NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638171 |
5zpv   |
36180 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5zpv
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 652
_Distance_constraint_stats_list.Viol_count 1877
_Distance_constraint_stats_list.Viol_total 2146.502
_Distance_constraint_stats_list.Viol_max 0.592
_Distance_constraint_stats_list.Viol_rms 0.0669
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0329
_Distance_constraint_stats_list.Viol_average_violations_only 0.1144
_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 17 GLN 0.000 0.000 . 0 "[ . 1]"
1 18 ALA 0.005 0.005 3 0 "[ . 1]"
1 19 ALA 0.005 0.005 3 0 "[ . 1]"
1 20 SER 0.665 0.097 2 0 "[ . 1]"
1 21 VAL 2.590 0.205 7 0 "[ . 1]"
1 22 GLU 1.469 0.205 7 0 "[ . 1]"
1 23 PRO 0.564 0.156 8 0 "[ . 1]"
1 24 TYR 3.702 0.338 7 0 "[ . 1]"
1 25 SER 0.179 0.179 8 0 "[ . 1]"
1 26 ASP 1.596 0.388 8 0 "[ . 1]"
1 27 ALA 2.022 0.211 8 0 "[ . 1]"
1 28 ALA 4.844 0.211 10 0 "[ . 1]"
1 29 PHE 0.754 0.128 3 0 "[ . 1]"
1 30 THR 5.820 0.338 10 0 "[ . 1]"
1 31 GLN 9.692 0.340 6 0 "[ . 1]"
1 32 ALA 6.622 0.221 3 0 "[ . 1]"
1 33 GLN 10.038 0.416 10 0 "[ . 1]"
1 34 ALA 6.006 0.338 10 0 "[ . 1]"
1 35 SER 2.635 0.249 10 0 "[ . 1]"
1 36 GLY 2.137 0.249 10 0 "[ . 1]"
1 37 ALA 0.265 0.224 5 0 "[ . 1]"
1 38 PRO 0.055 0.055 2 0 "[ . 1]"
1 39 VAL 6.061 0.236 5 0 "[ . 1]"
1 40 LEU 4.980 0.417 8 0 "[ . 1]"
1 41 VAL 1.477 0.201 8 0 "[ . 1]"
1 42 ASP 2.208 0.190 7 0 "[ . 1]"
1 43 VAL 12.988 0.548 7 1 "[ . + 1]"
1 44 TYR 0.621 0.068 1 0 "[ . 1]"
1 45 ALA 3.157 0.273 10 0 "[ . 1]"
1 46 ASP 1.132 0.143 9 0 "[ . 1]"
1 47 TRP 0.000 0.000 . 0 "[ . 1]"
1 48 CYS 2.165 0.267 10 0 "[ . 1]"
1 50 VAL 2.888 0.199 9 0 "[ . 1]"
1 51 CYS 7.427 0.286 6 0 "[ . 1]"
1 52 LYS 6.332 0.286 6 0 "[ . 1]"
1 53 ARG 5.274 0.199 9 0 "[ . 1]"
1 54 GLN 8.346 0.246 10 0 "[ . 1]"
1 55 GLU 7.842 0.280 5 0 "[ . 1]"
1 56 ARG 4.769 0.253 4 0 "[ . 1]"
1 57 GLU 4.883 0.337 5 0 "[ . 1]"
1 58 LEU 4.284 0.191 4 0 "[ . 1]"
1 59 THR 4.570 0.253 4 0 "[ . 1]"
1 61 LEU 4.143 0.177 10 0 "[ . 1]"
1 62 PHE 7.434 0.337 5 0 "[ . 1]"
1 63 ALA 6.058 0.282 8 0 "[ . 1]"
1 64 GLN 3.960 0.218 8 0 "[ . 1]"
1 66 ALA 1.785 0.203 7 0 "[ . 1]"
1 67 GLN 2.372 0.203 7 0 "[ . 1]"
1 68 ARG 3.801 0.213 1 0 "[ . 1]"
1 69 ASP 3.515 0.231 5 0 "[ . 1]"
1 70 LEU 5.561 0.231 5 0 "[ . 1]"
1 71 ARG 0.776 0.181 9 0 "[ . 1]"
1 72 VAL 3.732 0.366 8 0 "[ . 1]"
1 73 PHE 3.803 0.304 8 0 "[ . 1]"
1 74 LYS 4.218 0.268 7 0 "[ . 1]"
1 75 VAL 5.870 0.270 4 0 "[ . 1]"
1 76 ASN 6.893 0.338 7 0 "[ . 1]"
1 77 PHE 5.791 0.265 9 0 "[ . 1]"
1 78 ASP 5.946 0.228 1 0 "[ . 1]"
1 79 THR 6.413 0.311 7 0 "[ . 1]"
1 80 GLN 6.222 0.388 8 0 "[ . 1]"
1 81 LYS 6.242 0.343 5 0 "[ . 1]"
1 82 ALA 3.050 0.315 8 0 "[ . 1]"
1 83 ALA 4.534 0.195 4 0 "[ . 1]"
1 84 LEU 13.834 0.348 2 0 "[ . 1]"
1 85 GLN 5.737 0.342 4 0 "[ . 1]"
1 86 GLN 8.628 0.340 5 0 "[ . 1]"
1 87 PHE 6.018 0.348 2 0 "[ . 1]"
1 88 ARG 5.333 0.340 5 0 "[ . 1]"
1 89 VAL 6.155 0.357 4 0 "[ . 1]"
1 90 SER 3.058 0.592 9 1 "[ . +1]"
1 91 GLN 2.808 0.592 9 1 "[ . +1]"
1 92 GLN 5.569 0.548 7 1 "[ . + 1]"
1 93 SER 6.147 0.291 4 0 "[ . 1]"
1 94 THR 3.285 0.221 9 0 "[ . 1]"
1 95 LEU 5.821 0.407 8 0 "[ . 1]"
1 96 ILE 3.164 0.407 8 0 "[ . 1]"
1 97 LEU 3.398 0.417 8 0 "[ . 1]"
1 98 TYR 2.838 0.261 5 0 "[ . 1]"
1 99 ARG 3.487 0.296 2 0 "[ . 1]"
1 100 ASN 2.102 0.296 2 0 "[ . 1]"
1 101 GLY 0.624 0.105 7 0 "[ . 1]"
1 102 GLN 1.542 0.416 10 0 "[ . 1]"
1 103 GLU 0.969 0.158 9 0 "[ . 1]"
1 104 VAL 3.182 0.210 7 0 "[ . 1]"
1 105 ARG 5.419 0.350 10 0 "[ . 1]"
1 106 ARG 3.741 0.224 9 0 "[ . 1]"
1 107 SER 3.003 0.186 8 0 "[ . 1]"
1 108 ILE 1.734 0.186 8 0 "[ . 1]"
1 109 GLY 0.997 0.188 7 0 "[ . 1]"
1 110 GLU 0.973 0.181 9 0 "[ . 1]"
1 111 THR 2.114 0.445 6 0 "[ . 1]"
1 112 SER 6.423 0.445 6 0 "[ . 1]"
1 114 SER 3.278 0.328 8 0 "[ . 1]"
1 115 ALA 6.550 0.328 8 0 "[ . 1]"
1 116 LEU 13.316 0.390 1 0 "[ . 1]"
1 117 SER 7.186 0.350 10 0 "[ . 1]"
1 118 ASP 9.740 0.327 8 0 "[ . 1]"
1 119 PHE 7.950 0.390 1 0 "[ . 1]"
1 120 LEU 2.191 0.189 6 0 "[ . 1]"
1 121 THR 3.295 0.225 5 0 "[ . 1]"
1 122 ARG 2.507 0.225 5 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 GLN HA 1 18 ALA H . . 2.990 2.272 2.149 2.773 . 0 0 "[ . 1]" 1
2 1 17 GLN QB 1 18 ALA H . . 6.000 3.543 2.575 4.028 . 0 0 "[ . 1]" 1
3 1 17 GLN QG 1 18 ALA H . . 3.900 3.550 2.184 3.889 . 0 0 "[ . 1]" 1
4 1 18 ALA HA 1 19 ALA H . . 2.900 2.512 2.301 2.905 0.005 3 0 "[ . 1]" 1
5 1 18 ALA MB 1 19 ALA H . . 3.900 2.878 2.112 3.680 . 0 0 "[ . 1]" 1
6 1 19 ALA HA 1 20 SER H . . 2.900 2.425 2.146 2.695 . 0 0 "[ . 1]" 1
7 1 19 ALA MB 1 20 SER H . . 3.900 2.620 2.139 3.402 . 0 0 "[ . 1]" 1
8 1 20 SER H 1 21 VAL H . . 3.500 3.414 2.791 3.591 0.091 1 0 "[ . 1]" 1
9 1 20 SER H 1 21 VAL MG1 . . 5.900 3.462 2.775 5.665 . 0 0 "[ . 1]" 1
10 1 20 SER H 1 72 VAL H . . 3.500 3.529 3.325 3.597 0.097 2 0 "[ . 1]" 1
11 1 20 SER HA 1 21 VAL H . . 2.900 2.241 2.162 2.549 . 0 0 "[ . 1]" 1
12 1 20 SER QB 1 21 VAL H . . 3.900 3.815 3.707 3.915 0.015 2 0 "[ . 1]" 1
13 1 20 SER QB 1 72 VAL H . . 5.700 4.611 3.522 5.255 . 0 0 "[ . 1]" 1
14 1 21 VAL H 1 22 GLU H . . 4.400 4.472 4.379 4.605 0.205 7 0 "[ . 1]" 1
15 1 21 VAL H 1 73 PHE HA . . 5.800 5.849 5.727 5.990 0.190 7 0 "[ . 1]" 1
16 1 21 VAL HA 1 22 GLU H . . 2.900 2.187 2.141 2.264 . 0 0 "[ . 1]" 1
17 1 21 VAL HA 1 72 VAL H . . 5.000 3.414 2.534 3.635 . 0 0 "[ . 1]" 1
18 1 21 VAL HA 1 73 PHE H . . 5.000 4.745 4.467 4.948 . 0 0 "[ . 1]" 1
19 1 21 VAL HA 1 74 LYS H . . 5.000 4.627 4.333 5.084 0.084 7 0 "[ . 1]" 1
20 1 21 VAL HB 1 22 GLU H . . 3.900 3.223 2.751 4.060 0.160 7 0 "[ . 1]" 1
21 1 21 VAL HB 1 72 VAL H . . 5.000 4.998 4.598 5.140 0.140 3 0 "[ . 1]" 1
22 1 21 VAL MG1 1 22 GLU H . . 5.300 3.760 2.059 4.009 . 0 0 "[ . 1]" 1
23 1 21 VAL MG1 1 72 VAL H . . 5.300 2.859 2.292 4.135 . 0 0 "[ . 1]" 1
24 1 21 VAL MG1 1 73 PHE H . . 4.800 4.795 4.457 4.870 0.070 3 0 "[ . 1]" 1
25 1 21 VAL MG2 1 22 GLU H . . 5.300 3.854 3.449 4.127 . 0 0 "[ . 1]" 1
26 1 22 GLU H 1 72 VAL H . . 5.300 5.180 4.181 5.419 0.119 5 0 "[ . 1]" 1
27 1 22 GLU H 1 73 PHE H . . 5.300 4.848 4.098 5.137 . 0 0 "[ . 1]" 1
28 1 22 GLU H 1 73 PHE HA . . 4.600 2.226 1.936 2.363 . 0 0 "[ . 1]" 1
29 1 22 GLU H 1 74 LYS H . . 3.500 3.338 3.029 3.654 0.154 7 0 "[ . 1]" 1
30 1 22 GLU HA 1 74 LYS H . . 5.500 5.164 4.913 5.349 . 0 0 "[ . 1]" 1
31 1 23 PRO HA 1 74 LYS H . . 3.800 3.855 3.782 3.956 0.156 8 0 "[ . 1]" 1
32 1 23 PRO QB 1 74 LYS H . . 5.810 5.454 5.344 5.633 . 0 0 "[ . 1]" 1
33 1 23 PRO QD 1 74 LYS H . . 5.870 5.294 5.033 5.633 . 0 0 "[ . 1]" 1
34 1 24 TYR H 1 73 PHE HA . . 5.800 5.738 5.438 6.104 0.304 8 0 "[ . 1]" 1
