NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
458948 |
2kud   |
16732 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kud
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 1326
_Distance_constraint_stats_list.Viol_count 2078
_Distance_constraint_stats_list.Viol_total 2890.190
_Distance_constraint_stats_list.Viol_max 1.265
_Distance_constraint_stats_list.Viol_rms 0.0294
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0464
_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 4 GLY 29.073 1.265 10 28 "[ ********+***************-***3]"
1 5 ILE 29.342 1.265 10 28 "[ ********+***************-***3]"
1 6 THR 1.555 0.187 11 0 "[ . 1 . 2 . 3]"
1 7 ARG 0.972 0.101 25 0 "[ . 1 . 2 . 3]"
1 8 ASP 0.279 0.101 25 0 "[ . 1 . 2 . 3]"
1 9 VAL 0.218 0.037 23 0 "[ . 1 . 2 . 3]"
1 10 GLN 2.184 0.194 22 0 "[ . 1 . 2 . 3]"
1 11 VAL 3.094 0.101 30 0 "[ . 1 . 2 . 3]"
1 12 PRO 0.528 0.072 25 0 "[ . 1 . 2 . 3]"
1 13 ASP 0.573 0.072 25 0 "[ . 1 . 2 . 3]"
1 14 VAL 0.131 0.046 2 0 "[ . 1 . 2 . 3]"
1 15 ARG 0.597 0.079 24 0 "[ . 1 . 2 . 3]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 GLN 1.097 0.079 24 0 "[ . 1 . 2 . 3]"
1 18 SER 0.122 0.038 19 0 "[ . 1 . 2 . 3]"
1 19 SER 0.455 0.079 12 0 "[ . 1 . 2 . 3]"
1 20 ALA 0.055 0.031 26 0 "[ . 1 . 2 . 3]"
1 21 ASP 0.450 0.049 17 0 "[ . 1 . 2 . 3]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 ILE 0.345 0.043 3 0 "[ . 1 . 2 . 3]"
1 24 ALA 0.983 0.096 22 0 "[ . 1 . 2 . 3]"
1 25 THR 0.186 0.043 3 0 "[ . 1 . 2 . 3]"
1 26 LEU 0.912 0.074 13 0 "[ . 1 . 2 . 3]"
1 27 GLN 4.016 0.113 6 0 "[ . 1 . 2 . 3]"
1 28 ASN 1.620 0.159 4 0 "[ . 1 . 2 . 3]"
1 29 ARG 1.345 0.141 21 0 "[ . 1 . 2 . 3]"
1 30 GLY 2.289 0.113 6 0 "[ . 1 . 2 . 3]"
1 31 PHE 2.983 0.141 21 0 "[ . 1 . 2 . 3]"
1 32 LYS 0.254 0.038 24 0 "[ . 1 . 2 . 3]"
1 33 ILE 0.455 0.046 10 0 "[ . 1 . 2 . 3]"
1 34 ARG 2.323 0.194 25 0 "[ . 1 . 2 . 3]"
1 35 THR 2.864 0.115 7 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.801 0.048 4 0 "[ . 1 . 2 . 3]"
1 37 GLN 1.826 0.136 26 0 "[ . 1 . 2 . 3]"
1 38 LYS 0.106 0.049 6 0 "[ . 1 . 2 . 3]"
1 39 PRO 0.261 0.044 23 0 "[ . 1 . 2 . 3]"
1 40 ASP 1.946 0.114 28 0 "[ . 1 . 2 . 3]"
1 41 SER 0.610 0.088 28 0 "[ . 1 . 2 . 3]"
1 42 THR 0.864 0.063 18 0 "[ . 1 . 2 . 3]"
1 43 ILE 1.189 0.088 28 0 "[ . 1 . 2 . 3]"
1 44 PRO 0.044 0.015 25 0 "[ . 1 . 2 . 3]"
1 45 PRO 0.122 0.039 15 0 "[ . 1 . 2 . 3]"
