QD 0.000 . 7.000 5.289 4.827 5.646 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 17 SER HA 1 66 VAL HA 0.000 . 2.900 1.947 1.826 2.224 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 SER HA 1 66 VAL MG1 0.000 . 5.000 3.270 3.052 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 SER HA 1 67 VAL MG1 0.000 . 5.000 3.917 3.776 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 17 SER HA 1 67 VAL H 0.000 . 3.500 3.500 3.260 3.587 0.087 26 0 "[ . 1 . 2 . 3]" 1
243 1 17 SER H 1 17 SER QB 0.000 . 3.100 2.503 2.110 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 SER QB 1 18 VAL H 0.000 . 4.500 3.445 2.606 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 SER QB 1 66 VAL MG1 0.000 . 7.500 3.481 2.936 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 17 SER QB 1 66 VAL MG2 0.000 . 5.400 2.688 2.227 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 18 VAL HA 1 18 VAL HB 0.000 . 2.900 2.476 2.419 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 18 VAL HA 1 19 SER H 0.000 . 2.900 2.400 2.321 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 18 VAL HB 1 19 SER H 0.000 . 2.900 2.765 2.235 2.973 0.073 7 0 "[ . 1 . 2 . 3]" 1
250 1 18 VAL MG1 1 19 SER H 0.000 . 5.000 3.905 3.715 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 18 VAL MG1 1 67 VAL MG1 0.000 . 5.500 2.648 2.160 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 18 VAL MG1 1 67 VAL MG2 0.000 . 5.500 2.740 2.302 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 18 VAL H 1 18 VAL MG2 0.000 . 4.000 1.957 1.836 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 18 VAL MG2 1 19 SER H 0.000 . 5.000 3.582 3.208 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 VAL MG2 1 20 VAL MG2 0.000 . 5.500 2.196 1.999 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 VAL MG2 1 65 PHE QB 0.000 . 6.000 2.593 2.268 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 18 VAL MG2 1 65 PHE QD 0.000 . 6.000 2.613 2.256 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 18 VAL MG2 1 65 PHE QE 0.000 . 8.500 4.189 3.904 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 VAL MG2 1 65 PHE H 0.000 . 4.400 2.807 2.250 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 VAL MG2 1 67 VAL HA 0.000 . 6.500 5.257 4.900 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 VAL MG2 1 67 VAL HB 0.000 . 6.500 5.120 4.930 5.273 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 VAL MG2 1 67 VAL MG1 0.000 . 5.500 2.509 2.286 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 VAL MG2 1 67 VAL H 0.000 . 6.500 4.932 4.612 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 18 VAL H 1 20 VAL MG2 0.000 . 6.500 4.480 4.188 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 18 VAL H 1 64 SER HA 0.000 . 5.000 4.858 4.286 5.074 0.074 29 0 "[ . 1 . 2 . 3]" 1
266 1 18 VAL H 1 65 PHE QD 0.000 . 7.000 4.283 3.794 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 18 VAL H 1 65 PHE QE 0.000 . 7.000 5.999 5.674 6.445 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 18 VAL H 1 65 PHE H 0.000 . 3.500 3.368 2.603 3.583 0.083 4 0 "[ . 1 . 2 . 3]" 1
269 1 18 VAL H 1 66 VAL HA 0.000 . 3.500 3.412 3.225 3.515 0.015 25 0 "[ . 1 . 2 . 3]" 1
270 1 18 VAL H 1 67 VAL MG2 0.000 . 7.500 3.809 3.246 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 18 VAL H 1 67 VAL H 0.000 . 5.000 4.832 4.628 5.052 0.052 14 0 "[ . 1 . 2 . 3]" 1
272 1 19 SER HA 1 20 VAL H 0.000 . 3.500 2.259 2.226 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 19 SER HA 1 64 SER HA 0.000 . 2.900 2.409 1.945 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 19 SER HA 1 64 SER QB 0.000 . 4.500 3.664 2.850 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 19 SER H 1 19 SER QB 0.000 . 3.500 2.297 2.023 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 19 SER QB 1 20 VAL H 0.000 . 4.500 3.765 3.161 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 20 VAL HA 1 21 SER H 0.000 . 2.500 2.434 2.374 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 20 VAL H 1 20 VAL HB 0.000 . 3.500 2.308 2.212 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 20 VAL HB 1 21 SER H 0.000 . 5.000 3.693 3.552 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 20 VAL HB 1 63 PHE QD 0.000 . 4.900 3.794 3.250 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 20 VAL HB 1 63 PHE QE 0.000 . 5.500 3.310 2.472 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 20 VAL HB 1 63 PHE H 0.000 . 3.500 3.447 3.248 3.575 0.075 9 0 "[ . 1 . 2 . 3]" 1
283 1 20 VAL H 1 20 VAL MG1 0.000 . 4.400 3.702 3.648 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 20 VAL MG1 1 21 SER HA 0.000 . 6.500 3.217 3.084 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 20 VAL MG1 1 21 SER H 0.000 . 4.400 1.823 1.755 1.938 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 20 VAL MG1 1 22 VAL QG 0.000 . 6.400 2.534 2.156 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 20 VAL MG1 1 33 ILE HB 0.000 . 7.500 4.733 4.101 5.332 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 20 VAL MG1 1 62 SER HA 0.000 . 6.500 4.112 3.789 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 20 VAL MG1 1 63 PHE QD 0.000 . 6.000 4.046 3.560 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 20 VAL MG1 1 63 PHE QE 0.000 . 6.400 2.905 2.323 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 20 VAL MG1 1 63 PHE H 0.000 . 5.000 3.912 3.676 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 20 VAL MG1 1 63 PHE HZ 0.000 . 4.400 2.840 2.428 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 20 VAL MG1 1 65 PHE QB 0.000 . 7.500 3.937 3.516 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 20 VAL H 1 20 VAL MG2 0.000 . 4.400 2.458 2.160 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 20 VAL MG2 1 21 SER H 0.000 . 4.400 3.694 3.618 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 20 VAL MG2 1 63 PHE QE 0.000 . 7.000 3.587 2.686 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 20 VAL MG2 1 63 PHE H 0.000 . 6.500 4.843 4.680 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 20 VAL MG2 1 63 PHE HZ 0.000 . 5.000 3.956 3.596 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 20 VAL MG2 1 65 PHE QB 0.000 . 5.400 2.223 1.919 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 20 VAL MG2 1 65 PHE H 0.000 . 4.400 3.268 2.860 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 20 VAL H 1 63 PHE QD 0.000 . 5.500 4.521 3.779 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 20 VAL H 1 63 PHE QE 0.000 . 7.000 4.869 4.147 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 20 VAL H 1 63 PHE H 0.000 . 3.500 3.557 3.171 3.654 0.154 8 0 "[ . 1 . 2 . 3]" 1
304 1 20 VAL H 1 64 SER HA 0.000 . 3.500 2.931 2.458 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 21 SER HA 1 22 VAL H 0.000 . 2.500 2.213 2.184 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 21 SER HA 1 61 ALA H 0.000 . 6.000 4.859 4.380 5.316 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 21 SER HA 1 62 SER HA 0.000 . 2.900 1.898 1.786 1.992 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 21 SER HA 1 62 SER QB 0.000 . 4.500 3.350 2.831 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 21 SER HA 1 63 PHE H 0.000 . 3.500 3.402 3.203 3.549 0.049 7 0 "[ . 1 . 2 . 3]" 1
310 1 21 SER QB 1 22 VAL H 0.000 . 4.500 3.587 3.233 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 21 SER QB 1 63 PHE HA 0.000 . 7.000 6.274 6.037 6.381 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 22 VAL H 1 22 VAL HA 0.000 . 2.900 2.974 2.954 2.986 0.086 15 0 "[ . 1 . 2 . 3]" 1
313 1 22 VAL HA 1 23 SER H 0.000 . 2.500 2.354 2.241 2.515 0.015 3 0 "[ . 1 . 2 . 3]" 1
314 1 22 VAL H 1 22 VAL HB 0.000 . 2.500 2.540 2.357 2.608 0.108 24 0 "[ . 1 . 2 . 3]" 1
315 1 22 VAL HB 1 23 SER H 0.000 . 5.000 3.765 3.307 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 22 VAL HB 1 53 PHE QE 0.000 . 5.500 2.935 2.164 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 22 VAL HB 1 60 ALA HA 0.000 . 5.000 4.542 3.977 4.948 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 22 VAL HB 1 61 ALA MB 0.000 . 4.400 2.700 1.990 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 22 VAL HB 1 61 ALA H 0.000 . 3.500 3.164 2.229 3.569 0.069 9 0 "[ . 1 . 2 . 3]" 1
320 1 22 VAL HB 1 63 PHE QE 0.000 . 7.000 4.390 3.885 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 22 VAL H 1 22 VAL QG 0.000 . 4.200 2.299 2.060 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 22 VAL QG 1 23 SER HA 0.000 . 5.900 3.707 3.165 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 22 VAL QG 1 23 SER QB 0.000 . 6.900 4.145 3.853 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 22 VAL QG 1 23 SER H 0.000 . 5.300 2.158 1.814 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 22 VAL QG 1 25 ALA MB 0.000 . 6.400 3.027 2.631 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 22 VAL QG 1 53 PHE QD 0.000 . 7.900 3.892 3.460 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 22 VAL QG 1 53 PHE QE 0.000 . 7.300 2.544 2.071 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 22 VAL QG 1 53 PHE HZ 0.000 . 5.300 2.479 1.894 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 22 VAL QG 1 60 ALA HA 0.000 . 7.400 4.461 3.971 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 22 VAL QG 1 61 ALA H 0.000 . 5.900 3.829 3.181 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 22 VAL QG 1 63 PHE QE 0.000 . 7.300 2.562 2.221 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 22 VAL QG 1 63 PHE HZ 0.000 . 5.900 3.676 3.380 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 22 VAL QG 1 102 LEU MD1 0.000 . 6.400 1.985 1.693 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 22 VAL H 1 55 THR MG 0.000 . 6.500 5.315 4.885 5.520 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 22 VAL H 1 61 ALA MB 0.000 . 5.000 3.169 2.604 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 22 VAL H 1 61 ALA H 0.000 . 3.500 3.267 2.692 3.506 0.006 8 0 "[ . 1 . 2 . 3]" 1
337 1 22 VAL H 1 62 SER HA 0.000 . 3.500 3.316 2.888 3.523 0.023 27 0 "[ . 1 . 2 . 3]" 1
338 1 23 SER HA 1 24 GLY H 0.000 . 2.900 2.377 2.199 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 23 SER HA 1 60 ALA HA 0.000 . 2.500 2.200 1.938 2.504 0.004 18 0 "[ . 1 . 2 . 3]" 1
340 1 23 SER HA 1 60 ALA MB 0.000 . 4.000 3.042 2.499 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 23 SER HA 1 61 ALA H 0.000 . 3.500 3.481 3.217 3.592 0.092 19 0 "[ . 1 . 2 . 3]" 1
342 1 23 SER QB 1 24 GLY H 0.000 . 3.900 3.107 2.459 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 23 SER QB 1 60 ALA HA 0.000 . 4.500 3.582 3.067 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 23 SER QB 1 60 ALA MB 0.000 . 5.400 3.067 2.317 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 23 SER H 1 60 ALA HA 0.000 . 5.000 4.744 4.235 5.034 0.034 5 0 "[ . 1 . 2 . 3]" 1
346 1 24 GLY QA 1 25 ALA H 0.000 . 4.500 2.841 2.691 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 24 GLY H 1 25 ALA H 0.000 . 3.500 2.673 2.255 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 24 GLY H 1 60 ALA HA 0.000 . 5.000 3.719 3.201 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 25 ALA H 1 25 ALA HA 0.000 . 2.900 2.867 2.796 2.965 0.065 20 0 "[ . 1 . 2 . 3]" 1
350 1 25 ALA HA 1 26 ALA H 0.000 . 3.500 3.131 2.652 3.530 0.030 24 0 "[ . 1 . 2 . 3]" 1