35 1 24 TYR H 1 74 LYS HA . . 5.400 4.985 4.613 5.668 0.268 7 0 "[ . 1]" 1
36 1 24 TYR H 1 75 VAL H . . 5.400 4.690 4.052 5.421 0.021 7 0 "[ . 1]" 1
37 1 24 TYR H 1 76 ASN H . . 3.800 3.929 3.831 4.138 0.338 7 0 "[ . 1]" 1
38 1 24 TYR HA 1 74 LYS H . . 5.600 5.423 5.030 5.689 0.089 1 0 "[ . 1]" 1
39 1 24 TYR QB 1 75 VAL H . . 5.610 5.241 3.409 5.843 0.233 6 0 "[ . 1]" 1
40 1 24 TYR QB 1 76 ASN H . . 4.000 2.518 1.743 4.111 0.111 3 0 "[ . 1]" 1
41 1 25 SER H 1 28 ALA H . . 5.000 4.774 3.599 5.179 0.179 8 0 "[ . 1]" 1
42 1 25 SER HA 1 26 ASP H . . 2.900 2.315 2.164 2.786 . 0 0 "[ . 1]" 1
43 1 25 SER QB 1 26 ASP H . . 3.900 3.716 2.855 3.879 . 0 0 "[ . 1]" 1
44 1 26 ASP H 1 28 ALA H . . 5.000 4.064 3.755 4.286 . 0 0 "[ . 1]" 1
45 1 26 ASP H 1 80 GLN HA . . 5.000 5.144 5.066 5.388 0.388 8 0 "[ . 1]" 1
46 1 26 ASP HA 1 27 ALA H . . 3.500 3.497 3.453 3.559 0.059 4 0 "[ . 1]" 1
47 1 26 ASP QB 1 27 ALA H . . 3.900 3.036 2.358 3.600 . 0 0 "[ . 1]" 1
48 1 27 ALA H 1 28 ALA H . . 2.900 2.522 2.334 2.661 . 0 0 "[ . 1]" 1
49 1 27 ALA H 1 29 PHE H . . 4.220 4.204 3.836 4.294 0.074 2 0 "[ . 1]" 1
50 1 27 ALA HA 1 28 ALA H . . 3.260 3.412 3.389 3.471 0.211 8 0 "[ . 1]" 1
51 1 27 ALA MB 1 28 ALA H . . 3.900 3.048 2.882 3.104 . 0 0 "[ . 1]" 1
52 1 28 ALA H 1 29 PHE H . . 2.900 2.333 2.285 2.431 . 0 0 "[ . 1]" 1
53 1 28 ALA H 1 29 PHE HA . . 4.920 4.948 4.891 5.048 0.128 3 0 "[ . 1]" 1
54 1 28 ALA H 1 29 PHE QB . . 5.000 4.092 3.984 4.508 . 0 0 "[ . 1]" 1
55 1 28 ALA H 1 30 THR H . . 3.920 4.053 4.011 4.131 0.211 10 0 "[ . 1]" 1
56 1 28 ALA H 1 31 GLN H . . 5.000 4.836 4.758 5.018 0.018 10 0 "[ . 1]" 1
57 1 28 ALA H 1 31 GLN QB . . 5.000 5.143 5.034 5.202 0.202 10 0 "[ . 1]" 1
58 1 28 ALA H 1 31 GLN QG . . 5.000 4.635 4.367 5.014 0.014 8 0 "[ . 1]" 1
59 1 29 PHE HA 1 30 THR H . . 3.500 3.501 3.483 3.509 0.009 10 0 "[ . 1]" 1
60 1 29 PHE HA 1 32 ALA H . . 4.180 3.861 3.781 4.053 . 0 0 "[ . 1]" 1
61 1 29 PHE QB 1 30 THR H . . 3.900 2.792 2.695 2.939 . 0 0 "[ . 1]" 1
62 1 29 PHE QB 1 31 GLN H . . 5.000 4.906 4.780 5.020 0.020 5 0 "[ . 1]" 1
63 1 29 PHE QB 1 33 GLN H . . 6.000 5.788 5.185 5.965 . 0 0 "[ . 1]" 1
64 1 30 THR H 1 31 GLN H . . 2.900 2.435 2.354 2.560 . 0 0 "[ . 1]" 1
65 1 30 THR H 1 32 ALA H . . 4.000 3.746 3.636 3.869 . 0 0 "[ . 1]" 1
66 1 30 THR HA 1 31 GLN H . . 3.370 3.541 3.502 3.569 0.199 5 0 "[ . 1]" 1
67 1 30 THR HB 1 31 GLN H . . 3.900 3.323 2.861 3.808 . 0 0 "[ . 1]" 1
68 1 30 THR HB 1 33 GLN H . . 5.090 5.107 4.932 5.176 0.086 8 0 "[ . 1]" 1
69 1 30 THR HB 1 34 ALA H . . 4.750 4.877 4.765 5.088 0.338 10 0 "[ . 1]" 1
70 1 30 THR HG1 1 31 GLN H . . 3.900 1.910 1.883 1.927 . 0 0 "[ . 1]" 1
71 1 30 THR HG1 1 32 ALA H . . 4.210 4.311 4.288 4.332 0.122 10 0 "[ . 1]" 1
72 1 31 GLN H 1 32 ALA H . . 2.900 2.624 2.565 2.762 . 0 0 "[ . 1]" 1
73 1 31 GLN H 1 34 ALA MB . . 4.260 4.358 4.241 4.485 0.225 10 0 "[ . 1]" 1
74 1 31 GLN HA 1 32 ALA H . . 3.290 3.458 3.441 3.481 0.191 10 0 "[ . 1]" 1
75 1 31 GLN HA 1 34 ALA H . . 3.160 3.346 3.289 3.461 0.301 4 0 "[ . 1]" 1
76 1 31 GLN QB 1 32 ALA H . . 3.900 3.141 2.822 3.551 . 0 0 "[ . 1]" 1
77 1 31 GLN QB 1 33 GLN H . . 6.000 4.975 4.758 5.323 . 0 0 "[ . 1]" 1
78 1 31 GLN QG 1 32 ALA H . . 6.000 3.379 2.365 4.034 . 0 0 "[ . 1]" 1
79 1 31 GLN QG 1 33 GLN H . . 5.200 5.165 4.537 5.540 0.340 6 0 "[ . 1]" 1
80 1 32 ALA H 1 33 GLN H . . 2.900 2.464 2.376 2.520 . 0 0 "[ . 1]" 1
81 1 32 ALA H 1 33 GLN HA . . 4.960 5.129 5.057 5.170 0.210 10 0 "[ . 1]" 1
82 1 32 ALA H 1 39 VAL MG1 . . 5.000 4.819 4.480 5.190 0.190 10 0 "[ . 1]" 1
83 1 32 ALA HA 1 33 GLN H . . 3.320 3.513 3.488 3.541 0.221 3 0 "[ . 1]" 1
84 1 32 ALA MB 1 33 GLN H . . 3.900 2.740 2.586 2.845 . 0 0 "[ . 1]" 1
85 1 33 GLN H 1 34 ALA H . . 2.900 2.301 2.268 2.392 . 0 0 "[ . 1]" 1
86 1 33 GLN H 1 39 VAL MG1 . . 5.000 5.063 4.698 5.173 0.173 10 0 "[ . 1]" 1
87 1 33 GLN HA 1 34 ALA H . . 3.270 3.437 3.407 3.459 0.189 1 0 "[ . 1]" 1
88 1 33 GLN HA 1 100 ASN H . . 6.500 5.846 5.386 6.561 0.061 5 0 "[ . 1]" 1
89 1 33 GLN HA 1 101 GLY H . . 5.000 4.301 3.875 4.973 . 0 0 "[ . 1]" 1
90 1 33 GLN HA 1 102 GLN H . . 5.400 5.519 5.417 5.816 0.416 10 0 "[ . 1]" 1
91 1 33 GLN QB 1 34 ALA H . . 3.900 3.502 3.031 3.687 . 0 0 "[ . 1]" 1
92 1 33 GLN QB 1 101 GLY H . . 5.600 4.923 4.220 5.625 0.025 10 0 "[ . 1]" 1
93 1 33 GLN QG 1 35 SER H . . 5.000 4.377 4.258 4.621 . 0 0 "[ . 1]" 1
94 1 33 GLN HG2 1 34 ALA H . . 3.900 3.221 2.294 3.975 0.075 5 0 "[ . 1]" 1
95 1 34 ALA HA 1 35 SER H . . 3.270 3.240 3.167 3.309 0.039 4 0 "[ . 1]" 1
96 1 34 ALA MB 1 35 SER H . . 3.900 3.348 3.260 3.445 . 0 0 "[ . 1]" 1
97 1 35 SER H 1 36 GLY H . . 2.900 2.193 2.076 2.343 . 0 0 "[ . 1]" 1
98 1 35 SER H 1 36 GLY QA . . 3.990 4.112 4.070 4.186 0.196 5 0 "[ . 1]" 1
99 1 35 SER H 1 39 VAL MG2 . . 5.000 5.033 4.761 5.126 0.126 4 0 "[ . 1]" 1
100 1 35 SER HA 1 36 GLY H . . 3.310 3.369 3.234 3.559 0.249 10 0 "[ . 1]" 1
101 1 35 SER QB 1 36 GLY H . . 3.900 3.148 2.472 3.461 . 0 0 "[ . 1]" 1
102 1 35 SER QB 1 37 ALA H . . 4.280 2.871 2.188 3.369 . 0 0 "[ . 1]" 1
103 1 36 GLY H 1 37 ALA H . . 2.900 2.599 2.245 2.817 . 0 0 "[ . 1]" 1
104 1 36 GLY QA 1 37 ALA H . . 3.900 2.815 2.740 2.919 . 0 0 "[ . 1]" 1
105 1 36 GLY QA 1 100 ASN H . . 3.500 3.348 3.100 3.563 0.063 9 0 "[ . 1]" 1
106 1 37 ALA H 1 39 VAL MG2 . . 5.900 3.931 3.640 4.190 . 0 0 "[ . 1]" 1
107 1 37 ALA H 1 100 ASN H . . 4.500 4.216 3.915 4.724 0.224 5 0 "[ . 1]" 1
108 1 38 PRO HA 1 98 TYR H . . 5.000 4.521 4.086 4.764 . 0 0 "[ . 1]" 1
109 1 38 PRO HA 1 100 ASN H . . 4.600 4.304 3.963 4.655 0.055 2 0 "[ . 1]" 1
110 1 39 VAL H 1 40 LEU H . . 4.000 4.140 4.043 4.236 0.236 5 0 "[ . 1]" 1
111 1 39 VAL H 1 40 LEU HA . . 5.000 4.595 4.529 4.679 . 0 0 "[ . 1]" 1
112 1 39 VAL H 1 70 LEU HA . . 5.000 5.166 5.078 5.229 0.229 6 0 "[ . 1]" 1
113 1 39 VAL H 1 71 ARG H . . 5.000 4.519 4.247 4.755 . 0 0 "[ . 1]" 1
114 1 39 VAL H 1 71 ARG QD . . 5.900 5.213 4.711 5.865 . 0 0 "[ . 1]" 1
115 1 39 VAL H 1 97 LEU HA . . 4.600 3.907 3.811 4.038 . 0 0 "[ . 1]" 1
116 1 39 VAL H 1 97 LEU MD1 . . 3.800 2.436 1.874 3.831 0.031 8 0 "[ . 1]" 1
117 1 39 VAL H 1 98 TYR H . . 3.200 3.089 2.769 3.295 0.095 5 0 "[ . 1]" 1
118 1 39 VAL H 1 98 TYR QB . . 4.500 3.998 3.183 4.633 0.133 10 0 "[ . 1]" 1
119 1 39 VAL HA 1 40 LEU H . . 2.900 2.146 2.141 2.154 . 0 0 "[ . 1]" 1
120 1 39 VAL HA 1 71 ARG H . . 2.900 2.905 2.653 3.081 0.181 9 0 "[ . 1]" 1
121 1 39 VAL HB 1 98 TYR H . . 4.500 4.121 3.631 4.634 0.134 9 0 "[ . 1]" 1
122 1 39 VAL MG1 1 40 LEU H . . 5.300 2.905 2.416 3.696 . 0 0 "[ . 1]" 1
123 1 39 VAL MG2 1 40 LEU H . . 5.300 4.150 4.005 4.330 . 0 0 "[ . 1]" 1