351 1 25 ALA HA 1 31 TYR QE 0.000 . 7.000 4.391 3.935 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 25 ALA HA 1 100 LEU MD1 0.000 . 4.400 3.257 2.815 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 25 ALA HA 1 100 LEU MD2 0.000 . 5.000 3.587 2.774 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 25 ALA HA 1 102 LEU MD2 0.000 . 6.500 4.069 3.343 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 25 ALA H 1 25 ALA MB 0.000 . 3.600 2.035 1.905 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 25 ALA MB 1 26 ALA H 0.000 . 4.000 2.088 1.791 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 25 ALA MB 1 31 TYR QE 0.000 . 6.400 2.265 1.781 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 25 ALA MB 1 102 LEU MD2 0.000 . 5.900 2.801 2.085 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 25 ALA H 1 55 THR MG 0.000 . 5.000 3.489 2.585 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 26 ALA HA 1 27 ALA H 0.000 . 2.500 2.206 2.142 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 26 ALA HA 1 28 GLY H 0.000 . 6.000 6.081 5.963 6.183 0.183 11 0 "[ . 1 . 2 . 3]" 1
362 1 26 ALA HA 1 56 ASP H 0.000 . 6.000 6.052 5.977 6.133 0.133 23 0 "[ . 1 . 2 . 3]" 1
363 1 26 ALA HA 1 59 GLY H 0.000 . 6.000 3.967 3.319 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 26 ALA MB 1 27 ALA H 0.000 . 4.000 3.108 2.918 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 26 ALA H 1 55 THR MG 0.000 . 5.000 2.838 2.100 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 27 ALA H 1 27 ALA HA 0.000 . 2.900 2.795 2.733 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 27 ALA HA 1 28 GLY H 0.000 . 2.500 2.219 2.203 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 27 ALA HA 1 29 GLU H 0.000 . 3.500 3.421 3.300 3.582 0.082 17 0 "[ . 1 . 2 . 3]" 1
369 1 27 ALA HA 1 54 THR MG 0.000 . 5.000 3.828 3.463 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 27 ALA HA 1 55 THR HG1 0.000 . 2.900 2.014 1.848 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 27 ALA MB 1 28 GLY H 0.000 . 4.000 3.145 2.969 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 27 ALA MB 1 55 THR HG1 0.000 . 5.000 3.694 3.579 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 27 ALA MB 1 58 SER H 0.000 . 5.000 3.970 3.719 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 27 ALA MB 1 59 GLY H 0.000 . 4.400 2.741 2.204 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 27 ALA H 1 28 GLY H 0.000 . 6.000 4.615 4.577 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 27 ALA H 1 55 THR HG1 0.000 . 3.500 3.549 3.484 3.610 0.110 27 0 "[ . 1 . 2 . 3]" 1
377 1 28 GLY QA 1 54 THR MG 0.000 . 5.400 3.634 3.149 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 28 GLY H 1 28 GLY HA3 0.000 . 2.900 2.973 2.962 2.981 0.081 21 0 "[ . 1 . 2 . 3]" 1
379 1 28 GLY H 1 28 GLY HA2 0.000 . 2.900 2.470 2.428 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 28 GLY HA2 1 29 GLU H 0.000 . 3.500 3.181 3.024 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 28 GLY H 1 29 GLU HA 0.000 . 5.000 4.795 4.653 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 28 GLY H 1 54 THR MG 0.000 . 7.500 2.891 2.515 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 28 GLY H 1 55 THR HG1 0.000 . 3.500 3.025 2.621 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 29 GLU HA 1 29 GLU QG 0.000 . 3.900 2.410 2.069 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 29 GLU HA 1 30 THR H 0.000 . 2.500 2.266 2.201 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 29 GLU H 1 29 GLU QB 0.000 . 3.500 2.525 2.267 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 29 GLU QB 1 30 THR H 0.000 . 3.500 2.993 2.713 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 29 GLU QB 1 31 TYR QD 0.000 . 5.900 3.924 3.229 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 29 GLU QB 1 31 TYR QE 0.000 . 5.500 2.504 1.714 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 29 GLU QG 1 30 THR H 0.000 . 6.000 4.106 2.853 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 29 GLU H 1 54 THR MG 0.000 . 6.500 2.721 2.320 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 29 GLU H 1 55 THR HG1 0.000 . 2.900 2.907 2.805 2.990 0.090 15 0 "[ . 1 . 2 . 3]" 1
393 1 29 GLU H 1 55 THR MG 0.000 . 6.500 4.577 4.034 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 29 GLU H 1 55 THR H 0.000 . 3.500 3.432 3.150 3.565 0.065 24 0 "[ . 1 . 2 . 3]" 1
395 1 30 THR HA 1 54 THR HA 0.000 . 3.500 1.981 1.845 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 30 THR HA 1 54 THR MG 0.000 . 4.400 3.068 2.613 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 30 THR H 1 30 THR HB 0.000 . 2.900 2.717 2.497 2.931 0.031 24 0 "[ . 1 . 2 . 3]" 1
398 1 30 THR MG 1 31 TYR QD 0.000 . 8.500 4.578 4.021 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 30 THR MG 1 31 TYR H 0.000 . 4.400 2.562 1.862 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 30 THR MG 1 32 TYR QE 0.000 . 6.400 3.628 2.217 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 30 THR MG 1 52 SER HA 0.000 . 6.500 3.967 3.313 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 30 THR MG 1 52 SER QB 0.000 . 5.400 2.799 2.016 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 30 THR MG 1 53 PHE HA 0.000 . 5.000 3.622 3.220 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 30 THR MG 1 53 PHE H 0.000 . 5.000 3.230 2.630 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 30 THR MG 1 54 THR HA 0.000 . 4.400 2.954 2.446 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 30 THR MG 1 54 THR HB 0.000 . 7.500 3.901 3.628 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 30 THR MG 1 54 THR MG 0.000 . 5.500 3.487 3.187 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 30 THR H 1 54 THR MG 0.000 . 6.500 4.084 3.630 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 31 TYR HA 1 32 TYR QD 0.000 . 5.500 2.847 2.331 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 31 TYR HA 1 32 TYR QE 0.000 . 7.000 3.801 3.150 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 31 TYR HA 1 32 TYR H 0.000 . 5.000 2.375 2.203 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 31 TYR HA 1 97 ASN QB 0.000 . 4.500 2.507 1.771 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 31 TYR QB 1 53 PHE QD 0.000 . 8.000 3.737 3.169 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 31 TYR QB 1 53 PHE QE 0.000 . 6.500 2.774 2.416 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 31 TYR QB 1 53 PHE HZ 0.000 . 6.000 2.582 2.163 3.122 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 31 TYR H 1 31 TYR QD 0.000 . 5.500 2.859 2.095 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 31 TYR QD 1 32 TYR H 0.000 . 7.000 3.887 3.246 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 31 TYR QD 1 53 PHE H 0.000 . 7.000 5.145 4.489 5.459 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 31 TYR QD 1 54 THR HA 0.000 . 5.500 3.715 2.779 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 31 TYR QD 1 55 THR MG 0.000 . 6.400 3.142 2.099 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 31 TYR QD 1 96 GLY QA 0.000 . 6.500 2.622 1.886 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 31 TYR QD 1 97 ASN QB 0.000 . 6.500 2.327 1.797 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 31 TYR QD 1 100 LEU QB 0.000 . 8.000 3.706 2.833 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 31 TYR QD 1 102 LEU MD1 0.000 . 6.400 2.736 2.101 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 31 TYR QD 1 102 LEU MD2 0.000 . 7.000 4.202 3.327 5.328 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 31 TYR QE 1 53 PHE QE 0.000 . 6.900 4.772 3.560 5.592 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 31 TYR QE 1 54 THR HA 0.000 . 7.000 4.731 3.911 5.531 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 31 TYR QE 1 55 THR MG 0.000 . 6.400 2.448 1.773 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 31 TYR QE 1 96 GLY QA 0.000 . 6.500 3.907 2.972 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 31 TYR QE 1 97 ASN QB 0.000 . 6.500 3.159 2.231 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 31 TYR QE 1 100 LEU QB 0.000 . 5.900 2.214 1.845 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 31 TYR QE 1 100 LEU MD2 0.000 . 7.000 2.580 1.802 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 31 TYR QE 1 100 LEU HG 0.000 . 5.500 3.873 1.903 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 31 TYR QE 1 102 LEU MD1 0.000 . 7.000 3.525 2.722 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 31 TYR QE 1 102 LEU MD2 0.000 . 7.000 3.942 3.186 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 31 TYR H 1 52 SER HA 0.000 . 5.000 4.684 4.171 5.066 0.066 3 0 "[ . 1 . 2 . 3]" 1
437 1 31 TYR H 1 53 PHE H 0.000 . 3.500 3.187 2.568 3.552 0.052 7 0 "[ . 1 . 2 . 3]" 1
438 1 31 TYR H 1 54 THR HA 0.000 . 3.500 3.262 2.959 3.549 0.049 25 0 "[ . 1 . 2 . 3]" 1
439 1 32 TYR HA 1 33 ILE MG 0.000 . 5.000 3.646 3.259 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 32 TYR HA 1 33 ILE H 0.000 . 3.500 2.248 2.206 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 32 TYR HA 1 52 SER HA 0.000 . 2.900 2.192 1.969 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 32 TYR HA 1 52 SER QB 0.000 . 6.000 3.415 2.534 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 32 TYR HA 1 53 PHE QD 0.000 . 7.000 3.857 3.290 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 32 TYR HA 1 53 PHE H 0.000 . 3.500 3.551 3.437 3.643 0.143 12 0 "[ . 1 . 2 . 3]" 1
445 1 32 TYR QB 1 52 SER HA 0.000 . 6.000 3.993 3.653 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 32 TYR H 1 32 TYR QD 0.000 . 5.500 2.148 1.850 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 32 TYR QD 1 52 SER HA 0.000 . 5.500 3.676 2.458 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 32 TYR QD 1 52 SER QB 0.000 . 6.500 2.807 1.810 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 32 TYR QD 1 97 ASN HA 0.000 . 5.500 2.650 1.871 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 32 TYR QD 1 97 ASN QB 0.000 . 8.000 3.508 2.254 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 32 TYR QE 1 52 SER HA 0.000 . 5.500 4.798 4.268 5.147 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 32 TYR QE 1 52 SER QB 0.000 . 6.500 3.055 2.539 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 32 TYR QE 1 97 ASN HA 0.000 . 7.000 3.729 2.683 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 32 TYR QE 1 97 ASN QB 0.000 . 6.500 3.615 2.133 4.834 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 33 ILE HA 1 34 ALA H 0.000 . 2.900 2.275 2.221 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 33 ILE HA 1 53 PHE QE 0.000 . 7.000 3.846 3.475 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 33 ILE HA 1 95 ALA MB 0.000 . 6.500 2.795 2.084 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 33 ILE HB 1 34 ALA H 0.000 . 5.000 4.178 3.987 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 33 ILE HB 1 53 PHE QD 0.000 . 5.500 3.594 2.824 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 33 ILE HB 1 53 PHE QE 0.000 . 4.900 2.071 1.864 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 33 ILE HB 1 53 PHE HZ 0.000 . 5.000 3.870 3.095 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 33 ILE HB 1 63 PHE QE 0.000 . 8.000 4.465 3.618 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 33 ILE HB 1 63 PHE HZ 0.000 . 6.000 3.445 2.686 4.211 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 33 ILE HB 1 95 ALA MB 0.000 . 5.000 2.628 2.100 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 33 ILE MG 1 34 ALA H 0.000 . 5.000 3.834 3.441 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 33 ILE MG 1 53 PHE QD 0.000 . 6.000 2.488 1.840 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 33 ILE MG 1 53 PHE QE 0.000 . 6.400 2.792 2.113 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 33 ILE MG 1 63 PHE QE 0.000 . 6.400 2.812 2.174 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 33 ILE MG 1 63 PHE HZ 0.000 . 4.400 2.691 2.017 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 33 ILE MG 1 65 PHE HZ 0.000 . 6.500 4.790 3.967 5.271 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 33 ILE H 1 51 THR H 0.000 . 5.000 3.832 3.163 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 33 ILE H 1 52 SER HA 0.000 . 3.500 3.276 2.695 3.522 0.022 7 0 "[ . 1 . 2 . 3]" 1