124 1 40 LEU H 1 41 VAL H . . 7.400 4.550 4.531 4.556 . 0 0 "[ . 1]" 1
125 1 40 LEU H 1 70 LEU HA . . 5.700 5.524 5.019 5.916 0.216 8 0 "[ . 1]" 1
126 1 40 LEU H 1 71 ARG H . . 4.500 4.055 3.454 4.382 . 0 0 "[ . 1]" 1
127 1 40 LEU H 1 72 VAL H . . 4.700 4.260 3.891 4.544 . 0 0 "[ . 1]" 1
128 1 40 LEU H 1 72 VAL HA . . 3.500 2.653 2.347 2.858 . 0 0 "[ . 1]" 1
129 1 40 LEU H 1 72 VAL MG1 . . 4.800 4.959 4.762 5.166 0.366 8 0 "[ . 1]" 1
130 1 40 LEU H 1 97 LEU HA . . 5.000 4.683 4.449 4.952 . 0 0 "[ . 1]" 1
131 1 40 LEU HA 1 41 VAL H . . 2.900 2.278 2.267 2.285 . 0 0 "[ . 1]" 1
132 1 40 LEU HA 1 96 ILE H . . 5.400 4.090 3.827 4.531 . 0 0 "[ . 1]" 1
133 1 40 LEU HA 1 97 LEU H . . 4.300 4.448 4.317 4.717 0.417 8 0 "[ . 1]" 1
134 1 40 LEU QB 1 41 VAL H . . 4.500 3.305 2.850 3.472 . 0 0 "[ . 1]" 1
135 1 40 LEU MD1 1 41 VAL H . . 5.900 3.570 2.578 4.148 . 0 0 "[ . 1]" 1
136 1 40 LEU MD2 1 41 VAL H . . 5.900 3.266 2.222 4.781 . 0 0 "[ . 1]" 1
137 1 40 LEU HG 1 41 VAL H . . 3.900 2.541 1.987 3.932 0.032 2 0 "[ . 1]" 1
138 1 41 VAL H 1 42 ASP H . . 5.000 4.421 4.383 4.482 . 0 0 "[ . 1]" 1
139 1 41 VAL H 1 72 VAL HA . . 5.700 5.159 4.731 5.703 0.003 8 0 "[ . 1]" 1
140 1 41 VAL H 1 73 PHE H . . 5.200 4.841 4.550 5.219 0.019 8 0 "[ . 1]" 1
141 1 41 VAL H 1 73 PHE QB . . 5.900 5.572 4.379 6.101 0.201 8 0 "[ . 1]" 1
142 1 41 VAL H 1 95 LEU HA . . 3.500 3.533 3.308 3.640 0.140 6 0 "[ . 1]" 1
143 1 41 VAL H 1 95 LEU MD1 . . 6.040 3.891 2.418 5.006 . 0 0 "[ . 1]" 1
144 1 41 VAL H 1 96 ILE H . . 2.900 2.498 2.261 2.890 . 0 0 "[ . 1]" 1
145 1 41 VAL HA 1 42 ASP H . . 2.900 2.178 2.151 2.212 . 0 0 "[ . 1]" 1
146 1 41 VAL HA 1 73 PHE H . . 4.000 3.198 2.707 4.015 0.015 8 0 "[ . 1]" 1
147 1 41 VAL HA 1 75 VAL H . . 5.500 5.302 4.850 5.472 . 0 0 "[ . 1]" 1
148 1 41 VAL HB 1 42 ASP H . . 4.500 4.005 3.883 4.164 . 0 0 "[ . 1]" 1
149 1 41 VAL HB 1 95 LEU H . . 5.000 4.947 4.219 5.064 0.064 1 0 "[ . 1]" 1
150 1 41 VAL HB 1 96 ILE H . . 3.800 2.383 1.943 2.815 . 0 0 "[ . 1]" 1
151 1 41 VAL MG1 1 42 ASP H . . 5.300 2.339 2.020 2.502 . 0 0 "[ . 1]" 1
152 1 41 VAL MG1 1 43 VAL H . . 5.900 3.760 3.544 3.987 . 0 0 "[ . 1]" 1
153 1 41 VAL MG1 1 95 LEU H . . 6.500 5.075 4.488 5.476 . 0 0 "[ . 1]" 1
154 1 41 VAL MG1 1 96 ILE H . . 4.400 3.990 3.449 4.384 . 0 0 "[ . 1]" 1
155 1 41 VAL MG2 1 96 ILE H . . 5.600 3.047 2.128 3.307 . 0 0 "[ . 1]" 1
156 1 42 ASP H 1 72 VAL MG2 . . 5.100 4.342 3.388 5.191 0.091 1 0 "[ . 1]" 1
157 1 42 ASP H 1 73 PHE QB . . 5.180 4.469 3.099 5.219 0.039 8 0 "[ . 1]" 1
158 1 42 ASP H 1 74 LYS QD . . 6.000 5.380 4.528 6.003 0.003 1 0 "[ . 1]" 1
159 1 42 ASP H 1 75 VAL H . . 3.500 3.590 3.227 3.690 0.190 7 0 "[ . 1]" 1
160 1 42 ASP H 1 75 VAL MG1 . . 4.500 3.218 3.030 3.537 . 0 0 "[ . 1]" 1
161 1 42 ASP HA 1 43 VAL H . . 2.900 2.155 2.139 2.188 . 0 0 "[ . 1]" 1
162 1 42 ASP HA 1 94 THR H . . 5.000 5.087 5.007 5.140 0.140 8 0 "[ . 1]" 1
163 1 42 ASP QB 1 43 VAL H . . 4.500 3.783 3.682 3.889 . 0 0 "[ . 1]" 1
164 1 42 ASP QB 1 75 VAL H . . 4.380 4.295 4.120 4.394 0.014 3 0 "[ . 1]" 1
165 1 43 VAL H 1 75 VAL H . . 5.000 4.544 4.181 4.750 . 0 0 "[ . 1]" 1
166 1 43 VAL H 1 75 VAL MG1 . . 5.100 3.477 3.251 3.654 . 0 0 "[ . 1]" 1
167 1 43 VAL H 1 92 GLN HA . . 5.800 4.814 4.668 4.957 . 0 0 "[ . 1]" 1
168 1 43 VAL H 1 92 GLN QG . . 5.900 5.919 5.280 6.448 0.548 7 1 "[ . + 1]" 1
169 1 43 VAL H 1 93 SER H . . 4.500 4.704 4.627 4.740 0.240 2 0 "[ . 1]" 1
170 1 43 VAL H 1 93 SER HA . . 5.200 3.854 3.579 4.057 . 0 0 "[ . 1]" 1
171 1 43 VAL H 1 93 SER QB . . 5.600 5.568 5.272 5.745 0.145 3 0 "[ . 1]" 1
172 1 43 VAL H 1 94 THR H . . 3.500 3.553 3.534 3.570 0.070 7 0 "[ . 1]" 1
173 1 43 VAL H 1 95 LEU HA . . 4.600 4.825 4.722 4.938 0.338 10 0 "[ . 1]" 1
174 1 43 VAL HA 1 44 TYR H . . 2.900 2.203 2.148 2.265 . 0 0 "[ . 1]" 1
175 1 43 VAL HA 1 75 VAL H . . 3.900 2.588 2.374 2.754 . 0 0 "[ . 1]" 1
176 1 43 VAL HA 1 76 ASN H . . 5.000 5.142 5.090 5.215 0.215 1 0 "[ . 1]" 1
177 1 43 VAL HA 1 77 PHE H . . 5.700 5.828 5.766 5.965 0.265 9 0 "[ . 1]" 1
178 1 43 VAL HB 1 44 TYR H . . 6.000 3.796 3.616 3.975 . 0 0 "[ . 1]" 1
179 1 43 VAL HB 1 93 SER H . . 3.000 3.047 2.904 3.196 0.196 10 0 "[ . 1]" 1
180 1 43 VAL HB 1 94 THR H . . 2.900 2.888 2.786 2.960 0.060 9 0 "[ . 1]" 1
181 1 43 VAL MG1 1 44 TYR H . . 5.300 2.301 2.038 2.565 . 0 0 "[ . 1]" 1
182 1 43 VAL MG1 1 75 VAL H . . 3.800 3.962 3.859 4.070 0.270 4 0 "[ . 1]" 1
183 1 43 VAL MG1 1 77 PHE H . . 4.500 3.679 3.425 3.846 . 0 0 "[ . 1]" 1
184 1 43 VAL MG1 1 91 GLN H . . 5.850 5.511 4.974 6.007 0.157 7 0 "[ . 1]" 1
185 1 43 VAL MG1 1 93 SER H . . 4.000 3.975 3.774 4.127 0.127 10 0 "[ . 1]" 1
186 1 43 VAL MG2 1 44 TYR H . . 5.300 4.164 4.043 4.270 . 0 0 "[ . 1]" 1
187 1 43 VAL MG2 1 77 PHE H . . 6.260 6.228 5.980 6.332 0.072 7 0 "[ . 1]" 1
188 1 44 TYR H 1 45 ALA H . . 5.000 4.440 4.351 4.493 . 0 0 "[ . 1]" 1
189 1 44 TYR H 1 74 LYS HA . . 5.600 5.194 4.680 5.526 . 0 0 "[ . 1]" 1
190 1 44 TYR H 1 75 VAL H . . 4.100 3.774 3.506 4.117 0.017 1 0 "[ . 1]" 1
191 1 44 TYR H 1 75 VAL HB . . 5.900 5.906 5.801 5.968 0.068 1 0 "[ . 1]" 1
192 1 44 TYR H 1 75 VAL MG1 . . 4.400 3.477 3.387 3.591 . 0 0 "[ . 1]" 1
193 1 44 TYR H 1 75 VAL MG2 . . 4.400 4.428 4.361 4.467 0.067 10 0 "[ . 1]" 1
194 1 44 TYR H 1 76 ASN H . . 5.000 4.734 4.622 4.862 . 0 0 "[ . 1]" 1
195 1 44 TYR H 1 76 ASN HA . . 4.510 2.814 2.692 2.966 . 0 0 "[ . 1]" 1
196 1 44 TYR H 1 92 GLN QB . . 6.000 3.036 2.710 3.353 . 0 0 "[ . 1]" 1
197 1 44 TYR H 1 92 GLN QG . . 5.000 4.039 3.372 4.711 . 0 0 "[ . 1]" 1
198 1 44 TYR HA 1 45 ALA H . . 2.900 2.332 2.191 2.420 . 0 0 "[ . 1]" 1
199 1 44 TYR QB 1 45 ALA H . . 3.900 2.809 2.438 3.260 . 0 0 "[ . 1]" 1
200 1 44 TYR QB 1 75 VAL H . . 5.740 4.600 4.146 4.994 . 0 0 "[ . 1]" 1
201 1 45 ALA H 1 46 ASP H . . 4.360 4.440 4.382 4.488 0.128 8 0 "[ . 1]" 1
202 1 45 ALA H 1 48 CYS H . . 4.820 3.791 3.150 4.563 . 0 0 "[ . 1]" 1
203 1 45 ALA H 1 52 LYS H . . 5.800 5.962 5.825 6.073 0.273 10 0 "[ . 1]" 1
204 1 45 ALA H 1 77 PHE H . . 5.500 5.561 5.525 5.630 0.130 8 0 "[ . 1]" 1
205 1 45 ALA H 1 92 GLN QB . . 5.830 3.614 2.971 3.990 . 0 0 "[ . 1]" 1
206 1 45 ALA H 1 92 GLN QG . . 4.500 3.504 2.673 4.561 0.061 2 0 "[ . 1]" 1
207 1 45 ALA HA 1 46 ASP H . . 2.900 2.510 2.435 2.593 . 0 0 "[ . 1]" 1
208 1 45 ALA HA 1 77 PHE H . . 4.200 3.383 3.275 3.478 . 0 0 "[ . 1]" 1
209 1 45 ALA MB 1 46 ASP H . . 3.900 2.290 2.141 2.478 . 0 0 "[ . 1]" 1
210 1 45 ALA MB 1 48 CYS H . . 3.910 2.528 2.287 2.970 . 0 0 "[ . 1]" 1
211 1 45 ALA MB 1 77 PHE H . . 4.500 4.071 3.596 4.559 0.059 2 0 "[ . 1]" 1
212 1 46 ASP H 1 48 CYS H . . 4.420 4.387 3.925 4.563 0.143 9 0 "[ . 1]" 1
213 1 47 TRP HA 1 48 CYS H . . 2.950 2.664 2.592 2.791 . 0 0 "[ . 1]" 1
214 1 47 TRP QB 1 48 CYS H . . 6.000 3.956 3.891 4.012 . 0 0 "[ . 1]" 1
215 1 48 CYS H 1 50 VAL H . . 5.000 4.947 4.627 5.169 0.169 10 0 "[ . 1]" 1
216 1 48 CYS H 1 51 CYS H . . 4.300 4.297 4.090 4.383 0.083 7 0 "[ . 1]" 1
217 1 48 CYS H 1 52 LYS H . . 5.130 4.620 4.298 4.897 . 0 0 "[ . 1]" 1
218 1 48 CYS H 1 52 LYS QB . . 5.670 4.431 4.144 4.703 . 0 0 "[ . 1]" 1
219 1 48 CYS H 1 92 GLN QB . . 5.660 5.665 5.087 5.927 0.267 10 0 "[ . 1]" 1
220 1 50 VAL H 1 52 LYS H . . 3.670 3.594 3.458 3.694 0.024 8 0 "[ . 1]" 1
221 1 50 VAL H 1 52 LYS QB . . 5.000 4.418 4.205 4.653 . 0 0 "[ . 1]" 1
222 1 50 VAL H 1 53 ARG H . . 5.200 4.437 4.360 4.553 . 0 0 "[ . 1]" 1
223 1 50 VAL H 1 93 SER QB . . 5.500 5.201 4.917 5.504 0.004 9 0 "[ . 1]" 1
224 1 50 VAL H 1 110 GLU QB . . 5.500 5.563 5.403 5.681 0.181 9 0 "[ . 1]" 1
225 1 50 VAL HA 1 51 CYS H . . 3.500 3.560 3.533 3.571 0.071 7 0 "[ . 1]" 1
226 1 50 VAL HA 1 53 ARG H . . 3.500 3.613 3.544 3.699 0.199 9 0 "[ . 1]" 1
227 1 50 VAL HB 1 51 CYS H . . 3.900 2.605 2.127 3.668 . 0 0 "[ . 1]" 1
228 1 50 VAL MG1 1 51 CYS H . . 5.300 3.471 2.652 3.987 . 0 0 "[ . 1]" 1
229 1 50 VAL MG1 1 52 LYS H . . 7.400 4.916 4.415 5.380 . 0 0 "[ . 1]" 1
230 1 50 VAL MG2 1 51 CYS H . . 5.300 3.123 1.871 3.757 . 0 0 "[ . 1]" 1
231 1 50 VAL MG2 1 52 LYS H . . 7.400 4.662 3.849 5.111 . 0 0 "[ . 1]" 1
232 1 51 CYS H 1 52 LYS H . . 2.900 2.498 2.363 2.617 . 0 0 "[ . 1]" 1
233 1 51 CYS H 1 52 LYS HA . . 4.930 5.126 5.012 5.216 0.286 6 0 "[ . 1]" 1
234 1 51 CYS H 1 52 LYS QB . . 4.500 4.265 4.139 4.378 . 0 0 "[ . 1]" 1
235 1 51 CYS H 1 53 ARG QB . . 5.350 5.259 5.094 5.470 0.120 6 0 "[ . 1]" 1
236 1 51 CYS H 1 54 GLN H . . 4.410 4.587 4.538 4.654 0.244 3 0 "[ . 1]" 1
237 1 51 CYS H 1 93 SER HA . . 5.850 5.970 5.890 6.104 0.254 10 0 "[ . 1]" 1
238 1 51 CYS HA 1 52 LYS H . . 3.500 3.455 3.435 3.500 . 0 0 "[ . 1]" 1
239 1 51 CYS HA 1 53 ARG H . . 4.160 4.300 4.274 4.333 0.173 5 0 "[ . 1]" 1
240 1 51 CYS HA 1 54 GLN H . . 4.380 3.388 3.274 3.479 . 0 0 "[ . 1]" 1
241 1 51 CYS HA 1 55 GLU H . . 5.060 4.152 3.958 4.466 . 0 0 "[ . 1]" 1
242 1 51 CYS QB 1 52 LYS H . . 3.900 3.276 2.858 3.640 . 0 0 "[ . 1]" 1
243 1 51 CYS QB 1 55 GLU H . . 6.000 5.342 4.934 5.833 . 0 0 "[ . 1]" 1
244 1 52 LYS H 1 53 ARG H . . 2.900 2.400 2.307 2.520 . 0 0 "[ . 1]" 1
245 1 52 LYS H 1 54 GLN H . . 3.500 3.663 3.603 3.746 0.246 10 0 "[ . 1]" 1
246 1 52 LYS H 1 55 GLU H . . 4.620 4.728 4.662 4.900 0.280 5 0 "[ . 1]" 1
247 1 52 LYS HA 1 53 ARG H . . 3.900 3.505 3.491 3.516 . 0 0 "[ . 1]" 1
248 1 52 LYS HA 1 55 GLU H . . 4.060 3.756 3.685 3.897 . 0 0 "[ . 1]" 1
249 1 52 LYS QB 1 53 ARG H . . 3.900 2.750 2.680 2.796 . 0 0 "[ . 1]" 1
250 1 52 LYS QG 1 53 ARG H . . 6.000 4.024 3.446 4.322 . 0 0 "[ . 1]" 1
251 1 52 LYS QG 1 55 GLU H . . 5.380 5.149 4.990 5.314 . 0 0 "[ . 1]" 1
252 1 53 ARG H 1 54 GLN H . . 2.900 2.266 2.251 2.287 . 0 0 "[ . 1]" 1
253 1 53 ARG H 1 55 GLU H . . 3.730 3.838 3.790 3.923 0.193 5 0 "[ . 1]" 1
254 1 53 ARG HA 1 54 GLN H . . 3.290 3.444 3.440 3.453 0.163 3 0 "[ . 1]" 1
255 1 53 ARG QB 1 54 GLN H . . 3.900 2.965 2.933 2.992 . 0 0 "[ . 1]" 1
256 1 53 ARG QD 1 54 GLN H . . 6.000 5.026 3.628 5.426 . 0 0 "[ . 1]" 1
257 1 53 ARG QG 1 54 GLN H . . 4.500 4.121 3.877 4.367 . 0 0 "[ . 1]" 1
258 1 54 GLN H 1 55 GLU H . . 2.900 2.373 2.346 2.479 . 0 0 "[ . 1]" 1
259 1 54 GLN H 1 55 GLU HA . . 5.000 4.930 4.892 5.021 0.021 5 0 "[ . 1]" 1
260 1 54 GLN H 1 56 ARG H . . 4.200 4.200 4.032 4.269 0.069 5 0 "[ . 1]" 1
261 1 54 GLN H 1 57 GLU H . . 5.000 5.155 5.098 5.201 0.201 10 0 "[ . 1]" 1
262 1 54 GLN HA 1 55 GLU H . . 3.270 3.431 3.422 3.446 0.176 9 0 "[ . 1]" 1
263 1 54 GLN HA 1 56 ARG H . . 4.360 3.596 3.493 3.794 . 0 0 "[ . 1]" 1
264 1 54 GLN QB 1 55 GLU H . . 6.000 3.084 2.973 3.636 . 0 0 "[ . 1]" 1
265 1 54 GLN QG 1 55 GLU H . . 4.500 3.816 2.353 4.312 . 0 0 "[ . 1]" 1
266 1 55 GLU H 1 56 ARG H . . 2.900 2.672 2.468 2.733 . 0 0 "[ . 1]" 1
267 1 55 GLU H 1 57 GLU H . . 5.000 4.179 4.086 4.250 . 0 0 "[ . 1]" 1
268 1 55 GLU H 1 58 LEU H . . 5.000 5.017 4.828 5.150 0.150 8 0 "[ . 1]" 1
269 1 55 GLU HA 1 56 ARG H . . 3.240 3.454 3.438 3.467 0.227 9 0 "[ . 1]" 1
270 1 55 GLU HA 1 58 LEU H . . 3.420 3.546 3.457 3.611 0.191 4 0 "[ . 1]" 1
271 1 55 GLU QB 1 56 ARG H . . 3.900 3.277 2.923 3.623 . 0 0 "[ . 1]" 1
272 1 55 GLU QG 1 56 ARG H . . 3.900 3.079 2.140 3.951 0.051 5 0 "[ . 1]" 1
273 1 56 ARG H 1 57 GLU H . . 2.900 2.382 2.302 2.456 . 0 0 "[ . 1]" 1
274 1 56 ARG H 1 57 GLU HA . . 5.000 5.060 4.997 5.114 0.114 9 0 "[ . 1]" 1
275 1 56 ARG H 1 57 GLU QG . . 4.500 4.294 3.516 4.494 . 0 0 "[ . 1]" 1
276 1 56 ARG HA 1 57 GLU H . . 3.500 3.490 3.476 3.504 0.004 6 0 "[ . 1]" 1
277 1 56 ARG QB 1 57 GLU H . . 3.900 3.027 2.736 3.555 . 0 0 "[ . 1]" 1
278 1 56 ARG QB 1 59 THR H . . 5.600 5.726 5.681 5.853 0.253 4 0 "[ . 1]" 1
279 1 56 ARG QD 1 57 GLU H . . 4.500 3.805 2.826 4.563 0.063 4 0 "[ . 1]" 1
280 1 56 ARG QD 1 59 THR H . . 5.000 4.974 4.790 5.043 0.043 10 0 "[ . 1]" 1
281 1 56 ARG QG 1 57 GLU H . . 3.900 3.350 2.116 3.981 0.081 7 0 "[ . 1]" 1
282 1 57 GLU H 1 58 LEU H . . 2.900 2.409 2.331 2.467 . 0 0 "[ . 1]" 1
283 1 57 GLU HA 1 58 LEU H . . 3.500 3.287 3.240 3.314 . 0 0 "[ . 1]" 1
284 1 57 GLU HA 1 61 LEU H . . 5.000 3.825 3.642 4.041 . 0 0 "[ . 1]" 1
285 1 57 GLU QB 1 58 LEU H . . 3.900 3.384 3.285 3.831 . 0 0 "[ . 1]" 1
286 1 57 GLU QB 1 61 LEU H . . 3.690 3.541 3.313 3.715 0.025 10 0 "[ . 1]" 1
287 1 57 GLU QB 1 62 PHE H . . 5.290 5.525 5.411 5.627 0.337 5 0 "[ . 1]" 1
288 1 57 GLU QG 1 58 LEU H . . 4.500 4.318 2.991 4.504 0.004 8 0 "[ . 1]" 1
289 1 57 GLU QG 1 61 LEU H . . 6.000 5.194 4.667 5.540 . 0 0 "[ . 1]" 1
290 1 58 LEU H 1 59 THR H . . 2.900 2.663 2.644 2.684 . 0 0 "[ . 1]" 1
291 1 58 LEU H 1 59 THR HA . . 5.140 5.225 5.205 5.247 0.107 8 0 "[ . 1]" 1
292 1 58 LEU H 1 61 LEU H . . 5.110 4.850 4.787 4.914 . 0 0 "[ . 1]" 1
293 1 58 LEU HA 1 59 THR H . . 3.250 3.399 3.390 3.413 0.163 9 0 "[ . 1]" 1
294 1 58 LEU QB 1 59 THR H . . 4.500 3.412 3.097 3.617 . 0 0 "[ . 1]" 1
295 1 58 LEU MD1 1 59 THR H . . 5.300 4.348 3.715 4.543 . 0 0 "[ . 1]" 1
296 1 58 LEU MD2 1 59 THR H . . 5.300 3.569 2.101 4.746 . 0 0 "[ . 1]" 1
297 1 58 LEU HG 1 59 THR H . . 3.900 3.539 2.731 3.930 0.030 1 0 "[ . 1]" 1
298 1 59 THR H 1 61 LEU H . . 3.590 3.634 3.477 3.743 0.153 1 0 "[ . 1]" 1
299 1 59 THR HA 1 62 PHE H . . 5.000 3.903 3.716 4.025 . 0 0 "[ . 1]" 1
300 1 61 LEU H 1 62 PHE H . . 2.900 2.510 2.282 2.639 . 0 0 "[ . 1]" 1
301 1 61 LEU H 1 63 ALA H . . 4.270 3.868 3.644 4.016 . 0 0 "[ . 1]" 1