473 1 33 ILE H 1 53 PHE QD 0.000 . 7.000 3.363 2.872 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 33 ILE H 1 53 PHE HZ 0.000 . 6.000 5.535 4.453 6.011 0.011 26 0 "[ . 1 . 2 . 3]" 1
475 1 34 ALA HA 1 35 GLN H 0.000 . 2.900 2.334 2.251 2.445 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 34 ALA HA 1 65 PHE QE 0.000 . 5.500 3.637 2.825 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 34 ALA HA 1 65 PHE HZ 0.000 . 3.500 3.301 2.660 3.569 0.069 14 0 "[ . 1 . 2 . 3]" 1
478 1 34 ALA MB 1 35 GLN H 0.000 . 5.000 2.827 2.538 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 34 ALA H 1 95 ALA MB 0.000 . 6.500 4.097 3.410 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 35 GLN HA 1 36 CYS H 0.000 . 2.900 2.263 2.194 2.438 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 35 GLN HA 1 65 PHE QE 0.000 . 7.000 4.598 3.915 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 35 GLN HA 1 65 PHE HZ 0.000 . 6.000 4.745 4.111 5.650 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 35 GLN HA 1 92 ASN H 0.000 . 5.000 4.834 4.456 5.021 0.021 5 0 "[ . 1 . 2 . 3]" 1
484 1 35 GLN HA 1 93 LEU HA 0.000 . 2.900 2.225 1.811 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 35 GLN HA 1 93 LEU MD1 0.000 . 4.400 2.203 1.817 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 35 GLN HA 1 93 LEU MD2 0.000 . 6.500 4.675 4.300 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 35 GLN HA 1 94 GLY H 0.000 . 5.000 3.479 2.919 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 35 GLN QB 1 65 PHE QE 0.000 . 6.500 2.901 2.336 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 35 GLN QB 1 93 LEU MD1 0.000 . 6.000 2.713 1.819 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 35 GLN QB 1 93 LEU MD2 0.000 . 7.500 4.487 3.500 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 35 GLN QE 1 67 VAL HB 0.000 . 7.000 2.545 1.902 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 35 GLN QE 1 67 VAL MG2 0.000 . 6.000 3.959 3.479 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 35 GLN QE 1 68 ARG H 0.000 . 6.000 2.243 1.824 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 35 GLN QE 1 71 TYR QE 0.000 . 8.000 4.041 2.427 6.156 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 35 GLN QE 1 91 CYS QB 0.000 . 7.000 3.797 2.340 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 35 GLN QE 1 109 PHE QE 0.000 . 6.500 2.969 2.037 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 35 GLN QE 1 109 PHE HZ 0.000 . 4.500 2.696 1.993 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 35 GLN QG 1 36 CYS H 0.000 . 6.000 2.811 1.908 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 35 GLN QG 1 46 ASN H 0.000 . 6.000 4.799 2.944 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 35 GLN QG 1 65 PHE HZ 0.000 . 6.000 4.590 2.010 5.402 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 35 GLN QG 1 93 LEU MD1 0.000 . 6.000 3.456 1.835 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 35 GLN H 1 46 ASN QB 0.000 . 4.500 3.564 2.758 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 35 GLN H 1 65 PHE QD 0.000 . 7.000 5.993 5.537 6.406 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 35 GLN H 1 65 PHE QE 0.000 . 5.500 4.032 3.582 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 35 GLN H 1 65 PHE HZ 0.000 . 3.500 2.997 2.492 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 35 GLN H 1 93 LEU MD1 0.000 . 6.500 3.351 2.694 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 36 CYS HA 1 37 ALA H 0.000 . 2.900 2.493 2.256 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 36 CYS HA 1 45 CYS HA 0.000 . 2.900 1.917 1.814 2.088 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 36 CYS HA 1 45 CYS QB 0.000 . 4.500 3.911 3.407 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 36 CYS HA 1 46 ASN H 0.000 . 3.500 3.280 2.703 3.597 0.097 2 0 "[ . 1 . 2 . 3]" 1
511 1 36 CYS HA 1 71 TYR HH 0.000 . 2.900 2.261 1.907 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 36 CYS QB 1 37 ALA H 0.000 . 3.900 2.556 2.169 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 36 CYS QB 1 44 ALA H 0.000 . 6.000 4.307 3.235 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 36 CYS QB 1 45 CYS HA 0.000 . 6.000 2.659 1.948 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 36 CYS QB 1 71 TYR HH 0.000 . 4.500 3.986 3.813 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 36 CYS H 1 92 ASN QB 0.000 . 6.000 4.610 3.737 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 36 CYS H 1 92 ASN H 0.000 . 5.000 3.370 2.853 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 36 CYS H 1 93 LEU HA 0.000 . 3.500 3.059 2.487 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 36 CYS H 1 93 LEU MD1 0.000 . 5.000 3.932 3.687 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 37 ALA HA 1 38 PRO QD 0.000 . 3.900 2.011 1.909 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 37 ALA HA 1 38 PRO QG 0.000 . 4.500 3.926 3.823 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 37 ALA HA 1 91 CYS HA 0.000 . 2.900 2.848 2.141 3.022 0.122 13 0 "[ . 1 . 2 . 3]" 1
523 1 37 ALA HA 1 92 ASN H 0.000 . 6.000 3.495 2.730 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 37 ALA MB 1 38 PRO QD 0.000 . 5.400 2.491 1.995 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 37 ALA MB 1 84 VAL MG1 0.000 . 5.500 1.933 1.614 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 37 ALA MB 1 91 CYS HA 0.000 . 4.400 2.540 1.960 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 37 ALA MB 1 91 CYS QB 0.000 . 6.000 3.386 2.120 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 37 ALA MB 1 92 ASN H 0.000 . 5.000 3.670 2.987 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 37 ALA H 1 43 ASP HA 0.000 . 5.000 4.536 3.828 5.068 0.068 2 0 "[ . 1 . 2 . 3]" 1
530 1 37 ALA H 1 44 ALA H 0.000 . 3.500 3.270 2.663 3.543 0.043 4 0 "[ . 1 . 2 . 3]" 1
531 1 37 ALA H 1 45 CYS HA 0.000 . 3.500 3.323 2.865 3.579 0.079 9 0 "[ . 1 . 2 . 3]" 1
532 1 37 ALA H 1 71 TYR HH 0.000 . 3.500 2.708 1.951 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 38 PRO HA 1 38 PRO HB3 0.000 . 2.900 2.302 2.293 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 38 PRO HA 1 43 ASP HA 0.000 . 2.900 2.326 1.868 2.908 0.008 14 0 "[ . 1 . 2 . 3]" 1
535 1 38 PRO HB3 1 39 VAL H 0.000 . 3.500 3.573 3.509 3.642 0.142 21 0 "[ . 1 . 2 . 3]" 1
536 1 38 PRO HB2 1 39 VAL H 0.000 . 5.000 2.776 2.637 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 38 PRO QD 1 84 VAL MG1 0.000 . 7.500 4.647 4.134 5.298 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 38 PRO QD 1 84 VAL MG2 0.000 . 7.500 5.000 4.243 5.420 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 38 PRO QD 1 90 ALA MB 0.000 . 6.000 3.357 2.102 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 39 VAL HA 1 39 VAL HB 0.000 . 2.900 2.730 2.451 3.022 0.122 1 0 "[ . 1 . 2 . 3]" 1
541 1 39 VAL HA 1 40 GLY H 0.000 . 2.500 2.516 2.242 2.647 0.147 17 0 "[ . 1 . 2 . 3]" 1
542 1 39 VAL HA 1 84 VAL MG2 0.000 . 6.500 4.679 3.347 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 39 VAL HB 1 40 GLY H 0.000 . 5.000 4.524 4.156 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 39 VAL HB 1 44 ALA MB 0.000 . 5.000 3.479 2.511 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 39 VAL HB 1 84 VAL MG2 0.000 . 6.500 4.092 2.812 5.368 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 39 VAL H 1 39 VAL QG 0.000 . 4.200 2.470 1.914 3.158 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 39 VAL QG 1 40 GLY H 0.000 . 4.900 3.509 2.908 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 39 VAL QG 1 44 ALA MB 0.000 . 6.800 2.494 1.816 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 39 VAL QG 1 84 VAL MG2 0.000 . 6.400 2.814 1.682 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 39 VAL H 1 41 GLY H 0.000 . 3.500 2.729 2.331 3.515 0.015 2 0 "[ . 1 . 2 . 3]" 1
551 1 39 VAL H 1 42 GLN H 0.000 . 3.500 3.373 2.534 3.580 0.080 25 0 "[ . 1 . 2 . 3]" 1
552 1 39 VAL H 1 43 ASP HA 0.000 . 5.000 3.717 3.337 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 40 GLY QA 1 41 GLY H 0.000 . 3.500 2.826 2.493 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 40 GLY QA 1 42 GLN H 0.000 . 6.000 4.216 3.385 5.312 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 40 GLY H 1 41 GLY H 0.000 . 3.500 2.773 2.328 3.577 0.077 2 0 "[ . 1 . 2 . 3]" 1
556 1 41 GLY QA 1 42 GLN H 0.000 . 4.500 2.674 2.340 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 41 GLY H 1 42 GLN H 0.000 . 2.900 2.556 1.823 2.919 0.019 10 0 "[ . 1 . 2 . 3]" 1
558 1 42 GLN H 1 42 GLN QB 0.000 . 3.500 2.263 1.931 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 42 GLN QB 1 43 ASP H 0.000 . 3.900 2.319 1.853 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 42 GLN QB 1 75 THR MG 0.000 . 6.000 4.059 2.829 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 42 GLN H 1 42 GLN QG 0.000 . 4.500 3.065 1.844 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 43 ASP HA 1 44 ALA H 0.000 . 2.900 2.238 2.177 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 43 ASP H 1 75 THR MG 0.000 . 6.500 4.130 2.654 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 44 ALA HA 1 75 THR HA 0.000 . 5.000 3.351 2.988 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 44 ALA HA 1 75 THR MG 0.000 . 4.400 3.126 2.149 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 44 ALA HA 1 81 VAL MG1 0.000 . 5.000 3.893 3.525 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 44 ALA HA 1 81 VAL MG2 0.000 . 4.400 3.088 2.456 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 44 ALA H 1 44 ALA MB 0.000 . 3.600 2.252 1.961 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 44 ALA MB 1 73 GLY HA3 0.000 . 5.000 1.981 1.705 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 44 ALA MB 1 74 SER H 0.000 . 7.500 2.514 1.762 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 44 ALA MB 1 81 VAL HB 0.000 . 4.400 2.519 1.841 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 44 ALA MB 1 81 VAL MG1 0.000 . 5.500 2.382 1.894 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 44 ALA MB 1 84 VAL MG2 0.000 . 5.500 2.379 2.045 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 44 ALA H 1 75 THR MG 0.000 . 7.500 5.111 4.263 5.609 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 45 CYS HA 1 46 ASN H 0.000 . 3.500 2.492 2.319 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 45 CYS HA 1 71 TYR QE 0.000 . 5.500 3.752 3.303 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 45 CYS HA 1 71 TYR HH 0.000 . 3.500 2.990 2.273 3.513 0.013 7 0 "[ . 1 . 2 . 3]" 1
578 1 45 CYS QB 1 46 ASN QB 0.000 . 7.000 4.409 4.029 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 45 CYS QB 1 46 ASN H 0.000 . 4.500 2.626 2.227 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 45 CYS QB 1 71 TYR HH 0.000 . 7.000 4.983 4.263 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 46 ASN HA 1 47 PRO HB3 0.000 . 5.000 4.923 4.810 5.003 0.003 28 0 "[ . 1 . 2 . 3]" 1
582 1 46 ASN HA 1 47 PRO QD 0.000 . 3.500 1.907 1.800 1.943 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 46 ASN HA 1 71 TYR QD 0.000 . 4.900 3.087 2.333 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 46 ASN QB 1 47 PRO HA 0.000 . 6.000 4.816 4.579 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 46 ASN QB 1 49 THR HG1 0.000 . 4.500 2.712 1.847 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 46 ASN QB 1 71 TYR QE 0.000 . 6.500 3.002 2.188 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 47 PRO HA 1 47 PRO HB3 0.000 . 2.900 2.309 2.300 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 47 PRO HA 1 48 ALA H 0.000 . 3.500 3.459 3.281 3.575 0.075 12 0 "[ . 1 . 2 . 3]" 1