302 1 61 LEU H 1 64 GLN H . . 5.800 5.903 5.800 5.977 0.177 10 0 "[ . 1]" 1
303 1 61 LEU H 1 64 GLN QG . . 6.000 5.751 5.215 6.103 0.103 6 0 "[ . 1]" 1
304 1 61 LEU HA 1 62 PHE H . . 3.330 3.446 3.431 3.459 0.129 7 0 "[ . 1]" 1
305 1 61 LEU QB 1 62 PHE H . . 3.900 2.934 2.891 2.988 . 0 0 "[ . 1]" 1
306 1 61 LEU QB 1 63 ALA H . . 4.500 4.601 4.551 4.631 0.131 9 0 "[ . 1]" 1
307 1 61 LEU MD1 1 62 PHE H . . 5.300 5.023 4.808 5.135 . 0 0 "[ . 1]" 1
308 1 61 LEU MD2 1 62 PHE H . . 5.300 4.194 3.625 4.844 . 0 0 "[ . 1]" 1
309 1 61 LEU MD2 1 63 ALA H . . 7.400 5.474 5.066 6.288 . 0 0 "[ . 1]" 1
310 1 61 LEU HG 1 62 PHE H . . 4.700 4.605 4.468 4.709 0.009 1 0 "[ . 1]" 1
311 1 62 PHE H 1 63 ALA H . . 2.900 2.237 2.064 2.331 . 0 0 "[ . 1]" 1
312 1 62 PHE H 1 63 ALA MB . . 3.460 3.577 3.545 3.623 0.163 7 0 "[ . 1]" 1
313 1 62 PHE H 1 64 GLN H . . 4.120 4.254 4.210 4.316 0.196 5 0 "[ . 1]" 1
314 1 62 PHE HA 1 63 ALA H . . 3.000 3.139 3.059 3.282 0.282 8 0 "[ . 1]" 1
315 1 62 PHE QB 1 63 ALA H . . 3.900 3.628 3.563 3.703 . 0 0 "[ . 1]" 1
316 1 63 ALA H 1 64 GLN H . . 2.900 2.390 2.219 2.685 . 0 0 "[ . 1]" 1
317 1 63 ALA H 1 116 LEU MD1 . . 6.150 5.141 4.830 5.529 . 0 0 "[ . 1]" 1
318 1 63 ALA H 1 116 LEU MD2 . . 6.070 6.176 6.134 6.260 0.190 6 0 "[ . 1]" 1
319 1 63 ALA HA 1 64 GLN H . . 3.200 3.343 3.261 3.418 0.218 8 0 "[ . 1]" 1
320 1 63 ALA MB 1 64 GLN H . . 3.900 3.204 3.056 3.333 . 0 0 "[ . 1]" 1
321 1 64 GLN H 1 119 PHE QB . . 5.890 5.172 4.428 5.903 0.013 10 0 "[ . 1]" 1
322 1 64 GLN QG 1 66 ALA H . . 6.000 4.786 4.370 5.412 . 0 0 "[ . 1]" 1
323 1 66 ALA H 1 67 GLN H . . 2.900 2.308 2.170 2.470 . 0 0 "[ . 1]" 1
324 1 66 ALA H 1 67 GLN HA . . 4.780 4.849 4.776 4.935 0.155 7 0 "[ . 1]" 1
325 1 66 ALA H 1 69 ASP QB . . 6.050 6.087 5.960 6.178 0.128 8 0 "[ . 1]" 1
326 1 66 ALA H 1 70 LEU QB . . 5.760 5.404 4.474 5.747 . 0 0 "[ . 1]" 1
327 1 66 ALA H 1 70 LEU MD2 . . 7.400 5.257 3.718 6.289 . 0 0 "[ . 1]" 1
328 1 66 ALA HA 1 67 GLN H . . 3.340 3.381 3.251 3.543 0.203 7 0 "[ . 1]" 1
329 1 66 ALA MB 1 67 GLN H . . 3.900 3.080 2.632 3.344 . 0 0 "[ . 1]" 1
330 1 67 GLN H 1 68 ARG H . . 2.900 2.506 1.792 2.621 . 0 0 "[ . 1]" 1
331 1 67 GLN H 1 68 ARG QB . . 4.200 4.274 4.032 4.398 0.198 5 0 "[ . 1]" 1
332 1 67 GLN HA 1 68 ARG H . . 3.360 3.369 3.320 3.411 0.051 8 0 "[ . 1]" 1
333 1 67 GLN QB 1 68 ARG H . . 6.000 3.459 3.104 3.763 . 0 0 "[ . 1]" 1
334 1 67 GLN QB 1 69 ASP H . . 6.000 5.070 4.862 5.336 . 0 0 "[ . 1]" 1
335 1 67 GLN QB 1 70 LEU H . . 6.000 4.837 4.654 5.079 . 0 0 "[ . 1]" 1
336 1 67 GLN QG 1 68 ARG H . . 4.500 3.458 2.457 4.483 . 0 0 "[ . 1]" 1
337 1 68 ARG H 1 70 LEU H . . 3.410 3.539 3.312 3.623 0.213 1 0 "[ . 1]" 1
338 1 68 ARG HA 1 69 ASP H . . 3.360 3.487 3.448 3.535 0.175 1 0 "[ . 1]" 1
339 1 68 ARG QB 1 69 ASP H . . 3.900 2.882 2.582 3.584 . 0 0 "[ . 1]" 1
340 1 68 ARG QD 1 69 ASP H . . 4.500 4.127 3.117 4.526 0.026 6 0 "[ . 1]" 1
341 1 68 ARG QG 1 69 ASP H . . 3.900 3.654 2.269 3.914 0.014 6 0 "[ . 1]" 1
342 1 69 ASP H 1 70 LEU QB . . 3.900 3.711 3.607 3.911 0.011 1 0 "[ . 1]" 1
343 1 69 ASP HA 1 70 LEU H . . 3.040 3.208 3.148 3.271 0.231 5 0 "[ . 1]" 1
344 1 69 ASP QB 1 70 LEU H . . 4.500 3.481 3.386 3.563 . 0 0 "[ . 1]" 1
345 1 70 LEU H 1 71 ARG H . . 4.370 4.332 4.209 4.417 0.047 4 0 "[ . 1]" 1
346 1 70 LEU H 1 72 VAL MG1 . . 7.400 6.398 5.755 7.615 0.215 1 0 "[ . 1]" 1
347 1 70 LEU HA 1 71 ARG H . . 2.900 2.180 2.141 2.245 . 0 0 "[ . 1]" 1
348 1 70 LEU QB 1 71 ARG H . . 3.900 3.590 2.976 3.873 . 0 0 "[ . 1]" 1
349 1 70 LEU MD1 1 71 ARG H . . 5.300 3.092 1.933 4.047 . 0 0 "[ . 1]" 1
350 1 70 LEU MD2 1 71 ARG H . . 5.300 4.310 3.493 5.085 . 0 0 "[ . 1]" 1
351 1 70 LEU HG 1 71 ARG H . . 3.900 3.178 2.135 3.961 0.061 4 0 "[ . 1]" 1
352 1 71 ARG H 1 72 VAL HA . . 5.540 5.364 5.066 5.559 0.019 1 0 "[ . 1]" 1
353 1 71 ARG H 1 72 VAL MG1 . . 7.400 5.561 5.202 6.805 . 0 0 "[ . 1]" 1
354 1 71 ARG HA 1 72 VAL H . . 2.900 2.458 2.265 2.577 . 0 0 "[ . 1]" 1
355 1 71 ARG QB 1 72 VAL H . . 3.900 2.338 2.084 2.734 . 0 0 "[ . 1]" 1
356 1 71 ARG QD 1 72 VAL H . . 6.000 4.712 4.066 5.057 . 0 0 "[ . 1]" 1
357 1 71 ARG QG 1 72 VAL H . . 3.960 3.578 3.013 4.039 0.079 8 0 "[ . 1]" 1
358 1 72 VAL H 1 73 PHE H . . 4.020 4.029 3.905 4.139 0.119 10 0 "[ . 1]" 1
359 1 72 VAL HA 1 73 PHE H . . 2.900 2.151 2.140 2.180 . 0 0 "[ . 1]" 1
360 1 72 VAL HB 1 73 PHE H . . 4.500 4.268 4.101 4.480 . 0 0 "[ . 1]" 1
361 1 72 VAL MG1 1 73 PHE H . . 5.300 4.068 2.891 4.291 . 0 0 "[ . 1]" 1
362 1 72 VAL MG1 1 74 LYS H . . 7.400 5.182 3.902 6.178 . 0 0 "[ . 1]" 1
363 1 72 VAL MG2 1 73 PHE H . . 5.300 2.929 2.489 3.735 . 0 0 "[ . 1]" 1
364 1 73 PHE H 1 74 LYS H . . 4.300 4.442 4.378 4.529 0.229 3 0 "[ . 1]" 1
365 1 73 PHE HA 1 74 LYS H . . 2.900 2.189 2.148 2.415 . 0 0 "[ . 1]" 1
366 1 73 PHE QB 1 74 LYS H . . 6.000 3.284 2.383 3.734 . 0 0 "[ . 1]" 1
367 1 74 LYS H 1 75 VAL H . . 4.300 4.377 3.983 4.542 0.242 9 0 "[ . 1]" 1
368 1 74 LYS H 1 75 VAL MG1 . . 7.400 5.206 4.815 5.413 . 0 0 "[ . 1]" 1
369 1 74 LYS HA 1 75 VAL H . . 3.500 2.183 2.147 2.207 . 0 0 "[ . 1]" 1
370 1 74 LYS QB 1 75 VAL H . . 6.000 3.389 3.017 3.711 . 0 0 "[ . 1]" 1
371 1 74 LYS QD 1 75 VAL H . . 6.000 4.843 3.593 5.412 . 0 0 "[ . 1]" 1
372 1 74 LYS QG 1 75 VAL H . . 4.500 3.492 2.432 4.395 . 0 0 "[ . 1]" 1
373 1 75 VAL H 1 76 ASN HA . . 5.000 4.895 4.714 5.097 0.097 1 0 "[ . 1]" 1
374 1 75 VAL HA 1 76 ASN H . . 2.900 2.172 2.141 2.222 . 0 0 "[ . 1]" 1
375 1 75 VAL HB 1 76 ASN H . . 4.500 4.109 3.911 4.284 . 0 0 "[ . 1]" 1
376 1 75 VAL MG1 1 76 ASN H . . 5.900 4.123 3.913 4.268 . 0 0 "[ . 1]" 1
377 1 75 VAL MG2 1 76 ASN H . . 5.300 2.585 2.060 2.969 . 0 0 "[ . 1]" 1
378 1 76 ASN H 1 77 PHE H . . 4.500 4.567 4.532 4.593 0.093 2 0 "[ . 1]" 1
379 1 76 ASN H 1 78 ASP H . . 4.400 4.562 4.493 4.623 0.223 8 0 "[ . 1]" 1
380 1 76 ASN H 1 79 THR H . . 3.800 3.944 3.820 4.111 0.311 7 0 "[ . 1]" 1
381 1 76 ASN HA 1 77 PHE H . . 2.900 2.293 2.266 2.315 . 0 0 "[ . 1]" 1
382 1 76 ASN QB 1 77 PHE H . . 4.500 3.055 2.680 3.454 . 0 0 "[ . 1]" 1
383 1 76 ASN QB 1 78 ASP H . . 5.850 2.424 2.090 2.877 . 0 0 "[ . 1]" 1
384 1 76 ASN QB 1 79 THR H . . 4.050 3.148 2.887 3.387 . 0 0 "[ . 1]" 1
385 1 77 PHE H 1 78 ASP H . . 2.900 2.666 2.609 2.711 . 0 0 "[ . 1]" 1
386 1 77 PHE H 1 78 ASP QB . . 5.000 4.794 4.625 4.892 . 0 0 "[ . 1]" 1
387 1 77 PHE H 1 79 THR H . . 4.240 4.239 4.186 4.299 0.059 7 0 "[ . 1]" 1
388 1 77 PHE H 1 79 THR HB . . 5.980 6.063 6.031 6.126 0.146 9 0 "[ . 1]" 1
389 1 77 PHE H 1 80 GLN H . . 5.020 4.796 4.687 4.944 . 0 0 "[ . 1]" 1
390 1 77 PHE HA 1 78 ASP H . . 3.190 3.385 3.349 3.414 0.224 9 0 "[ . 1]" 1
391 1 77 PHE QB 1 78 ASP H . . 3.900 3.659 3.136 3.764 . 0 0 "[ . 1]" 1
392 1 78 ASP H 1 79 THR H . . 2.900 2.420 2.297 2.535 . 0 0 "[ . 1]" 1
393 1 78 ASP H 1 79 THR HG1 . . 3.900 3.732 3.434 3.962 0.062 9 0 "[ . 1]" 1
394 1 78 ASP HA 1 79 THR H . . 3.300 3.391 3.350 3.425 0.125 9 0 "[ . 1]" 1
395 1 78 ASP QB 1 79 THR H . . 6.000 3.118 3.035 3.219 . 0 0 "[ . 1]" 1
396 1 78 ASP QB 1 81 LYS H . . 5.300 5.435 5.313 5.528 0.228 1 0 "[ . 1]" 1
397 1 79 THR H 1 80 GLN H . . 2.900 1.992 1.951 2.121 . 0 0 "[ . 1]" 1
398 1 79 THR H 1 80 GLN HA . . 4.540 4.744 4.714 4.835 0.295 7 0 "[ . 1]" 1
399 1 79 THR H 1 81 LYS H . . 3.580 3.638 3.585 3.712 0.132 8 0 "[ . 1]" 1
400 1 79 THR HB 1 80 GLN H . . 3.900 2.939 2.650 3.057 . 0 0 "[ . 1]" 1
401 1 79 THR HB 1 81 LYS H . . 5.000 4.935 4.755 5.020 0.020 6 0 "[ . 1]" 1
402 1 79 THR HG1 1 80 GLN H . . 3.900 3.922 3.837 3.963 0.063 10 0 "[ . 1]" 1
403 1 80 GLN H 1 81 LYS H . . 2.900 2.571 2.422 2.709 . 0 0 "[ . 1]" 1
404 1 80 GLN HA 1 81 LYS H . . 2.900 3.023 2.990 3.045 0.145 5 0 "[ . 1]" 1
405 1 80 GLN QB 1 81 LYS H . . 4.500 3.844 3.673 4.015 . 0 0 "[ . 1]" 1
406 1 80 GLN QB 1 83 ALA H . . 3.500 3.538 3.446 3.647 0.147 8 0 "[ . 1]" 1
407 1 80 GLN QG 1 81 LYS H . . 4.500 4.037 3.354 4.647 0.147 10 0 "[ . 1]" 1
408 1 80 GLN QG 1 83 ALA H . . 6.000 4.106 3.511 4.635 . 0 0 "[ . 1]" 1
409 1 81 LYS H 1 82 ALA H . . 3.500 2.743 2.683 2.890 . 0 0 "[ . 1]" 1
410 1 81 LYS H 1 83 ALA MB . . 5.000 4.925 4.792 5.099 0.099 4 0 "[ . 1]" 1
411 1 81 LYS H 1 84 LEU MD1 . . 4.000 4.123 3.765 4.343 0.343 5 0 "[ . 1]" 1
412 1 81 LYS HA 1 83 ALA H . . 4.240 3.738 3.562 4.074 . 0 0 "[ . 1]" 1
413 1 81 LYS HA 1 84 LEU H . . 3.640 3.658 3.440 3.847 0.207 10 0 "[ . 1]" 1
414 1 81 LYS QB 1 82 ALA H . . 6.000 3.226 2.479 3.716 . 0 0 "[ . 1]" 1
415 1 81 LYS QD 1 82 ALA H . . 6.000 4.816 3.533 5.330 . 0 0 "[ . 1]" 1
416 1 81 LYS QG 1 82 ALA H . . 6.000 3.481 2.293 4.642 . 0 0 "[ . 1]" 1
417 1 82 ALA H 1 83 ALA H . . 2.900 2.488 2.368 2.749 . 0 0 "[ . 1]" 1
418 1 82 ALA H 1 84 LEU H . . 5.000 4.547 4.407 4.656 . 0 0 "[ . 1]" 1
419 1 82 ALA HA 1 83 ALA H . . 3.330 3.381 3.309 3.525 0.195 4 0 "[ . 1]" 1
420 1 82 ALA MB 1 83 ALA H . . 3.900 3.052 2.622 3.223 . 0 0 "[ . 1]" 1
421 1 82 ALA MB 1 84 LEU H . . 4.800 5.021 4.872 5.115 0.315 8 0 "[ . 1]" 1
422 1 82 ALA MB 1 85 GLN H . . 5.000 4.682 4.610 4.825 . 0 0 "[ . 1]" 1
423 1 82 ALA MB 1 86 GLN H . . 4.600 4.563 4.418 4.725 0.125 1 0 "[ . 1]" 1
424 1 83 ALA H 1 84 LEU H . . 2.900 2.555 2.418 2.799 . 0 0 "[ . 1]" 1
425 1 83 ALA H 1 84 LEU MD1 . . 4.500 3.426 2.861 4.587 0.087 4 0 "[ . 1]" 1
426 1 83 ALA H 1 86 GLN H . . 4.300 4.423 4.368 4.470 0.170 4 0 "[ . 1]" 1
427 1 83 ALA HA 1 84 LEU H . . 3.500 3.564 3.550 3.572 0.072 4 0 "[ . 1]" 1
428 1 83 ALA MB 1 84 LEU H . . 3.900 2.427 2.371 2.564 . 0 0 "[ . 1]" 1
429 1 83 ALA MB 1 85 GLN H . . 4.680 4.161 4.096 4.382 . 0 0 "[ . 1]" 1
430 1 83 ALA MB 1 86 GLN H . . 4.500 4.609 4.384 4.687 0.187 3 0 "[ . 1]" 1
431 1 84 LEU H 1 85 GLN HA . . 4.910 5.070 4.995 5.252 0.342 4 0 "[ . 1]" 1
432 1 84 LEU H 1 86 GLN H . . 5.000 4.005 3.821 4.049 . 0 0 "[ . 1]" 1
433 1 84 LEU H 1 87 PHE H . . 4.500 4.681 4.544 4.729 0.229 4 0 "[ . 1]" 1
434 1 84 LEU H 1 87 PHE QB . . 6.000 5.024 4.887 5.130 . 0 0 "[ . 1]" 1
435 1 84 LEU H 1 89 VAL H . . 5.000 4.941 4.663 5.069 0.069 7 0 "[ . 1]" 1
436 1 84 LEU HA 1 85 GLN H . . 3.340 3.429 3.397 3.501 0.161 2 0 "[ . 1]" 1
437 1 84 LEU QB 1 85 GLN H . . 3.900 3.505 2.797 3.623 . 0 0 "[ . 1]" 1
438 1 84 LEU MD1 1 85 GLN H . . 5.300 3.097 2.266 3.507 . 0 0 "[ . 1]" 1
439 1 84 LEU MD1 1 86 GLN H . . 7.400 4.845 4.296 5.118 . 0 0 "[ . 1]" 1
440 1 84 LEU MD1 1 87 PHE H . . 5.300 5.514 5.388 5.648 0.348 2 0 "[ . 1]" 1
441 1 84 LEU MD1 1 89 VAL H . . 5.000 4.830 4.199 5.141 0.141 7 0 "[ . 1]" 1
442 1 84 LEU MD1 1 91 GLN H . . 5.800 4.858 3.417 5.842 0.042 5 0 "[ . 1]" 1
443 1 84 LEU HG 1 85 GLN H . . 4.200 3.901 2.718 4.421 0.221 7 0 "[ . 1]" 1
444 1 85 GLN H 1 86 GLN H . . 2.900 2.326 2.284 2.466 . 0 0 "[ . 1]" 1
445 1 85 GLN H 1 88 ARG H . . 5.220 4.365 4.176 4.697 . 0 0 "[ . 1]" 1
446 1 85 GLN H 1 89 VAL H . . 4.960 4.723 4.443 5.066 0.106 7 0 "[ . 1]" 1
447 1 85 GLN HA 1 86 GLN H . . 3.290 3.464 3.441 3.477 0.187 10 0 "[ . 1]" 1
448 1 85 GLN HA 1 88 ARG H . . 4.200 3.711 3.551 3.811 . 0 0 "[ . 1]" 1
449 1 85 GLN QB 1 86 GLN H . . 6.000 2.902 2.858 2.962 . 0 0 "[ . 1]" 1
450 1 85 GLN QG 1 86 GLN H . . 6.000 4.096 3.836 4.390 . 0 0 "[ . 1]" 1
451 1 86 GLN H 1 87 PHE HA . . 5.000 4.960 4.923 5.002 0.002 5 0 "[ . 1]" 1
452 1 86 GLN H 1 88 ARG H . . 3.200 3.392 3.297 3.540 0.340 5 0 "[ . 1]" 1
453 1 86 GLN H 1 89 VAL H . . 4.690 4.887 4.796 5.009 0.319 9 0 "[ . 1]" 1
454 1 86 GLN HA 1 87 PHE H . . 3.500 3.520 3.508 3.534 0.034 5 0 "[ . 1]" 1
455 1 86 GLN QB 1 87 PHE H . . 3.900 2.655 2.598 2.707 . 0 0 "[ . 1]" 1
456 1 86 GLN QG 1 87 PHE H . . 4.500 3.779 3.542 4.216 . 0 0 "[ . 1]" 1
457 1 87 PHE H 1 88 ARG H . . 2.900 2.297 2.192 2.493 . 0 0 "[ . 1]" 1
458 1 87 PHE H 1 89 VAL H . . 5.500 3.761 3.448 3.942 . 0 0 "[ . 1]" 1
459 1 87 PHE HA 1 88 ARG H . . 3.100 3.286 3.126 3.348 0.248 9 0 "[ . 1]" 1
460 1 87 PHE QB 1 88 ARG H . . 4.500 3.340 3.216 3.584 . 0 0 "[ . 1]" 1
461 1 87 PHE QB 1 89 VAL H . . 3.900 3.241 2.501 3.543 . 0 0 "[ . 1]" 1
462 1 88 ARG H 1 89 VAL H . . 2.900 2.727 2.621 2.976 0.076 5 0 "[ . 1]" 1
463 1 88 ARG H 1 89 VAL HA . . 5.150 5.251 5.148 5.400 0.250 5 0 "[ . 1]" 1
464 1 88 ARG H 1 89 VAL MG1 . . 5.900 5.304 3.883 5.913 0.013 7 0 "[ . 1]" 1
465 1 88 ARG HA 1 89 VAL H . . 2.900 2.795 2.633 3.130 0.230 7 0 "[ . 1]" 1
466 1 88 ARG QB 1 89 VAL H . . 4.500 3.867 3.606 4.038 . 0 0 "[ . 1]" 1
467 1 88 ARG QD 1 89 VAL H . . 6.000 5.531 4.857 5.797 . 0 0 "[ . 1]" 1
468 1 88 ARG QG 1 89 VAL H . . 4.500 4.302 3.978 4.513 0.013 4 0 "[ . 1]" 1
469 1 89 VAL H 1 90 SER H . . 4.100 4.274 4.075 4.457 0.357 4 0 "[ . 1]" 1
470 1 89 VAL HA 1 90 SER H . . 3.500 2.484 2.149 2.746 . 0 0 "[ . 1]" 1
471 1 89 VAL HB 1 90 SER H . . 6.000 3.241 2.271 4.384 . 0 0 "[ . 1]" 1
472 1 89 VAL MG1 1 90 SER H . . 7.400 2.631 1.980 4.056 . 0 0 "[ . 1]" 1
473 1 89 VAL MG2 1 90 SER H . . 7.400 3.381 1.931 4.284 . 0 0 "[ . 1]" 1
474 1 89 VAL MG2 1 91 GLN H . . 5.800 4.611 3.383 5.451 . 0 0 "[ . 1]" 1
475 1 90 SER H 1 91 GLN H . . 2.900 2.936 2.561 3.124 0.224 9 0 "[ . 1]" 1
476 1 90 SER HA 1 91 GLN H . . 2.900 2.548 2.306 3.492 0.592 9 1 "[ . +1]" 1
477 1 90 SER QB 1 91 GLN H . . 4.500 3.768 2.271 4.044 . 0 0 "[ . 1]" 1
478 1 91 GLN H 1 92 GLN H . . 4.150 4.178 3.476 4.447 0.297 7 0 "[ . 1]" 1