589 1 47 PRO HB2 1 48 ALA H 0.000 . 5.000 3.539 2.541 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 47 PRO QD 1 71 TYR QD 0.000 . 8.000 3.550 2.719 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 47 PRO QG 1 48 ALA H 0.000 . 6.000 2.812 1.871 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 48 ALA H 1 48 ALA HA 0.000 . 2.900 2.879 2.710 2.956 0.056 3 0 "[ . 1 . 2 . 3]" 1
593 1 48 ALA HA 1 49 THR H 0.000 . 3.500 3.543 3.276 3.593 0.093 19 0 "[ . 1 . 2 . 3]" 1
594 1 48 ALA H 1 48 ALA MB 0.000 . 3.600 2.068 1.903 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 48 ALA MB 1 49 THR HB 0.000 . 6.500 4.923 4.727 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 48 ALA MB 1 49 THR MG 0.000 . 5.500 2.793 2.326 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 48 ALA MB 1 49 THR H 0.000 . 5.000 2.442 1.896 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 48 ALA MB 1 50 ALA H 0.000 . 6.500 4.864 4.124 5.494 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 48 ALA H 1 49 THR H 0.000 . 3.500 2.721 2.301 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 49 THR HA 1 49 THR HB 0.000 . 2.500 2.561 2.457 2.736 0.236 3 0 "[ . 1 . 2 . 3]" 1
601 1 49 THR HB 1 65 PHE QE 0.000 . 5.500 2.808 1.954 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 49 THR HB 1 65 PHE HZ 0.000 . 3.500 2.912 1.897 3.503 0.003 13 0 "[ . 1 . 2 . 3]" 1
603 1 49 THR H 1 49 THR HG1 0.000 . 5.000 2.793 1.867 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 49 THR HG1 1 68 ARG QD 0.000 . 6.000 4.542 2.788 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 49 THR MG 1 50 ALA H 0.000 . 6.500 4.200 3.658 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 49 THR MG 1 65 PHE QE 0.000 . 8.500 3.895 2.563 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 49 THR MG 1 65 PHE HZ 0.000 . 6.500 3.958 2.899 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 49 THR MG 1 66 VAL MG1 0.000 . 6.500 3.811 2.981 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 49 THR MG 1 67 VAL H 0.000 . 6.500 4.962 4.347 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 49 THR MG 1 68 ARG QG 0.000 . 7.500 3.272 1.811 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 49 THR MG 1 68 ARG H 0.000 . 6.500 4.454 2.921 5.151 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 50 ALA HA 1 51 THR H 0.000 . 3.500 2.327 2.221 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 51 THR HA 1 51 THR HB 0.000 . 2.500 2.470 2.300 2.667 0.167 18 0 "[ . 1 . 2 . 3]" 1
614 1 51 THR H 1 51 THR MG 0.000 . 4.400 2.220 1.806 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 51 THR MG 1 52 SER H 0.000 . 5.000 3.843 3.314 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 51 THR MG 1 63 PHE QE 0.000 . 7.000 3.772 2.144 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 51 THR MG 1 65 PHE QD 0.000 . 6.000 2.614 1.868 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 51 THR MG 1 65 PHE QE 0.000 . 6.000 2.891 2.020 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 51 THR MG 1 65 PHE HZ 0.000 . 6.500 4.892 4.260 5.336 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 51 THR H 1 65 PHE QD 0.000 . 7.000 4.856 3.184 5.995 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 51 THR H 1 65 PHE QE 0.000 . 7.000 3.924 2.583 5.233 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 52 SER HA 1 53 PHE QD 0.000 . 7.000 3.132 2.472 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 52 SER HA 1 53 PHE H 0.000 . 2.900 2.258 2.207 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 52 SER QB 1 53 PHE H 0.000 . 4.500 3.374 2.487 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 53 PHE HA 1 54 THR H 0.000 . 6.000 2.332 2.210 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 53 PHE QB 1 54 THR H 0.000 . 4.500 2.888 2.207 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 53 PHE QB 1 63 PHE QE 0.000 . 9.000 3.751 2.861 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 53 PHE QB 1 63 PHE HZ 0.000 . 7.000 4.469 3.234 5.622 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 53 PHE H 1 53 PHE QD 0.000 . 5.500 2.246 1.872 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 53 PHE QD 1 54 THR HA 0.000 . 7.000 4.010 3.175 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 53 PHE QD 1 54 THR H 0.000 . 5.500 3.675 2.514 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 53 PHE QD 1 55 THR MG 0.000 . 7.000 3.938 3.277 4.438 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 53 PHE QD 1 61 ALA MB 0.000 . 6.000 2.430 1.707 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 53 PHE QD 1 63 PHE QD 0.000 . 7.500 4.141 2.849 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 53 PHE QD 1 63 PHE QE 0.000 . 7.500 3.456 2.631 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 53 PHE QD 1 63 PHE HZ 0.000 . 5.500 3.846 2.782 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 53 PHE QD 1 95 ALA MB 0.000 . 7.000 4.972 4.526 5.262 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 53 PHE H 1 53 PHE QE 0.000 . 7.000 3.805 3.609 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 53 PHE QE 1 55 THR MG 0.000 . 7.000 3.405 2.815 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 53 PHE QE 1 61 ALA MB 0.000 . 6.400 2.799 1.845 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 53 PHE QE 1 63 PHE QE 0.000 . 7.500 3.563 2.893 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 53 PHE QE 1 63 PHE HZ 0.000 . 5.500 3.696 2.680 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 53 PHE QE 1 95 ALA MB 0.000 . 6.400 3.075 2.698 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 53 PHE QE 1 102 LEU MD1 0.000 . 6.400 3.445 2.684 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 53 PHE HZ 1 61 ALA MB 0.000 . 6.500 4.672 3.715 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 53 PHE HZ 1 63 PHE QE 0.000 . 7.000 4.231 3.262 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 53 PHE HZ 1 63 PHE HZ 0.000 . 5.000 4.580 4.137 5.019 0.019 5 0 "[ . 1 . 2 . 3]" 1
648 1 53 PHE HZ 1 95 ALA MB 0.000 . 5.000 2.972 2.387 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 53 PHE HZ 1 102 LEU MD1 0.000 . 4.400 2.682 1.778 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 54 THR HA 1 55 THR MG 0.000 . 6.500 4.054 3.835 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 54 THR HA 1 55 THR H 0.000 . 2.500 2.341 2.271 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 54 THR HB 1 55 THR H 0.000 . 6.000 3.920 3.736 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 54 THR MG 1 55 THR H 0.000 . 4.400 2.035 1.830 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 54 THR MG 1 56 ASP H 0.000 . 6.500 5.009 4.601 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 55 THR HA 1 55 THR HB 0.000 . 2.900 2.648 2.601 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 55 THR HA 1 56 ASP H 0.000 . 2.500 2.513 2.308 2.646 0.146 23 0 "[ . 1 . 2 . 3]" 1
657 1 55 THR HB 1 55 THR HG1 0.000 . 2.900 2.125 2.076 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 55 THR HB 1 56 ASP H 0.000 . 2.900 2.389 2.035 2.953 0.053 9 0 "[ . 1 . 2 . 3]" 1
659 1 55 THR HB 1 59 GLY HA3 0.000 . 3.500 3.543 3.507 3.591 0.091 23 0 "[ . 1 . 2 . 3]" 1
660 1 55 THR HB 1 59 GLY HA2 0.000 . 2.500 1.896 1.835 2.087 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 55 THR HB 1 59 GLY H 0.000 . 3.500 3.531 3.413 3.581 0.081 22 0 "[ . 1 . 2 . 3]" 1
662 1 55 THR HB 1 60 ALA H 0.000 . 3.500 3.201 2.525 3.566 0.066 17 0 "[ . 1 . 2 . 3]" 1
663 1 55 THR HG1 1 56 ASP H 0.000 . 5.000 4.102 3.772 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 55 THR HG1 1 59 GLY HA3 0.000 . 5.000 4.487 3.924 5.030 0.030 15 0 "[ . 1 . 2 . 3]" 1
665 1 55 THR HG1 1 59 GLY H 0.000 . 6.000 4.591 4.238 5.092 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 55 THR H 1 55 THR MG 0.000 . 4.400 2.697 2.426 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 55 THR MG 1 56 ASP H 0.000 . 5.000 3.344 3.141 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 55 THR MG 1 59 GLY HA3 0.000 . 5.000 3.756 3.515 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 55 THR MG 1 59 GLY H 0.000 . 6.500 4.708 4.522 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 55 THR MG 1 60 ALA H 0.000 . 6.500 3.644 2.847 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 55 THR MG 1 61 ALA MB 0.000 . 5.500 2.506 1.880 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 55 THR H 1 61 ALA MB 0.000 . 6.500 4.257 3.248 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 56 ASP QB 1 57 ALA H 0.000 . 3.900 2.139 1.832 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 56 ASP H 1 59 GLY H 0.000 . 5.000 3.475 3.120 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 56 ASP H 1 60 ALA MB 0.000 . 6.500 4.053 3.483 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 56 ASP H 1 60 ALA H 0.000 . 3.500 2.370 1.856 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 56 ASP H 1 61 ALA MB 0.000 . 6.500 3.780 2.585 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 57 ALA H 1 57 ALA HA 0.000 . 2.900 2.865 2.848 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 57 ALA HA 1 58 SER H 0.000 . 3.500 3.502 3.448 3.552 0.052 17 0 "[ . 1 . 2 . 3]" 1
680 1 57 ALA HA 1 59 GLY H 0.000 . 3.500 3.605 3.552 3.662 0.162 24 0 "[ . 1 . 2 . 3]" 1
681 1 57 ALA H 1 57 ALA MB 0.000 . 3.600 2.048 1.909 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 57 ALA MB 1 58 SER QB 0.000 . 7.500 3.795 3.389 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 57 ALA MB 1 58 SER H 0.000 . 4.400 2.736 2.537 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 57 ALA MB 1 59 GLY H 0.000 . 5.000 4.218 4.084 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 57 ALA H 1 58 SER H 0.000 . 3.500 2.622 2.530 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 58 SER QB 1 60 ALA MB 0.000 . 6.000 2.863 2.277 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 58 SER H 1 59 GLY H 0.000 . 2.900 2.600 2.401 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 58 SER H 1 60 ALA H 0.000 . 5.000 3.567 3.137 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 59 GLY H 1 59 GLY HA3 0.000 . 2.900 2.847 2.771 2.944 0.044 26 0 "[ . 1 . 2 . 3]" 1
690 1 59 GLY HA3 1 60 ALA H 0.000 . 5.000 3.510 3.342 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 59 GLY H 1 59 GLY HA2 0.000 . 2.500 2.352 2.341 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 59 GLY HA2 1 60 ALA H 0.000 . 3.500 2.907 2.586 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 59 GLY H 1 60 ALA H 0.000 . 2.900 2.751 2.405 3.001 0.101 15 0 "[ . 1 . 2 . 3]" 1
694 1 60 ALA HA 1 61 ALA H 0.000 . 2.500 2.249 2.206 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 60 ALA H 1 60 ALA MB 0.000 . 3.600 2.410 2.049 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 60 ALA MB 1 61 ALA H 0.000 . 4.000 3.176 2.578 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 61 ALA HA 1 63 PHE QD 0.000 . 7.000 4.803 3.928 5.147 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 61 ALA MB 1 62 SER H 0.000 . 4.400 2.795 2.317 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 61 ALA MB 1 63 PHE QD 0.000 . 6.000 3.180 2.887 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 61 ALA MB 1 63 PHE QE 0.000 . 6.400 3.336 2.737 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 62 SER HA 1 63 PHE QB 0.000 . 6.000 4.310 4.198 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 62 SER HA 1 63 PHE QD 0.000 . 5.500 3.053 2.618 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 62 SER HA 1 63 PHE H 0.000 . 2.500 2.251 2.209 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 62 SER QB 1 63 PHE H 0.000 . 3.900 3.356 3.039 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 62 SER H 1 63 PHE QD 0.000 . 5.500 3.237 2.537 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 63 PHE HA 1 64 SER H 0.000 . 2.500 2.492 2.317 2.587 0.087 8 0 "[ . 1 . 2 . 3]" 1