479 1 91 GLN HA 1 92 GLN H . . 3.310 2.337 2.153 2.767 . 0 0 "[ . 1]" 1
480 1 91 GLN QB 1 92 GLN H . . 3.900 3.033 2.004 3.872 . 0 0 "[ . 1]" 1
481 1 91 GLN QG 1 92 GLN H . . 3.900 3.001 2.179 3.987 0.087 9 0 "[ . 1]" 1
482 1 92 GLN H 1 93 SER H . . 3.690 3.634 3.513 3.825 0.135 9 0 "[ . 1]" 1
483 1 92 GLN H 1 94 THR H . . 5.290 5.377 5.229 5.511 0.221 9 0 "[ . 1]" 1
484 1 92 GLN H 1 108 ILE MD . . 5.950 5.170 4.811 5.558 . 0 0 "[ . 1]" 1
485 1 92 GLN H 1 108 ILE QG . . 5.930 5.647 5.527 5.935 0.005 9 0 "[ . 1]" 1
486 1 92 GLN HA 1 93 SER H . . 3.550 2.379 2.349 2.418 . 0 0 "[ . 1]" 1
487 1 92 GLN QB 1 93 SER H . . 4.100 3.869 3.843 3.944 . 0 0 "[ . 1]" 1
488 1 92 GLN QG 1 93 SER H . . 4.600 4.582 4.155 4.891 0.291 4 0 "[ . 1]" 1
489 1 93 SER H 1 94 THR H . . 2.900 1.874 1.784 1.941 . 0 0 "[ . 1]" 1
490 1 93 SER H 1 94 THR HA . . 5.000 4.162 4.127 4.207 . 0 0 "[ . 1]" 1
491 1 93 SER H 1 109 GLY H . . 4.100 4.157 4.018 4.288 0.188 7 0 "[ . 1]" 1
492 1 93 SER HA 1 94 THR H . . 3.190 3.106 3.083 3.136 . 0 0 "[ . 1]" 1
493 1 93 SER QB 1 94 THR H . . 4.500 3.743 3.599 3.954 . 0 0 "[ . 1]" 1
494 1 94 THR H 1 95 LEU H . . 5.000 4.573 4.441 4.635 . 0 0 "[ . 1]" 1
495 1 94 THR H 1 95 LEU MD1 . . 7.400 6.981 6.777 7.260 . 0 0 "[ . 1]" 1
496 1 94 THR H 1 108 ILE HB . . 5.000 4.955 4.662 5.060 0.060 8 0 "[ . 1]" 1
497 1 94 THR H 1 109 GLY H . . 5.040 4.673 4.435 4.847 . 0 0 "[ . 1]" 1
498 1 94 THR HA 1 95 LEU H . . 2.900 2.200 2.143 2.302 . 0 0 "[ . 1]" 1
499 1 94 THR HA 1 107 SER H . . 5.000 4.616 4.412 4.744 . 0 0 "[ . 1]" 1
500 1 94 THR HB 1 95 LEU H . . 6.000 3.970 2.920 4.479 . 0 0 "[ . 1]" 1
501 1 94 THR HG1 1 95 LEU H . . 3.900 3.786 2.655 4.022 0.122 10 0 "[ . 1]" 1
502 1 95 LEU H 1 106 ARG HA . . 5.600 4.427 4.285 4.540 . 0 0 "[ . 1]" 1
503 1 95 LEU H 1 106 ARG QD . . 6.120 5.060 4.362 6.229 0.109 1 0 "[ . 1]" 1
504 1 95 LEU HA 1 96 ILE H . . 2.900 2.167 2.141 2.196 . 0 0 "[ . 1]" 1
505 1 95 LEU QB 1 96 ILE H . . 3.900 3.573 3.147 3.799 . 0 0 "[ . 1]" 1
506 1 95 LEU MD1 1 96 ILE H . . 7.400 3.451 2.286 4.529 . 0 0 "[ . 1]" 1
507 1 95 LEU MD1 1 106 ARG H . . 5.900 5.850 4.428 6.124 0.224 9 0 "[ . 1]" 1
508 1 95 LEU MD2 1 96 ILE H . . 5.300 3.177 1.840 4.842 . 0 0 "[ . 1]" 1
509 1 95 LEU HG 1 96 ILE H . . 3.900 3.795 2.499 4.307 0.407 8 0 "[ . 1]" 1
510 1 96 ILE H 1 97 LEU H . . 3.940 3.892 3.768 4.001 0.061 5 0 "[ . 1]" 1
511 1 96 ILE H 1 118 ASP QB . . 5.600 5.734 5.679 5.785 0.185 8 0 "[ . 1]" 1
512 1 96 ILE HA 1 97 LEU H . . 3.200 2.151 2.140 2.181 . 0 0 "[ . 1]" 1
513 1 96 ILE HA 1 105 ARG H . . 5.000 4.542 4.293 4.976 . 0 0 "[ . 1]" 1
514 1 96 ILE HA 1 106 ARG H . . 5.100 5.053 4.856 5.286 0.186 9 0 "[ . 1]" 1
515 1 96 ILE HB 1 97 LEU H . . 4.230 4.208 3.623 4.401 0.171 8 0 "[ . 1]" 1
516 1 97 LEU H 1 98 TYR H . . 5.000 4.347 4.218 4.545 . 0 0 "[ . 1]" 1
517 1 97 LEU H 1 98 TYR HA . . 5.000 5.043 4.934 5.111 0.111 3 0 "[ . 1]" 1
518 1 97 LEU H 1 105 ARG H . . 4.200 3.544 3.152 4.021 . 0 0 "[ . 1]" 1
519 1 97 LEU H 1 106 ARG HA . . 4.500 4.358 4.163 4.552 0.052 7 0 "[ . 1]" 1
520 1 97 LEU H 1 107 SER H . . 6.200 6.222 6.054 6.307 0.107 7 0 "[ . 1]" 1
521 1 97 LEU HA 1 98 TYR H . . 2.900 2.162 2.140 2.263 . 0 0 "[ . 1]" 1
522 1 97 LEU QB 1 98 TYR H . . 4.500 3.722 2.938 3.936 . 0 0 "[ . 1]" 1
523 1 97 LEU MD1 1 98 TYR H . . 5.900 2.830 2.165 4.434 . 0 0 "[ . 1]" 1
524 1 97 LEU HG 1 98 TYR H . . 3.900 3.765 3.193 3.952 0.052 7 0 "[ . 1]" 1
525 1 98 TYR H 1 99 ARG H . . 4.340 4.483 4.372 4.601 0.261 5 0 "[ . 1]" 1
526 1 98 TYR H 1 99 ARG HA . . 5.350 5.184 4.910 5.339 . 0 0 "[ . 1]" 1
527 1 98 TYR H 1 99 ARG QB . . 6.000 5.348 5.069 5.526 . 0 0 "[ . 1]" 1
528 1 98 TYR HA 1 99 ARG H . . 2.900 2.167 2.146 2.306 . 0 0 "[ . 1]" 1
529 1 98 TYR QB 1 99 ARG H . . 3.900 3.204 2.832 3.355 . 0 0 "[ . 1]" 1
530 1 99 ARG H 1 100 ASN H . . 4.000 4.062 3.939 4.296 0.296 2 0 "[ . 1]" 1
531 1 99 ARG H 1 101 GLY H . . 4.640 4.125 3.753 4.593 . 0 0 "[ . 1]" 1
532 1 99 ARG H 1 104 VAL H . . 4.000 3.841 3.611 4.045 0.045 10 0 "[ . 1]" 1
533 1 99 ARG H 1 104 VAL HA . . 5.700 5.517 5.057 5.882 0.182 9 0 "[ . 1]" 1
534 1 99 ARG H 1 105 ARG H . . 6.100 6.156 5.918 6.272 0.172 5 0 "[ . 1]" 1
535 1 99 ARG HA 1 100 ASN H . . 2.900 2.186 2.142 2.199 . 0 0 "[ . 1]" 1
536 1 99 ARG QB 1 100 ASN H . . 3.900 3.854 3.255 3.980 0.080 4 0 "[ . 1]" 1
537 1 99 ARG QG 1 100 ASN H . . 3.900 3.528 2.892 3.967 0.067 2 0 "[ . 1]" 1
538 1 100 ASN H 1 101 GLY QA . . 4.450 4.496 4.437 4.555 0.105 7 0 "[ . 1]" 1
539 1 100 ASN HA 1 101 GLY H . . 2.900 2.823 2.613 2.959 0.059 9 0 "[ . 1]" 1
540 1 100 ASN HA 1 102 GLN H . . 5.340 4.608 4.469 4.719 . 0 0 "[ . 1]" 1
541 1 100 ASN QB 1 101 GLY H . . 4.500 3.859 3.769 3.976 . 0 0 "[ . 1]" 1
542 1 100 ASN QB 1 102 GLN H . . 5.170 4.080 3.912 4.176 . 0 0 "[ . 1]" 1
543 1 101 GLY H 1 102 GLN H . . 2.900 2.504 2.302 2.758 . 0 0 "[ . 1]" 1
544 1 101 GLY H 1 102 GLN QB . . 6.000 4.489 4.370 4.713 . 0 0 "[ . 1]" 1
545 1 101 GLY H 1 102 GLN QG . . 7.000 5.697 5.004 6.316 . 0 0 "[ . 1]" 1
546 1 101 GLY QA 1 102 GLN H . . 2.900 2.802 2.765 2.864 . 0 0 "[ . 1]" 1
547 1 102 GLN H 1 103 GLU H . . 4.240 4.256 4.115 4.313 0.073 6 0 "[ . 1]" 1
548 1 102 GLN HA 1 103 GLU H . . 2.900 2.173 2.142 2.215 . 0 0 "[ . 1]" 1
549 1 102 GLN QB 1 103 GLU H . . 3.900 3.346 2.948 3.724 . 0 0 "[ . 1]" 1
550 1 102 GLN QB 1 104 VAL H . . 6.000 4.924 4.674 5.451 . 0 0 "[ . 1]" 1
551 1 102 GLN QG 1 103 GLU H . . 3.900 3.262 2.566 3.773 . 0 0 "[ . 1]" 1
552 1 103 GLU H 1 104 VAL H . . 5.000 4.450 4.388 4.574 . 0 0 "[ . 1]" 1
553 1 103 GLU H 1 104 VAL HA . . 5.220 5.281 5.216 5.378 0.158 9 0 "[ . 1]" 1
554 1 103 GLU H 1 104 VAL MG1 . . 7.400 6.404 5.133 6.738 . 0 0 "[ . 1]" 1
555 1 103 GLU H 1 104 VAL MG2 . . 7.400 5.206 4.812 6.828 . 0 0 "[ . 1]" 1
556 1 103 GLU HA 1 104 VAL H . . 2.900 2.149 2.140 2.176 . 0 0 "[ . 1]" 1
557 1 104 VAL H 1 105 ARG H . . 2.900 2.583 2.078 2.802 . 0 0 "[ . 1]" 1
558 1 104 VAL H 1 105 ARG HA . . 5.000 4.948 4.733 5.058 0.058 7 0 "[ . 1]" 1
559 1 104 VAL HA 1 105 ARG H . . 3.360 3.557 3.513 3.570 0.210 7 0 "[ . 1]" 1
560 1 104 VAL HB 1 105 ARG H . . 3.900 2.467 1.974 4.083 0.183 9 0 "[ . 1]" 1
561 1 104 VAL MG1 1 105 ARG H . . 5.300 2.997 1.854 3.942 . 0 0 "[ . 1]" 1
562 1 104 VAL MG2 1 105 ARG H . . 5.300 3.440 2.138 3.801 . 0 0 "[ . 1]" 1
563 1 105 ARG H 1 106 ARG H . . 5.000 4.405 4.332 4.458 . 0 0 "[ . 1]" 1
564 1 105 ARG HA 1 106 ARG H . . 3.060 2.304 2.211 2.446 . 0 0 "[ . 1]" 1
565 1 105 ARG QB 1 106 ARG H . . 3.900 2.858 2.596 3.156 . 0 0 "[ . 1]" 1
566 1 105 ARG QB 1 117 SER H . . 4.000 4.204 4.086 4.350 0.350 10 0 "[ . 1]" 1