707 1 63 PHE QB 1 64 SER H 0.000 . 3.900 2.428 2.209 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 63 PHE H 1 63 PHE QD 0.000 . 4.900 2.705 2.058 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 63 PHE QD 1 64 SER HA 0.000 . 7.000 4.138 3.465 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 63 PHE QD 1 64 SER H 0.000 . 4.900 3.283 2.941 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 63 PHE QD 1 65 PHE H 0.000 . 7.000 4.205 3.475 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 63 PHE H 1 63 PHE QE 0.000 . 7.000 4.054 3.699 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 63 PHE QE 1 65 PHE QB 0.000 . 6.500 2.119 1.837 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 63 PHE QE 1 65 PHE QD 0.000 . 6.500 3.392 2.897 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 63 PHE QE 1 65 PHE QE 0.000 . 7.500 5.207 4.967 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 64 SER HA 1 65 PHE QB 0.000 . 6.000 3.979 3.809 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 64 SER HA 1 65 PHE QD 0.000 . 7.000 5.844 5.754 5.906 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 64 SER HA 1 65 PHE H 0.000 . 2.500 2.229 2.191 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 64 SER H 1 64 SER QB 0.000 . 3.500 2.689 2.076 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 64 SER QB 1 65 PHE HA 0.000 . 6.000 4.371 3.992 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 64 SER QB 1 65 PHE H 0.000 . 3.900 3.275 2.651 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 65 PHE HA 1 65 PHE QE 0.000 . 4.900 4.582 4.386 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 65 PHE H 1 65 PHE HA 0.000 . 2.900 2.981 2.953 2.990 0.090 26 0 "[ . 1 . 2 . 3]" 1
724 1 65 PHE HA 1 66 VAL MG2 0.000 . 4.400 3.337 3.055 3.504 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 65 PHE HA 1 66 VAL H 0.000 . 2.900 2.259 2.212 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 65 PHE H 1 65 PHE QD 0.000 . 5.500 4.104 4.002 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 65 PHE QD 1 66 VAL HA 0.000 . 7.000 4.632 4.377 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 65 PHE QD 1 66 VAL HB 0.000 . 7.000 4.837 3.936 5.229 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 65 PHE QD 1 66 VAL H 0.000 . 7.000 3.079 2.022 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 65 PHE QD 1 67 VAL HB 0.000 . 7.000 5.629 5.290 6.113 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 65 PHE QD 1 67 VAL MG1 0.000 . 6.000 2.782 2.358 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 65 PHE QD 1 67 VAL H 0.000 . 7.000 5.397 4.974 5.746 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 65 PHE QD 1 93 LEU MD1 0.000 . 6.400 3.594 2.758 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 65 PHE QD 1 93 LEU MD2 0.000 . 6.400 3.119 2.550 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 65 PHE H 1 65 PHE QE 0.000 . 7.000 6.125 6.050 6.224 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 65 PHE QE 1 67 VAL MG1 0.000 . 6.400 2.282 1.844 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 65 PHE QE 1 67 VAL H 0.000 . 7.000 5.321 4.936 5.701 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 65 PHE QE 1 93 LEU MD1 0.000 . 6.400 2.635 1.889 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 65 PHE QE 1 93 LEU MD2 0.000 . 7.000 3.354 2.476 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 65 PHE HZ 1 67 VAL MG1 0.000 . 5.000 3.952 3.855 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 65 PHE HZ 1 93 LEU MD1 0.000 . 6.500 3.414 2.738 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 66 VAL HA 1 67 VAL MG1 0.000 . 5.000 3.518 3.226 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 66 VAL HA 1 67 VAL H 0.000 . 2.500 2.396 2.353 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 66 VAL H 1 66 VAL HB 0.000 . 2.900 2.524 2.431 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 66 VAL HB 1 67 VAL H 0.000 . 3.500 3.574 3.509 3.652 0.152 26 0 "[ . 1 . 2 . 3]" 1
746 1 66 VAL MG1 1 67 VAL MG2 0.000 . 5.500 3.158 3.035 3.301 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 66 VAL MG1 1 67 VAL H 0.000 . 4.400 1.935 1.825 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 66 VAL MG1 1 68 ARG QD 0.000 . 6.000 3.952 3.350 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 66 VAL MG1 1 68 ARG QG 0.000 . 6.000 3.594 2.905 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 66 VAL H 1 66 VAL MG2 0.000 . 4.000 2.052 1.848 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 66 VAL MG2 1 67 VAL H 0.000 . 5.000 3.963 3.851 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 67 VAL HA 1 67 VAL HB 0.000 . 2.900 2.557 2.467 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 67 VAL HA 1 68 ARG H 0.000 . 2.900 2.496 2.290 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 67 VAL HA 1 109 PHE HZ 0.000 . 6.000 4.450 4.134 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 67 VAL HB 1 68 ARG H 0.000 . 3.500 2.508 2.182 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 67 VAL HB 1 107 LEU MD1 0.000 . 6.500 3.757 3.366 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 67 VAL HB 1 109 PHE HZ 0.000 . 2.900 2.182 2.028 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 67 VAL H 1 67 VAL MG1 0.000 . 4.400 3.019 2.737 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 67 VAL MG1 1 68 ARG H 0.000 . 5.000 3.652 3.473 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 67 VAL MG1 1 93 LEU MD2 0.000 . 5.900 3.877 3.589 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 67 VAL MG1 1 107 LEU MD1 0.000 . 5.500 2.625 2.118 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 67 VAL MG1 1 107 LEU MD2 0.000 . 5.900 3.572 2.840 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 67 VAL MG1 1 109 PHE QE 0.000 . 6.400 4.262 4.066 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 67 VAL MG1 1 109 PHE HZ 0.000 . 4.400 3.670 3.588 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 67 VAL H 1 67 VAL MG2 0.000 . 4.400 1.914 1.827 2.063 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 67 VAL MG2 1 109 PHE HZ 0.000 . 4.000 2.834 2.406 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 68 ARG HA 1 68 ARG QD 0.000 . 4.500 3.626 1.889 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 68 ARG HA 1 68 ARG HE 0.000 . 5.000 4.526 3.209 5.093 0.093 7 0 "[ . 1 . 2 . 3]" 1
769 1 68 ARG HA 1 69 LYS H 0.000 . 2.900 2.238 2.186 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 68 ARG HA 1 70 SER H 0.000 . 5.000 3.928 3.460 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 68 ARG HA 1 109 PHE QE 0.000 . 7.000 4.029 3.511 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 68 ARG QB 1 70 SER H 0.000 . 4.500 3.415 2.744 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 68 ARG QB 1 71 TYR QD 0.000 . 8.000 3.330 2.469 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 68 ARG H 1 109 PHE QE 0.000 . 5.500 4.140 3.803 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 68 ARG H 1 109 PHE HZ 0.000 . 3.500 3.081 2.639 3.515 0.015 20 0 "[ . 1 . 2 . 3]" 1
776 1 69 LYS HA 1 69 LYS QD 0.000 . 4.500 3.904 3.368 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 69 LYS HA 1 69 LYS QG 0.000 . 3.500 2.397 2.139 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 69 LYS HA 1 70 SER H 0.000 . 5.000 3.569 3.452 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 69 LYS HA 1 86 CYS H 0.000 . 5.000 4.074 3.601 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 69 LYS HA 1 109 PHE QD 0.000 . 4.900 3.154 2.904 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 69 LYS HA 1 109 PHE QE 0.000 . 4.900 2.882 2.638 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 69 LYS HA 1 109 PHE HZ 0.000 . 3.500 3.237 3.038 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 69 LYS QB 1 70 SER H 0.000 . 6.000 2.455 2.060 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 69 LYS QB 1 109 PHE QB 0.000 . 4.900 3.499 2.784 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 69 LYS QB 1 109 PHE QD 0.000 . 6.500 2.277 1.899 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 69 LYS QB 1 109 PHE QE 0.000 . 6.500 2.560 2.049 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 69 LYS QD 1 109 PHE QB 0.000 . 5.500 3.095 1.883 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 69 LYS QD 1 109 PHE QD 0.000 . 5.900 3.309 1.837 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 69 LYS QE 1 109 PHE QB 0.000 . 7.000 3.575 2.187 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 69 LYS QE 1 109 PHE QD 0.000 . 6.500 3.990 2.227 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 69 LYS QG 1 87 ALA MB 0.000 . 5.400 3.314 2.409 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 69 LYS QG 1 109 PHE QD 0.000 . 5.900 2.662 1.942 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 69 LYS QG 1 109 PHE QE 0.000 . 5.900 3.853 3.527 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 69 LYS QG 1 109 PHE HZ 0.000 . 6.000 4.967 4.554 5.289 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 69 LYS H 1 70 SER H 0.000 . 3.500 3.071 2.754 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 69 LYS H 1 109 PHE QE 0.000 . 5.500 2.550 1.980 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 69 LYS H 1 109 PHE HZ 0.000 . 3.500 3.528 3.272 3.612 0.112 29 0 "[ . 1 . 2 . 3]" 1
798 1 70 SER HA 1 71 TYR QD 0.000 . 7.000 3.430 2.932 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 70 SER HA 1 71 TYR H 0.000 . 2.500 2.279 2.203 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 70 SER HA 1 84 VAL MG1 0.000 . 6.500 3.653 3.463 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 70 SER HA 1 85 ASP HA 0.000 . 2.900 2.186 1.985 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 70 SER HA 1 85 ASP QB 0.000 . 4.500 3.998 3.662 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 70 SER HA 1 86 CYS H 0.000 . 3.500 2.830 2.382 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 70 SER QB 1 71 TYR H 0.000 . 3.900 3.187 2.786 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 70 SER QB 1 85 ASP HA 0.000 . 3.900 3.041 2.589 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 70 SER QB 1 85 ASP QB 0.000 . 7.000 3.620 3.010 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 70 SER H 1 109 PHE QE 0.000 . 7.000 5.132 4.716 5.503 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 70 SER H 1 109 PHE HZ 0.000 . 6.000 5.857 5.353 6.079 0.079 7 0 "[ . 1 . 2 . 3]" 1
809 1 71 TYR HA 1 72 THR H 0.000 . 2.900 2.322 2.216 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 71 TYR QB 1 72 THR H 0.000 . 3.900 3.000 2.648 3.347 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 71 TYR QD 1 72 THR H 0.000 . 5.500 3.329 2.818 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 71 TYR QE 1 73 GLY HA3 0.000 . 4.900 3.282 2.296 4.311 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 71 TYR QE 1 73 GLY HA2 0.000 . 4.900 2.193 1.855 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 71 TYR QE 1 84 VAL MG1 0.000 . 7.000 2.427 1.907 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 71 TYR QE 1 84 VAL MG2 0.000 . 7.000 3.254 2.681 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 71 TYR HH 1 84 VAL MG1 0.000 . 5.000 3.153 2.604 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 71 TYR HH 1 84 VAL MG2 0.000 . 4.400 3.310 2.852 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 71 TYR H 1 84 VAL HB 0.000 . 3.500 3.470 3.203 3.577 0.077 8 0 "[ . 1 . 2 . 3]" 1
819 1 71 TYR H 1 84 VAL MG1 0.000 . 4.400 3.282 2.925 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 71 TYR H 1 84 VAL H 0.000 . 3.500 3.502 3.344 3.649 0.149 11 0 "[ . 1 . 2 . 3]" 1
821 1 71 TYR H 1 85 ASP HA 0.000 . 3.500 3.316 2.954 3.558 0.058 24 0 "[ . 1 . 2 . 3]" 1
822 1 72 THR HA 1 72 THR HB 0.000 . 2.900 2.980 2.943 3.017 0.117 5 0 "[ . 1 . 2 . 3]" 1
823 1 72 THR HA 1 73 GLY H 0.000 . 2.900 2.236 2.193 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 72 THR HA 1 83 SER HA 0.000 . 2.900 1.906 1.797 2.131 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 72 THR HA 1 83 SER QB 0.000 . 3.900 3.168 2.841 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 72 THR HA 1 84 VAL H 0.000 . 3.500 2.473 2.298 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 72 THR H 1 72 THR HB 0.000 . 2.900 2.815 2.473 2.939 0.039 29 0 "[ . 1 . 2 . 3]" 1
828 1 72 THR H 1 72 THR MG 0.000 . 4.400 3.617 3.568 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 72 THR MG 1 73 GLY H 0.000 . 5.000 2.846 1.899 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 72 THR MG 1 82 GLY HA2 0.000 . 6.500 4.099 3.750 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 72 THR MG 1 82 GLY H 0.000 . 6.500 4.232 3.532 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 72 THR MG 1 83 SER HA 0.000 . 4.400 2.243 1.990 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 72 THR MG 1 83 SER H 0.000 . 5.000 3.990 3.779 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 72 THR MG 1 84 VAL H 0.000 . 5.000 3.943 3.635 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 73 GLY HA3 1 74 SER H 0.000 . 2.900 2.855 2.633 3.003 0.103 11 0 "[ . 1 . 2 . 3]" 1
836 1 73 GLY HA3 1 84 VAL MG2 0.000 . 5.000 2.276 1.839 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 73 GLY HA2 1 74 SER H 0.000 . 2.900 2.372 2.239 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 73 GLY HA2 1 84 VAL HB 0.000 . 5.000 4.027 3.533 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 73 GLY HA2 1 84 VAL MG2 0.000 . 5.000 3.285 2.713 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 73 GLY H 1 82 GLY H 0.000 . 6.000 4.201 3.777 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 73 GLY H 1 83 SER HA 0.000 . 3.500 2.265 1.833 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 73 GLY H 1 84 VAL MG2 0.000 . 5.000 2.718 2.349 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 73 GLY H 1 84 VAL H 0.000 . 5.000 2.971 2.406 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 74 SER HA 1 75 THR MG 0.000 . 5.000 3.680 2.957 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 74 SER HA 1 75 THR H 0.000 . 2.900 2.332 2.204 3.029 0.129 28 0 "[ . 1 . 2 . 3]" 1
846 1 74 SER HA 1 80 PRO HA 0.000 . 2.900 2.925 2.749 3.014 0.114 8 0 "[ . 1 . 2 . 3]" 1
847 1 74 SER HA 1 80 PRO QG 0.000 . 7.000 5.869 5.190 6.106 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 74 SER HA 1 81 VAL HB 0.000 . 2.900 2.715 2.122 3.004 0.104 8 0 "[ . 1 . 2 . 3]" 1
849 1 74 SER HA 1 81 VAL MG2 0.000 . 4.000 2.450 1.837 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 74 SER QB 1 80 PRO HA 0.000 . 3.900 2.899 2.030 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 75 THR HA 1 75 THR HB 0.000 . 2.900 2.493 2.355 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 75 THR HA 1 76 PRO QD 0.000 . 3.900 2.054 1.925 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 75 THR HA 1 81 VAL MG2 0.000 . 5.000 3.710 3.265 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 75 THR HB 1 76 PRO QD 0.000 . 4.500 2.242 1.824 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 75 THR HB 1 76 PRO QG 0.000 . 6.000 3.876 3.377 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 75 THR HB 1 81 VAL MG2 0.000 . 6.500 4.098 3.788 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 75 THR MG 1 76 PRO QG 0.000 . 7.500 4.725 4.372 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 75 THR MG 1 79 THR H 0.000 . 6.500 4.220 2.938 5.410 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 75 THR MG 1 81 VAL MG1 0.000 . 5.500 3.567 3.003 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 75 THR MG 1 81 VAL MG2 0.000 . 5.500 1.798 1.578 2.113 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 75 THR MG 1 81 VAL H 0.000 . 6.500 4.411 3.256 5.262 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 75 THR H 1 81 VAL MG2 0.000 . 6.500 2.073 1.773 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 76 PRO HA 1 76 PRO HB3 0.000 . 2.900 2.305 2.291 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 76 PRO QD 1 77 GLU H 0.000 . 6.000 2.800 2.485 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 76 PRO QG 1 77 GLU H 0.000 . 4.500 2.793 1.865 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 77 GLU HA 1 78 GLY H 0.000 . 3.500 2.975 2.215 3.578 0.078 2 0 "[ . 1 . 2 . 3]" 1
867 1 78 GLY QA 1 79 THR H 0.000 . 6.000 2.488 2.161 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 78 GLY H 1 79 THR H 0.000 . 3.500 2.880 1.855 3.548 0.048 18 0 "[ . 1 . 2 . 3]" 1
869 1 79 THR HA 1 80 PRO QD 0.000 . 3.500 2.016 1.877 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 79 THR H 1 79 THR HB 0.000 . 3.500 3.224 2.190 3.672 0.172 6 0 "[ . 1 . 2 . 3]" 1
871 1 79 THR MG 1 80 PRO QD 0.000 . 5.400 2.695 1.771 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 80 PRO HA 1 80 PRO HB3 0.000 . 2.900 2.311 2.306 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 80 PRO HA 1 80 PRO QG 0.000 . 3.900 3.516 3.505 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 80 PRO HA 1 81 VAL MG2 0.000 . 5.000 3.443 3.015 3.859 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 80 PRO HA 1 81 VAL H 0.000 . 2.900 2.358 2.200 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 80 PRO HB3 1 81 VAL H 0.000 . 5.000 3.831 3.254 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 80 PRO HB2 1 81 VAL H 0.000 . 5.000 3.142 2.021 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 81 VAL HA 1 81 VAL HB 0.000 . 2.900 3.015 3.005 3.021 0.121 10 0 "[ . 1 . 2 . 3]" 1
879 1 81 VAL HA 1 82 GLY H 0.000 . 3.500 3.527 3.447 3.569 0.069 6 0 "[ . 1 . 2 . 3]" 1
880 1 81 VAL H 1 81 VAL HB 0.000 . 3.500 2.459 2.251 2.670 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 81 VAL HB 1 82 GLY H 0.000 . 2.900 2.326 1.847 2.942 0.042 23 0 "[ . 1 . 2 . 3]" 1
882 1 81 VAL MG1 1 82 GLY HA2 0.000 . 6.500 4.411 3.792 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 81 VAL MG1 1 82 GLY H 0.000 . 5.000 3.004 2.056 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 81 VAL MG2 1 82 GLY H 0.000 . 5.000 3.729 3.442 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 81 VAL H 1 82 GLY H 0.000 . 3.500 2.479 1.829 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 82 GLY HA3 1 83 SER H 0.000 . 2.500 2.476 2.370 2.646 0.146 23 0 "[ . 1 . 2 . 3]" 1
887 1 82 GLY H 1 82 GLY HA2 0.000 . 2.900 2.768 2.565 2.959 0.059 17 0 "[ . 1 . 2 . 3]" 1
888 1 82 GLY HA2 1 83 SER H 0.000 . 2.900 2.754 2.544 2.903 0.003 26 0 "[ . 1 . 2 . 3]" 1
889 1 83 SER HA 1 84 VAL HB 0.000 . 5.000 4.211 4.123 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 83 SER HA 1 84 VAL MG2 0.000 . 5.000 3.712 3.474 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 83 SER HA 1 84 VAL H 0.000 . 2.500 2.388 2.274 2.516 0.016 7 0 "[ . 1 . 2 . 3]" 1
892 1 83 SER H 1 83 SER QB 0.000 . 3.100 2.535 2.047 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 83 SER QB 1 84 VAL H 0.000 . 3.500 2.767 2.433 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 84 VAL HA 1 85 ASP H 0.000 . 2.500 2.342 2.284 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 84 VAL H 1 84 VAL HB 0.000 . 2.900 2.449 2.277 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 84 VAL HB 1 85 ASP H 0.000 . 5.000 4.062 3.925 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 84 VAL H 1 84 VAL MG1 0.000 . 4.400 3.689 3.609 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 84 VAL MG1 1 85 ASP HA 0.000 . 4.400 3.217 3.012 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 84 VAL MG1 1 85 ASP H 0.000 . 4.400 2.075 1.850 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 84 VAL MG1 1 89 ALA MB 0.000 . 5.900 3.388 2.736 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 84 VAL H 1 84 VAL MG2 0.000 . 4.400 3.120 2.902 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 84 VAL MG2 1 85 ASP H 0.000 . 4.400 3.603 3.535 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 85 ASP HA 1 86 CYS H 0.000 . 2.900 2.262 2.200 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 85 ASP H 1 85 ASP QB 0.000 . 3.500 2.890 2.614 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 85 ASP QB 1 86 CYS H 0.000 . 4.500 3.746 3.337 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 85 ASP QB 1 87 ALA H 0.000 . 4.500 3.052 2.474 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 85 ASP H 1 86 CYS H 0.000 . 6.000 3.797 3.343 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 85 ASP H 1 89 ALA MB 0.000 . 5.000 3.107 2.317 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 86 CYS HA 1 87 ALA H 0.000 . 3.500 3.323 3.073 3.509 0.009 27 0 "[ . 1 . 2 . 3]" 1
910 1 86 CYS HA 1 88 THR H 0.000 . 5.000 3.915 2.980 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 86 CYS HA 1 89 ALA H 0.000 . 3.500 2.772 2.387 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 86 CYS HA 1 109 PHE QD 0.000 . 7.000 4.679 3.969 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 86 CYS HA 1 109 PHE QE 0.000 . 7.000 5.801 5.172 6.411 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 86 CYS QB 1 91 CYS QB 0.000 . 5.500 2.949 1.800 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 86 CYS QB 1 109 PHE QD 0.000 . 5.900 2.521 1.795 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 86 CYS QB 1 109 PHE QE 0.000 . 5.900 3.384 2.671 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 86 CYS H 1 87 ALA H 0.000 . 3.500 2.773 2.533 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 86 CYS H 1 89 ALA MB 0.000 . 5.000 4.015 3.539 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 87 ALA H 1 87 ALA HA 0.000 . 2.900 2.828 2.772 2.922 0.022 1 0 "[ . 1 . 2 . 3]" 1
920 1 87 ALA HA 1 88 THR H 0.000 . 3.500 3.525 3.244 3.566 0.066 28 0 "[ . 1 . 2 . 3]" 1
921 1 87 ALA HA 1 89 ALA H 0.000 . 5.000 4.534 4.236 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 87 ALA H 1 87 ALA MB 0.000 . 3.600 2.040 1.910 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 87 ALA MB 1 88 THR MG 0.000 . 5.900 2.728 2.217 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 87 ALA MB 1 88 THR H 0.000 . 4.400 2.452 2.111 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 87 ALA MB 1 89 ALA H 0.000 . 5.000 3.971 3.665 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 87 ALA H 1 88 THR MG 0.000 . 5.000 3.949 3.367 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 87 ALA H 1 88 THR H 0.000 . 2.900 2.763 2.509 2.934 0.034 19 0 "[ . 1 . 2 . 3]" 1
928 1 87 ALA H 1 89 ALA H 0.000 . 3.500 3.537 3.404 3.647 0.147 27 0 "[ . 1 . 2 . 3]" 1
929 1 88 THR HA 1 88 THR HB 0.000 . 2.900 2.438 2.375 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 88 THR HA 1 89 ALA H 0.000 . 3.500 3.263 3.128 3.510 0.010 1 0 "[ . 1 . 2 . 3]" 1
931 1 88 THR H 1 88 THR HB 0.000 . 3.500 3.159 2.818 3.513 0.013 1 0 "[ . 1 . 2 . 3]" 1
932 1 88 THR HB 1 89 ALA H 0.000 . 5.000 4.390 3.937 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 88 THR H 1 88 THR MG 0.000 . 4.400 1.938 1.812 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 88 THR MG 1 89 ALA MB 0.000 . 5.500 2.988 2.612 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 88 THR MG 1 89 ALA H 0.000 . 4.400 2.777 2.038 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 88 THR H 1 89 ALA MB 0.000 . 6.500 3.326 3.046 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 88 THR H 1 89 ALA H 0.000 . 2.500 1.946 1.775 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 89 ALA H 1 89 ALA HA 0.000 . 2.900 2.967 2.829 2.993 0.093 8 0 "[ . 1 . 2 . 3]" 1
939 1 89 ALA HA 1 90 ALA MB 0.000 . 5.000 3.934 3.842 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 89 ALA HA 1 90 ALA H 0.000 . 2.500 2.506 2.239 2.651 0.151 10 0 "[ . 1 . 2 . 3]" 1