567 1 105 ARG QD 1 106 ARG H . . 4.500 3.611 2.074 4.567 0.067 9 0 "[ . 1]" 1
568 1 105 ARG QG 1 106 ARG H . . 3.900 3.342 2.522 4.057 0.157 10 0 "[ . 1]" 1
569 1 106 ARG H 1 107 SER H . . 4.160 4.261 4.170 4.306 0.146 1 0 "[ . 1]" 1
570 1 106 ARG HA 1 107 SER H . . 2.900 2.230 2.170 2.271 . 0 0 "[ . 1]" 1
571 1 106 ARG QB 1 107 SER H . . 4.500 3.290 2.808 3.688 . 0 0 "[ . 1]" 1
572 1 106 ARG QB 1 108 ILE H . . 6.000 6.020 5.938 6.119 0.119 9 0 "[ . 1]" 1
573 1 106 ARG QD 1 107 SER H . . 4.020 3.528 2.894 4.147 0.127 1 0 "[ . 1]" 1
574 1 106 ARG QG 1 107 SER H . . 3.900 2.798 2.086 3.971 0.071 4 0 "[ . 1]" 1
575 1 107 SER H 1 108 ILE H . . 5.000 4.202 4.076 4.336 . 0 0 "[ . 1]" 1
576 1 107 SER H 1 108 ILE HA . . 5.000 4.634 4.577 4.754 . 0 0 "[ . 1]" 1
577 1 107 SER H 1 108 ILE QG . . 5.800 5.916 5.874 5.986 0.186 8 0 "[ . 1]" 1
578 1 107 SER HA 1 108 ILE H . . 2.900 2.223 2.151 2.339 . 0 0 "[ . 1]" 1
579 1 107 SER QB 1 108 ILE H . . 4.500 3.323 2.764 3.639 . 0 0 "[ . 1]" 1
580 1 108 ILE H 1 109 GLY H . . 5.000 4.429 4.359 4.487 . 0 0 "[ . 1]" 1
581 1 108 ILE H 1 109 GLY QA . . 5.000 4.672 4.480 4.773 . 0 0 "[ . 1]" 1
582 1 108 ILE HA 1 109 GLY H . . 2.900 2.233 2.203 2.294 . 0 0 "[ . 1]" 1
583 1 108 ILE HB 1 109 GLY H . . 4.500 4.092 3.983 4.145 . 0 0 "[ . 1]" 1
584 1 108 ILE MD 1 109 GLY H . . 3.900 2.973 2.500 3.927 0.027 4 0 "[ . 1]" 1
585 1 108 ILE QG 1 109 GLY H . . 6.000 2.232 2.080 2.365 . 0 0 "[ . 1]" 1
586 1 108 ILE QG 1 110 GLU H . . 6.000 4.670 4.250 5.132 . 0 0 "[ . 1]" 1
587 1 108 ILE MG 1 109 GLY H . . 6.000 3.614 3.515 3.717 . 0 0 "[ . 1]" 1
588 1 109 GLY H 1 110 GLU H . . 2.900 2.704 2.282 2.990 0.090 2 0 "[ . 1]" 1
589 1 109 GLY QA 1 110 GLU H . . 3.500 2.546 2.334 2.696 . 0 0 "[ . 1]" 1
590 1 110 GLU QG 1 112 SER H . . 5.900 5.634 4.746 5.871 . 0 0 "[ . 1]" 1
591 1 111 THR H 1 112 SER H . . 4.200 4.398 4.200 4.645 0.445 6 0 "[ . 1]" 1
592 1 111 THR HA 1 112 SER H . . 2.900 2.397 2.141 2.635 . 0 0 "[ . 1]" 1
593 1 111 THR HA 1 115 ALA H . . 5.590 5.348 4.888 5.691 0.101 3 0 "[ . 1]" 1
594 1 112 SER H 1 115 ALA H . . 3.750 3.600 3.197 3.835 0.085 1 0 "[ . 1]" 1
595 1 112 SER H 1 116 LEU H . . 5.000 3.972 3.804 4.212 . 0 0 "[ . 1]" 1
596 1 112 SER H 1 116 LEU QB . . 3.900 4.118 4.014 4.226 0.326 4 0 "[ . 1]" 1
597 1 112 SER HA 1 114 SER H . . 3.980 4.067 4.021 4.100 0.120 7 0 "[ . 1]" 1
598 1 112 SER HA 1 115 ALA H . . 4.400 4.396 4.071 4.611 0.211 5 0 "[ . 1]" 1
599 1 114 SER H 1 115 ALA H . . 2.900 2.308 2.240 2.439 . 0 0 "[ . 1]" 1
600 1 114 SER HA 1 115 ALA H . . 3.240 3.481 3.411 3.568 0.328 8 0 "[ . 1]" 1
601 1 115 ALA H 1 116 LEU H . . 2.900 2.468 2.331 2.664 . 0 0 "[ . 1]" 1
602 1 115 ALA H 1 117 SER H . . 3.500 3.518 3.493 3.556 0.056 7 0 "[ . 1]" 1
603 1 115 ALA H 1 118 ASP H . . 5.300 5.333 5.276 5.391 0.091 3 0 "[ . 1]" 1
604 1 115 ALA HA 1 116 LEU H . . 3.340 3.546 3.523 3.572 0.232 10 0 "[ . 1]" 1
605 1 115 ALA MB 1 116 LEU H . . 3.900 2.536 2.160 2.754 . 0 0 "[ . 1]" 1
606 1 116 LEU H 1 117 SER H . . 2.900 2.501 2.303 2.770 . 0 0 "[ . 1]" 1
607 1 116 LEU H 1 118 ASP H . . 4.020 4.228 4.125 4.347 0.327 8 0 "[ . 1]" 1
608 1 116 LEU H 1 119 PHE H . . 5.000 5.239 5.134 5.390 0.390 1 0 "[ . 1]" 1
609 1 116 LEU HA 1 117 SER H . . 3.280 3.436 3.419 3.458 0.178 4 0 "[ . 1]" 1
610 1 116 LEU QB 1 117 SER H . . 4.500 3.062 3.013 3.102 . 0 0 "[ . 1]" 1
611 1 116 LEU MD1 1 117 SER H . . 5.300 4.434 4.232 4.611 . 0 0 "[ . 1]" 1
612 1 116 LEU MD2 1 117 SER H . . 5.300 4.592 4.370 4.755 . 0 0 "[ . 1]" 1
613 1 116 LEU HG 1 117 SER H . . 3.900 3.758 3.327 4.009 0.109 6 0 "[ . 1]" 1
614 1 116 LEU HG 1 118 ASP H . . 4.630 4.801 4.723 4.874 0.244 6 0 "[ . 1]" 1
615 1 117 SER H 1 118 ASP H . . 2.900 2.693 2.685 2.705 . 0 0 "[ . 1]" 1
616 1 117 SER H 1 118 ASP QB . . 4.500 4.495 4.377 4.674 0.174 1 0 "[ . 1]" 1
617 1 117 SER H 1 119 PHE H . . 4.080 4.185 4.140 4.243 0.163 1 0 "[ . 1]" 1
618 1 117 SER H 1 119 PHE QB . . 5.750 5.107 4.976 5.218 . 0 0 "[ . 1]" 1
619 1 117 SER H 1 120 LEU QB . . 6.220 5.648 4.837 6.237 0.017 8 0 "[ . 1]" 1
620 1 117 SER HA 1 118 ASP H . . 3.260 3.416 3.405 3.427 0.167 4 0 "[ . 1]" 1
621 1 117 SER QB 1 118 ASP H . . 3.900 3.133 3.088 3.222 . 0 0 "[ . 1]" 1
622 1 118 ASP H 1 119 PHE H . . 2.900 2.323 2.277 2.428 . 0 0 "[ . 1]" 1
623 1 118 ASP H 1 119 PHE QB . . 4.000 4.026 3.981 4.094 0.094 1 0 "[ . 1]" 1
624 1 118 ASP H 1 120 LEU H . . 4.010 3.925 3.776 4.199 0.189 6 0 "[ . 1]" 1
625 1 118 ASP H 1 120 LEU QB . . 6.000 5.394 4.872 5.806 . 0 0 "[ . 1]" 1
626 1 118 ASP HA 1 119 PHE H . . 3.300 3.451 3.436 3.470 0.170 8 0 "[ . 1]" 1
627 1 118 ASP QB 1 119 PHE H . . 3.900 3.272 2.921 3.640 . 0 0 "[ . 1]" 1
628 1 118 ASP QB 1 122 ARG H . . 5.200 5.172 5.033 5.233 0.033 5 0 "[ . 1]" 1
629 1 119 PHE H 1 120 LEU H . . 2.900 2.425 2.272 2.678 . 0 0 "[ . 1]" 1
630 1 119 PHE H 1 120 LEU QB . . 6.000 4.377 4.034 4.645 . 0 0 "[ . 1]" 1
631 1 119 PHE H 1 120 LEU MD1 . . 7.400 5.863 5.362 6.170 . 0 0 "[ . 1]" 1
632 1 119 PHE H 1 120 LEU MD2 . . 7.400 4.882 4.197 5.852 . 0 0 "[ . 1]" 1
633 1 119 PHE H 1 121 THR H . . 4.130 3.820 3.618 4.111 . 0 0 "[ . 1]" 1
634 1 119 PHE H 1 122 ARG H . . 5.000 4.694 4.419 5.014 0.014 8 0 "[ . 1]" 1
635 1 119 PHE HA 1 120 LEU H . . 3.290 3.458 3.437 3.477 0.187 6 0 "[ . 1]" 1
636 1 119 PHE HA 1 121 THR H . . 5.750 3.884 3.496 4.179 . 0 0 "[ . 1]" 1
637 1 119 PHE QB 1 120 LEU H . . 3.900 3.053 2.938 3.362 . 0 0 "[ . 1]" 1
638 1 119 PHE QB 1 121 THR H . . 4.500 4.599 4.539 4.721 0.221 6 0 "[ . 1]" 1
639 1 119 PHE QB 1 122 ARG H . . 6.000 4.904 4.563 5.132 . 0 0 "[ . 1]" 1
640 1 120 LEU H 1 121 THR H . . 2.900 2.316 2.178 2.570 . 0 0 "[ . 1]" 1
641 1 120 LEU H 1 121 THR HG1 . . 3.500 3.345 3.048 3.536 0.036 6 0 "[ . 1]" 1
642 1 120 LEU H 1 122 ARG H . . 3.830 3.749 3.588 3.895 0.065 1 0 "[ . 1]" 1
643 1 120 LEU QB 1 121 THR H . . 4.500 3.559 3.059 3.826 . 0 0 "[ . 1]" 1
644 1 120 LEU QB 1 122 ARG H . . 6.000 4.934 4.683 5.084 . 0 0 "[ . 1]" 1
645 1 120 LEU MD1 1 121 THR H . . 5.900 3.793 3.287 4.472 . 0 0 "[ . 1]" 1
646 1 120 LEU MD2 1 121 THR H . . 5.900 4.425 4.166 4.733 . 0 0 "[ . 1]" 1
647 1 120 LEU HG 1 121 THR H . . 3.900 3.129 2.639 3.925 0.025 2 0 "[ . 1]" 1
648 1 121 THR H 1 122 ARG H . . 2.900 2.032 1.894 2.202 . 0 0 "[ . 1]" 1
649 1 121 THR H 1 122 ARG QB . . 4.500 4.296 3.800 4.610 0.110 2 0 "[ . 1]" 1
650 1 121 THR HA 1 122 ARG H . . 3.100 3.223 3.088 3.325 0.225 5 0 "[ . 1]" 1
651 1 121 THR HB 1 122 ARG H . . 3.900 3.755 3.580 3.982 0.082 5 0 "[ . 1]" 1
652 1 121 THR HG1 1 122 ARG H . . 3.900 3.892 3.588 4.099 0.199 9 0 "[ . 1]" 1
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