941 1 89 ALA H 1 89 ALA MB 0.000 . 3.600 2.239 1.971 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 89 ALA MB 1 90 ALA H 0.000 . 5.000 2.487 2.144 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 90 ALA HA 1 91 CYS H 0.000 . 2.900 2.293 2.209 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 90 ALA H 1 90 ALA MB 0.000 . 3.600 2.178 1.958 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 90 ALA MB 1 91 CYS H 0.000 . 6.500 3.416 2.634 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 91 CYS HA 1 92 ASN QB 0.000 . 6.000 4.183 3.834 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 91 CYS HA 1 92 ASN H 0.000 . 2.500 2.393 2.209 2.520 0.020 16 0 "[ . 1 . 2 . 3]" 1
948 1 91 CYS QB 1 92 ASN H 0.000 . 4.500 2.861 2.428 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 91 CYS QB 1 107 LEU QB 0.000 . 7.000 2.791 2.183 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 91 CYS QB 1 109 PHE QD 0.000 . 6.500 3.446 2.190 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 91 CYS QB 1 109 PHE QE 0.000 . 8.000 3.150 2.287 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 91 CYS QB 1 109 PHE HZ 0.000 . 6.000 5.157 4.329 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 92 ASN HA 1 93 LEU H 0.000 . 2.900 2.470 2.202 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 92 ASN HA 1 106 ALA HA 0.000 . 2.900 2.071 1.889 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 92 ASN HA 1 106 ALA MB 0.000 . 4.400 3.594 3.299 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 92 ASN HA 1 107 LEU MD1 0.000 . 6.500 3.451 2.638 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 92 ASN HA 1 107 LEU MD2 0.000 . 5.000 4.143 3.947 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 92 ASN HA 1 107 LEU HG 0.000 . 2.900 2.618 2.398 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 92 ASN HA 1 107 LEU H 0.000 . 3.500 2.150 1.881 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 92 ASN QB 1 93 LEU H 0.000 . 6.000 2.577 2.105 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 92 ASN QB 1 104 HIS QB 0.000 . 7.000 3.992 3.288 5.141 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 92 ASN QB 1 105 VAL H 0.000 . 6.000 4.988 4.488 5.488 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 92 ASN QB 1 106 ALA HA 0.000 . 3.900 2.664 2.091 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 92 ASN QB 1 107 LEU HG 0.000 . 6.000 4.391 4.174 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 92 ASN QB 1 107 LEU H 0.000 . 4.500 3.713 3.112 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 93 LEU HA 1 93 LEU MD1 0.000 . 4.400 2.030 1.837 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 93 LEU HA 1 94 GLY HA3 0.000 . 5.000 4.441 4.405 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 93 LEU HA 1 94 GLY H 0.000 . 3.500 2.282 2.227 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 93 LEU MD1 1 94 GLY HA2 0.000 . 6.500 4.425 3.909 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 93 LEU MD1 1 94 GLY H 0.000 . 5.000 2.309 1.824 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 93 LEU MD1 1 107 LEU MD1 0.000 . 5.500 3.074 2.393 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 93 LEU MD2 1 105 VAL H 0.000 . 5.000 3.816 3.138 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 93 LEU MD2 1 107 LEU MD2 0.000 . 5.500 3.004 2.533 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 93 LEU HG 1 94 GLY H 0.000 . 3.500 2.762 2.415 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 93 LEU H 1 105 VAL H 0.000 . 5.000 3.641 3.000 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 93 LEU H 1 106 ALA HA 0.000 . 3.500 3.012 2.523 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 93 LEU H 1 107 LEU MD1 0.000 . 7.500 3.513 2.142 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 93 LEU H 1 107 LEU MD2 0.000 . 7.500 4.011 3.178 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 93 LEU H 1 107 LEU HG 0.000 . 5.000 3.162 2.148 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 94 GLY HA3 1 95 ALA H 0.000 . 5.000 2.962 2.813 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 94 GLY HA2 1 104 HIS HA 0.000 . 5.000 2.090 1.841 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 94 GLY HA2 1 105 VAL H 0.000 . 3.500 3.398 2.988 3.601 0.101 21 0 "[ . 1 . 2 . 3]" 1
983 1 95 ALA MB 1 102 LEU MD1 0.000 . 5.900 2.254 1.762 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 95 ALA H 1 103 GLY H 0.000 . 5.000 3.429 2.957 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 95 ALA H 1 104 HIS HA 0.000 . 5.000 3.477 2.691 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 96 GLY QA 1 97 ASN H 0.000 . 4.500 2.267 2.157 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 96 GLY QA 1 103 GLY H 0.000 . 6.000 4.573 3.167 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 97 ASN H 1 97 ASN HA 0.000 . 2.900 2.970 2.917 2.990 0.090 3 0 "[ . 1 . 2 . 3]" 1
989 1 97 ASN HA 1 98 SER H 0.000 . 3.500 2.860 2.297 3.549 0.049 13 0 "[ . 1 . 2 . 3]" 1
990 1 97 ASN QB 1 98 SER H 0.000 . 4.500 2.635 1.853 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 97 ASN QD 1 99 GLY H 0.000 . 6.000 3.529 2.182 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 97 ASN H 1 100 LEU MD2 0.000 . 6.500 4.278 2.695 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 97 ASN H 1 102 LEU MD1 0.000 . 6.500 4.438 3.302 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 98 SER QB 1 99 GLY H 0.000 . 6.000 3.002 1.921 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 98 SER H 1 99 GLY H 0.000 . 5.000 2.887 1.929 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 99 GLY QA 1 100 LEU H 0.000 . 4.500 2.559 2.310 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 99 GLY H 1 100 LEU H 0.000 . 2.900 2.646 1.856 2.944 0.044 26 0 "[ . 1 . 2 . 3]" 1
998 1 100 LEU HA 1 100 LEU MD1 0.000 . 4.400 3.302 1.862 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 100 LEU HA 1 100 LEU MD2 0.000 . 4.000 2.864 1.832 3.373 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 100 LEU HA 1 101 ASP H 0.000 . 3.500 2.513 2.202 3.572 0.072 11 0 "[ . 1 . 2 . 3]" 1
1001 1 100 LEU QB 1 101 ASP HA 0.000 . 6.000 4.524 4.112 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 100 LEU MD2 1 101 ASP H 0.000 . 5.000 3.071 2.160 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 100 LEU MD2 1 102 LEU HA 0.000 . 6.500 3.680 2.385 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 101 ASP HA 1 102 LEU H 0.000 . 3.500 2.392 2.202 3.510 0.010 3 0 "[ . 1 . 2 . 3]" 1
1005 1 102 LEU HA 1 102 LEU MD2 0.000 . 4.000 2.178 1.793 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 102 LEU H 1 102 LEU HA 0.000 . 2.900 2.905 2.358 2.990 0.090 1 0 "[ . 1 . 2 . 3]" 1
1007 1 102 LEU MD1 1 103 GLY H 0.000 . 5.000 3.680 1.842 4.106 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 102 LEU H 1 102 LEU HG 0.000 . 5.000 3.038 1.978 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 103 GLY HA3 1 104 HIS H 0.000 . 2.900 2.616 2.558 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 103 GLY HA2 1 104 HIS H 0.000 . 2.900 2.583 2.414 2.643 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 104 HIS HA 1 105 VAL H 0.000 . 5.000 2.245 2.190 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 104 HIS QB 1 105 VAL H 0.000 . 6.000 3.478 2.938 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 105 VAL HA 1 106 ALA H 0.000 . 2.500 2.303 2.202 2.555 0.055 12 0 "[ . 1 . 2 . 3]" 1
1014 1 105 VAL H 1 105 VAL HB 0.000 . 3.500 2.350 2.167 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 105 VAL MG1 1 106 ALA H 0.000 . 4.400 2.347 1.764 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 105 VAL H 1 105 VAL MG2 0.000 . 4.400 2.473 2.118 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 106 ALA HA 1 107 LEU QB 0.000 . 6.000 4.489 4.371 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 106 ALA HA 1 107 LEU HG 0.000 . 3.500 3.164 3.001 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 106 ALA HA 1 107 LEU H 0.000 . 2.500 2.278 2.204 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 106 ALA H 1 106 ALA MB 0.000 . 3.600 2.156 1.960 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 106 ALA MB 1 107 LEU H 0.000 . 4.400 2.999 2.618 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 107 LEU HA 1 107 LEU MD2 0.000 . 4.000 2.148 1.858 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 107 LEU HA 1 107 LEU HG 0.000 . 3.500 3.147 2.856 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 107 LEU HA 1 108 THR H 0.000 . 2.500 2.480 2.379 2.547 0.047 30 0 "[ . 1 . 2 . 3]" 1
1025 1 107 LEU QB 1 108 THR H 0.000 . 6.000 2.547 2.403 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 107 LEU QB 1 109 PHE QE 0.000 . 6.500 2.988 2.273 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 107 LEU H 1 107 LEU MD1 0.000 . 5.000 3.649 3.230 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 107 LEU H 1 107 LEU MD2 0.000 . 5.000 3.450 3.065 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 107 LEU MD2 1 108 THR H 0.000 . 5.000 3.767 3.456 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 107 LEU H 1 107 LEU HG 0.000 . 3.500 2.314 2.041 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 108 THR HA 1 108 THR HB 0.000 . 2.900 2.991 2.915 3.018 0.118 25 0 "[ . 1 . 2 . 3]" 1
1032 1 108 THR HA 1 109 PHE QD 0.000 . 4.900 3.316 2.849 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 108 THR HA 1 109 PHE H 0.000 . 2.500 2.269 2.194 2.511 0.011 23 0 "[ . 1 . 2 . 3]" 1
1034 1 108 THR H 1 108 THR HB 0.000 . 3.500 2.946 2.587 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 108 THR HB 1 109 PHE QD 0.000 . 7.000 5.465 4.845 5.929 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 108 THR HB 1 109 PHE H 0.000 . 5.000 4.098 3.005 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 108 THR MG 1 109 PHE H 0.000 . 4.400 2.861 1.860 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 108 THR H 1 109 PHE QD 0.000 . 8.000 4.130 3.486 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 109 PHE HA 1 110 GLY H 0.000 . 2.500 2.332 2.195 2.540 0.040 4 0 "[ . 1 . 2 . 3]" 1
1040 1 109 PHE H 1 109 PHE QB 0.000 . 3.500 2.245 2.123 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 109 PHE QB 1 110 GLY H 0.000 . 4.500 3.468 2.691 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 109 PHE H 1 109 PHE QD 0.000 . 4.900 2.386 1.837 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 109 PHE QD 1 110 GLY H 0.000 . 5.500 4.405 3.369 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 32 TYR QD 2 1 ROM H3 0.000 . 7.000 5.901 5.329 6.418 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 76 PRO QB 2 1 ROM H3 0.000 . 6.000 2.851 1.926 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 76 PRO QG 2 1 ROM H3 0.000 . 4.500 3.494 2.528 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 32 TYR H 2 1 ROM H5 0.000 . 5.000 5.006 4.654 5.212 0.212 19 0 "[ . 1 . 2 . 3]" 1
1048 1 32 TYR QB 2 1 ROM H5 0.000 . 6.000 3.734 3.174 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 33 ILE HA 2 1 ROM H5 0.000 . 5.000 4.823 4.438 5.095 0.095 3 0 "[ . 1 . 2 . 3]" 1
1050 1 96 GLY QA 2 1 ROM H5 0.000 . 6.000 4.567 3.371 5.241 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 32 TYR QD 2 1 ROM H6 0.000 . 7.000 5.055 4.417 5.781 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 97 ASN HA 2 1 ROM H6 0.000 . 5.000 3.839 3.302 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 32 TYR QE 2 1 ROM H8 0.000 . 8.000 5.906 4.977 6.939 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 97 ASN HA 2 1 ROM H8 0.000 . 3.500 3.283 2.525 3.571 0.071 22 0 "[ . 1 . 2 . 3]" 1
1055 1 98 SER HA 2 1 ROM H8 0.000 . 3.500 2.405 1.853 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 76 PRO QG 2 1 ROM H12 0.000 . 6.000 3.444 2.295 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 33 ILE HA 2 1 ROM H13 0.000 . 5.000 4.859 4.429 5.094 0.094 29 0 "[ . 1 . 2 . 3]" 1
1058 1 34 ALA H 2 1 ROM H13 0.000 . 5.000 4.643 3.968 5.007 0.007 1 0 "[ . 1 . 2 . 3]" 1
1059 1 98 SER HA 2 1 ROM H1' 0.000 . 5.000 4.943 4.575 5.069 0.069 19 0 "[ . 1 . 2 . 3]" 1
1060 1 32 TYR QE 2 1 ROM H2' 0.000 . 7.000 4.051 2.858 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 32 TYR QD 2 1 ROM H4' 0.000 . 7.000 6.099 5.526 6.489 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 32 TYR QE 2 1 ROM H4' 0.000 . 5.500 5.058 4.124 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 32 TYR QD 2 1 ROM H'1 0.000 . 7.000 4.045 2.920 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 34 ALA MB 2 1 ROM H'8 0.000 . 5.000 4.077 3.437 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 45 CYS QB 2 1 ROM H'8 0.000 . 3.900 2.540 2.058 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 46 ASN HA 2 1 ROM H'8 0.000 . 6.000 5.888 5.003 6.129 0.129 13 0 "[ . 1 . 2 . 3]" 1
1067 1 75 THR HA 2 1 ROM H'8 0.000 . 6.000 5.241 4.516 5.715 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 76 PRO HA 2 1 ROM H'8 0.000 . 2.900 2.969 2.656 3.095 0.195 17 0 "[ . 1 . 2 . 3]" 1
1069 1 76 PRO QB 2 1 ROM H'8 0.000 . 4.500 2.387 1.839 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 76 PRO QG 2 1 ROM H'8 0.000 . 6.000 4.013 3.639 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 76 PRO QD 2 1 ROM H'8 0.000 . 4.500 3.735 3.420 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
1072 2 1 ROM H1' 2 1 ROM H3 0.000 . 3.500 3.571 3.518 3.642 0.142 20 0 "[ . 1 . 2 . 3]" 1
1073 2 1 ROM H12 2 1 ROM H3 0.000 . 2.900 2.725 2.697 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
1074 2 1 ROM H5 2 1 ROM H6 0.000 . 2.500 2.483 2.473 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
1075 2 1 ROM H5 2 1 ROM H8 0.000 . 5.000 4.994 4.978 5.010 0.010 21 0 "[ . 1 . 2 . 3]" 1
1076 2 1 ROM H13 2 1 ROM H5 0.000 . 2.500 2.563 2.408 2.715 0.215 20 0 "[ . 1 . 2 . 3]" 1
1077 2 1 ROM H6 2 1 ROM H8 0.000 . 2.900 2.878 2.863 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
1078 2 1 ROM H13 2 1 ROM H6 0.000 . 5.000 4.788 4.686 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
1079 2 1 ROM H10 2 1 ROM H8 0.000 . 3.500 3.623 3.615 3.631 0.131 23 0 "[ . 1 . 2 . 3]" 1
1080 2 1 ROM H1' 2 1 ROM H8 0.000 . 3.500 3.686 3.532 3.802 0.302 5 0 "[ . 1 . 2 . 3]" 1
1081 2 1 ROM H1' 2 1 ROM H10 0.000 . 5.000 4.395 4.227 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
1082 2 1 ROM H11 2 1 ROM H12 0.000 . 2.500 2.575 2.570 2.582 0.082 27 0 "[ . 1 . 2 . 3]" 1
1083 2 1 ROM H1' 2 1 ROM H11 0.000 . 5.000 4.593 4.303 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
1084 2 1 ROM H1' 2 1 ROM H12 0.000 . 5.000 3.444 3.218 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
1085 2 1 ROM H'8 2 1 ROM H13 0.000 . 5.000 4.664 3.622 5.172 0.172 19 0 "[ . 1 . 2 . 3]" 1
1086 2 1 ROM H18 2 1 ROM H20 0.000 . 3.500 3.628 3.297 3.714 0.214 27 0 "[ . 1 . 2 . 3]" 1
1087 2 1 ROM H18 2 1 ROM H24 0.000 . 2.500 2.479 2.342 2.860 0.360 22 0 "[ . 1 . 2 . 3]" 1
1088 2 1 ROM H1' 2 1 ROM H2' 0.000 . 3.500 3.009 2.996 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
1089 2 1 ROM H1' 2 1 ROM H4' 0.000 . 5.000 3.848 3.799 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
1090 2 1 ROM H2' 2 1 ROM H3' 0.000 . 2.500 2.447 2.415 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
1091 2 1 ROM H2' 2 1 ROM H4' 0.000 . 2.900 2.525 2.447 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
1092 2 1 ROM H3' 2 1 ROM H4' 0.000 . 2.500 2.434 2.404 2.454 . 0 0 "[ . 1 . 2 . 3]" 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 6
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 34.598
_Distance_constraint_stats_list.Viol_max 0.027
_Distance_constraint_stats_list.Viol_rms 0.0092
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0192
_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 36 CYS 0.590 0.027 13 0 "[ . 1 . 2 . 3]"
1 45 CYS 0.590 0.027 13 0 "[ . 1 . 2 . 3]"
1 86 CYS 0.563 0.022 15 0 "[ . 1 . 2 . 3]"
1 91 CYS 0.563 0.022 15 0 "[ . 1 . 2 . 3]"
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 36 CYS SG 1 45 CYS SG 0.000 . 2.000 2.020 2.016 2.027 0.027 13 0 "[ . 1 . 2 . 3]" 2
2 1 36 CYS CB 1 45 CYS SG 0.000 . 3.100 3.030 3.016 3.057 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 36 CYS SG 1 45 CYS CB 0.000 . 3.100 3.029 3.020 3.068 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 86 CYS SG 1 91 CYS SG 0.000 . 2.000 2.019 2.015 2.022 0.022 15 0 "[ . 1 . 2 . 3]" 2
5 1 86 CYS CB 1 91 CYS SG 0.000 . 3.100 3.027 3.015 3.047 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 86 CYS SG 1 91 CYS CB 0.000 . 3.100 3.023 3.007 3.035 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 383
_Distance_constraint_stats_list.Viol_total 426.798
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0371
_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 5 SER 2.953 0.103 18 0 "[ . 1 . 2 . 3]"
1 13 SER 0.051 0.032 26 0 "[ . 1 . 2 . 3]"
1 16 GLN 0.661 0.078 1 0 "[ . 1 . 2 . 3]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 VAL 0.222 0.042 7 0 "[ . 1 . 2 . 3]"
1 21 SER 2.953 0.103 18 0 "[ . 1 . 2 . 3]"
1 22 VAL 0.047 0.023 18 0 "[ . 1 . 2 . 3]"
1 29 GLU 1.723 0.096 9 0 "[ . 1 . 2 . 3]"
1 31 TYR 0.094 0.025 7 0 "[ . 1 . 2 . 3]"
1 33 ILE 0.812 0.086 7 0 "[ . 1 . 2 . 3]"
1 34 ALA 2.647 0.088 25 0 "[ . 1 . 2 . 3]"
1 35 GLN 0.690 0.095 29 0 "[ . 1 . 2 . 3]"
1 36 CYS 0.486 0.052 29 0 "[ . 1 . 2 . 3]"
1 37 ALA 0.179 0.055 7 0 "[ . 1 . 2 . 3]"
1 39 VAL 0.528 0.084 12 0 "[ . 1 . 2 . 3]"
1 42 GLN 0.528 0.084 12 0 "[ . 1 . 2 . 3]"
1 44 ALA 0.179 0.055 7 0 "[ . 1 . 2 . 3]"
1 46 ASN 0.690 0.095 29 0 "[ . 1 . 2 . 3]"
1 51 THR 0.812 0.086 7 0 "[ . 1 . 2 . 3]"
1 53 PHE 0.094 0.025 7 0 "[ . 1 . 2 . 3]"
1 55 THR 1.723 0.096 9 0 "[ . 1 . 2 . 3]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 ALA 0.047 0.023 18 0 "[ . 1 . 2 . 3]"
1 63 PHE 0.222 0.042 7 0 "[ . 1 . 2 . 3]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 67 VAL 0.610 0.078 1 0 "[ . 1 . 2 . 3]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 TYR 0.414 0.057 21 0 "[ . 1 . 2 . 3]"
1 84 VAL 0.414 0.057 21 0 "[ . 1 . 2 . 3]"
1 86 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 91 CYS 0.678 0.086 13 0 "[ . 1 . 2 . 3]"
1 92 ASN 0.486 0.052 29 0 "[ . 1 . 2 . 3]"
1 93 LEU 0.040 0.017 9 0 "[ . 1 . 2 . 3]"
1 94 GLY 2.647 0.088 25 0 "[ . 1 . 2 . 3]"
1 95 ALA 2.053 0.106 29 0 "[ . 1 . 2 . 3]"
1 103 GLY 2.053 0.106 29 0 "[ . 1 . 2 . 3]"
1 105 VAL 0.040 0.017 9 0 "[ . 1 . 2 . 3]"
1 107 LEU 0.678 0.086 13 0 "[ . 1 . 2 . 3]"
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 5 SER N 1 21 SER O 0.000 . 3.300 3.303 3.037 3.372 0.072 27 0 "[ . 1 . 2 . 3]" 3
2 1 5 SER H 1 21 SER O 0.000 . 2.300 2.345 2.086 2.401 0.101 4 0 "[ . 1 . 2 . 3]" 3
3 1 13 SER O 1 16 GLN N 0.000 . 3.300 3.002 2.855 3.142 . 0 0 "[ . 1 . 2 . 3]" 3
4 1 13 SER O 1 16 GLN H 0.000 . 2.300 2.175 2.062 2.332 0.032 26 0 "[ . 1 . 2 . 3]" 3
5 1 18 VAL N 1 65 PHE O 0.000 . 3.300 2.960 2.789 3.133 . 0 0 "[ . 1 . 2 . 3]" 3
6 1 18 VAL H 1 65 PHE O 0.000 . 2.300 2.092 2.049 2.209 . 0 0 "[ . 1 . 2 . 3]" 3
7 1 20 VAL N 1 63 PHE O 0.000 . 3.300 2.922 2.711 3.130 . 0 0 "[ . 1 . 2 . 3]" 3
8 1 20 VAL H 1 63 PHE O 0.000 . 2.300 2.112 2.053 2.242 . 0 0 "[ . 1 . 2 . 3]" 3
9 1 5 SER O 1 21 SER N 0.000 . 3.300 3.069 2.899 3.204 . 0 0 "[ . 1 . 2 . 3]" 3
10 1 5 SER O 1 21 SER H 0.000 . 2.300 2.279 2.087 2.403 0.103 18 0 "[ . 1 . 2 . 3]" 3
11 1 22 VAL N 1 61 ALA O 0.000 . 3.300 2.937 2.765 3.130 . 0 0 "[ . 1 . 2 . 3]" 3
12 1 22 VAL H 1 61 ALA O 0.000 . 2.300 2.176 2.066 2.323 0.023 18 0 "[ . 1 . 2 . 3]" 3
13 1 31 TYR N 1 53 PHE O 0.000 . 3.300 2.974 2.761 3.200 . 0 0 "[ . 1 . 2 . 3]" 3
14 1 31 TYR H 1 53 PHE O 0.000 . 2.300 2.150 2.075 2.317 0.017 4 0 "[ . 1 . 2 . 3]" 3
15 1 33 ILE N 1 51 THR O 0.000 . 3.300 3.206 3.023 3.310 0.010 16 0 "[ . 1 . 2 . 3]" 3
16 1 33 ILE H 1 51 THR O 0.000 . 2.300 2.303 2.195 2.386 0.086 7 0 "[ . 1 . 2 . 3]" 3
17 1 34 ALA N 1 94 GLY O 0.000 . 3.300 3.258 3.122 3.342 0.042 30 0 "[ . 1 . 2 . 3]" 3
18 1 34 ALA H 1 94 GLY O 0.000 . 2.300 2.312 2.166 2.388 0.088 25 0 "[ . 1 . 2 . 3]" 3
19 1 36 CYS N 1 92 ASN O 0.000 . 3.300 3.144 2.818 3.306 0.006 10 0 "[ . 1 . 2 . 3]" 3
20 1 36 CYS H 1 92 ASN O 0.000 . 2.300 2.244 2.070 2.335 0.035 27 0 "[ . 1 . 2 . 3]" 3
21 1 37 ALA N 1 44 ALA O 0.000 . 3.300 2.977 2.792 3.178 . 0 0 "[ . 1 . 2 . 3]" 3
22 1 37 ALA H 1 44 ALA O 0.000 . 2.300 2.119 2.034 2.302 0.002 16 0 "[ . 1 . 2 . 3]" 3
23 1 39 VAL N 1 42 GLN O 0.000 . 3.300 3.088 2.681 3.251 . 0 0 "[ . 1 . 2 . 3]" 3
24 1 39 VAL H 1 42 GLN O 0.000 . 2.300 2.273 2.093 2.384 0.084 12 0 "[ . 1 . 2 . 3]" 3
25 1 37 ALA O 1 44 ALA N 0.000 . 3.300 3.031 2.770 3.241 . 0 0 "[ . 1 . 2 . 3]" 3
26 1 37 ALA O 1 44 ALA H 0.000 . 2.300 2.201 2.056 2.355 0.055 7 0 "[ . 1 . 2 . 3]" 3
27 1 35 GLN O 1 46 ASN N 0.000 . 3.300 3.091 2.868 3.319 0.019 23 0 "[ . 1 . 2 . 3]" 3
28 1 35 GLN O 1 46 ASN H 0.000 . 2.300 2.286 2.076 2.395 0.095 29 0 "[ . 1 . 2 . 3]" 3
29 1 31 TYR O 1 53 PHE N 0.000 . 3.300 3.038 2.904 3.172 . 0 0 "[ . 1 . 2 . 3]" 3
30 1 31 TYR O 1 53 PHE H 0.000 . 2.300 2.145 2.044 2.325 0.025 7 0 "[ . 1 . 2 . 3]" 3
31 1 29 GLU O 1 55 THR N 0.000 . 3.300 3.259 3.179 3.329 0.029 27 0 "[ . 1 . 2 . 3]" 3
32 1 29 GLU O 1 55 THR H 0.000 . 2.300 2.356 2.314 2.396 0.096 9 0 "[ . 1 . 2 . 3]" 3
33 1 56 ASP O 1 59 GLY N 0.000 . 3.300 2.980 2.920 3.047 . 0 0 "[ . 1 . 2 . 3]" 3
34 1 56 ASP O 1 59 GLY H 0.000 . 2.300 2.080 2.026 2.149 . 0 0 "[ . 1 . 2 . 3]" 3
35 1 22 VAL O 1 61 ALA N 0.000 . 3.300 2.972 2.760 3.160 . 0 0 "[ . 1 . 2 . 3]" 3
36 1 22 VAL O 1 61 ALA H 0.000 . 2.300 2.109 2.036 2.290 . 0 0 "[ . 1 . 2 . 3]" 3
37 1 20 VAL O 1 63 PHE N 0.000 . 3.300 3.156 3.009 3.263 . 0 0 "[ . 1 . 2 . 3]" 3
38 1 20 VAL O 1 63 PHE H 0.000 . 2.300 2.274 2.128 2.342 0.042 7 0 "[ . 1 . 2 . 3]" 3
39 1 18 VAL O 1 65 PHE N 0.000 . 3.300 3.012 2.872 3.176 . 0 0 "[ . 1 . 2 . 3]" 3
40 1 18 VAL O 1 65 PHE H 0.000 . 2.300 2.111 2.047 2.299 . 0 0 "[ . 1 . 2 . 3]" 3
41 1 16 GLN O 1 67 VAL N 0.000 . 3.300 3.097 2.977 3.208 . 0 0 "[ . 1 . 2 . 3]" 3
42 1 16 GLN O 1 67 VAL H 0.000 . 2.300 2.292 2.095 2.378 0.078 1 0 "[ . 1 . 2 . 3]" 3
43 1 71 TYR N 1 84 VAL O 0.000 . 3.300 3.185 3.025 3.302 0.002 25 0 "[ . 1 . 2 . 3]" 3
44 1 71 TYR H 1 84 VAL O 0.000 . 2.300 2.242 2.104 2.357 0.057 21 0 "[ . 1 . 2 . 3]" 3
45 1 71 TYR O 1 84 VAL N 0.000 . 3.300 2.957 2.779 3.169 . 0 0 "[ . 1 . 2 . 3]" 3
46 1 71 TYR O 1 84 VAL H 0.000 . 2.300 2.199 2.069 2.336 0.036 9 0 "[ . 1 . 2 . 3]" 3
47 1 69 LYS O 1 86 CYS N 0.000 . 3.300 2.901 2.540 3.088 . 0 0 "[ . 1 . 2 . 3]" 3
48 1 69 LYS O 1 86 CYS H 0.000 . 2.300 2.095 2.045 2.168 . 0 0 "[ . 1 . 2 . 3]" 3
49 1 36 CYS O 1 92 ASN N 0.000 . 3.300 3.118 2.818 3.307 0.007 10 0 "[ . 1 . 2 . 3]" 3
50 1 36 CYS O 1 92 ASN H 0.000 . 2.300 2.214 2.085 2.352 0.052 29 0 "[ . 1 . 2 . 3]" 3
51 1 93 LEU N 1 105 VAL O 0.000 . 3.300 2.732 2.574 2.943 . 0 0 "[ . 1 . 2 . 3]" 3
52 1 93 LEU H 1 105 VAL O 0.000 . 2.300 2.078 2.045 2.103 . 0 0 "[ . 1 . 2 . 3]" 3
53 1 34 ALA O 1 94 GLY N 0.000 . 3.300 3.299 3.221 3.364 0.064 2 0 "[ . 1 . 2 . 3]" 3
54 1 34 ALA O 1 94 GLY H 0.000 . 2.300 2.334 2.245 2.381 0.081 2 0 "[ . 1 . 2 . 3]" 3
55 1 95 ALA N 1 103 GLY O 0.000 . 3.300 3.264 3.010 3.361 0.061 4 0 "[ . 1 . 2 . 3]" 3
56 1 95 ALA H 1 103 GLY O 0.000 . 2.300 2.358 2.174 2.406 0.106 29 0 "[ . 1 . 2 . 3]" 3
57 1 93 LEU O 1 105 VAL N 0.000 . 3.300 2.760 2.580 2.985 . 0 0 "[ . 1 . 2 . 3]" 3
58 1 93 LEU O 1 105 VAL H 0.000 . 2.300 2.163 2.084 2.317 0.017 9 0 "[ . 1 . 2 . 3]" 3
59 1 91 CYS O 1 107 LEU N 0.000 . 3.300 3.211 2.977 3.324 0.024 13 0 "[ . 1 . 2 . 3]" 3
60 1 91 CYS O 1 107 LEU H 0.000 . 2.300 2.292 2.092 2.386 0.086 13 0 "[ . 1 . 2 . 3]" 3
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 3:38:04 PM GMT (wattos1)