1 46 ASP 0.669 0.079 12 0 "[ . 1 . 2 . 3]"
1 47 HIS 1.744 0.089 5 0 "[ . 1 . 2 . 3]"
1 48 VAL 0.809 0.070 28 0 "[ . 1 . 2 . 3]"
1 49 ILE 0.064 0.032 29 0 "[ . 1 . 2 . 3]"
1 50 GLY 0.064 0.032 29 0 "[ . 1 . 2 . 3]"
1 51 THR 2.740 0.208 6 0 "[ . 1 . 2 . 3]"
1 52 ASP 3.300 0.208 6 0 "[ . 1 . 2 . 3]"
1 53 PRO 1.248 0.066 27 0 "[ . 1 . 2 . 3]"
1 54 ALA 2.085 0.135 28 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.168 0.089 27 0 "[ . 1 . 2 . 3]"
1 56 ASN 1.141 0.092 27 0 "[ . 1 . 2 . 3]"
1 57 THR 1.222 0.082 14 0 "[ . 1 . 2 . 3]"
1 58 SER 0.098 0.016 23 0 "[ . 1 . 2 . 3]"
1 59 VAL 0.763 0.078 27 0 "[ . 1 . 2 . 3]"
1 60 SER 0.287 0.078 27 0 "[ . 1 . 2 . 3]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 GLY 0.041 0.033 17 0 "[ . 1 . 2 . 3]"
1 63 ASP 1.495 0.101 30 0 "[ . 1 . 2 . 3]"
1 64 GLU 0.234 0.042 6 0 "[ . 1 . 2 . 3]"
1 65 ILE 0.590 0.079 15 0 "[ . 1 . 2 . 3]"
1 66 THR 1.342 0.076 7 0 "[ . 1 . 2 . 3]"
1 67 VAL 1.018 0.095 21 0 "[ . 1 . 2 . 3]"
1 68 ASN 0.280 0.079 30 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.379 0.065 5 0 "[ . 1 . 2 . 3]"
1 70 SER 1.263 0.189 29 0 "[ . 1 . 2 . 3]"
1 71 THR 0.653 0.069 3 0 "[ . 1 . 2 . 3]"
1 72 GLY 0.316 0.189 29 0 "[ . 1 . 2 . 3]"
1 73 PRO 0.321 0.072 28 0 "[ . 1 . 2 . 3]"
1 74 GLU 2.437 0.122 14 0 "[ . 1 . 2 . 3]"
1 75 GLN 1.619 0.091 3 0 "[ . 1 . 2 . 3]"
1 76 ARG 1.281 0.116 2 0 "[ . 1 . 2 . 3]"
1 77 GLU 0.586 0.116 2 0 "[ . 1 . 2 . 3]"
1 78 ILE 2.107 0.097 25 0 "[ . 1 . 2 . 3]"
1 79 PRO 0.218 0.041 27 0 "[ . 1 . 2 . 3]"
1 80 ASP 0.208 0.041 27 0 "[ . 1 . 2 . 3]"
1 81 VAL 0.531 0.065 15 0 "[ . 1 . 2 . 3]"
1 82 SER 1.051 0.127 27 0 "[ . 1 . 2 . 3]"
1 83 THR 1.273 0.124 18 0 "[ . 1 . 2 . 3]"
1 84 LEU 0.810 0.124 18 0 "[ . 1 . 2 . 3]"
1 85 THR 0.031 0.019 9 0 "[ . 1 . 2 . 3]"
1 86 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 87 ALA 0.003 0.003 15 0 "[ . 1 . 2 . 3]"
1 88 GLU 0.218 0.067 14 0 "[ . 1 . 2 . 3]"
1 89 ALA 0.026 0.014 14 0 "[ . 1 . 2 . 3]"
1 90 VAL 0.417 0.069 2 0 "[ . 1 . 2 . 3]"
1 91 LYS 0.446 0.069 2 0 "[ . 1 . 2 . 3]"
1 92 LYS 0.295 0.064 1 0 "[ . 1 . 2 . 3]"
1 93 LEU 0.911 0.067 21 0 "[ . 1 . 2 . 3]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 98 PHE 0.882 0.067 21 0 "[ . 1 . 2 . 3]"
1 99 GLY 0.002 0.002 28 0 "[ . 1 . 2 . 3]"
1 100 ARG 0.038 0.035 26 0 "[ . 1 . 2 . 3]"
1 101 PHE 0.375 0.056 10 0 "[ . 1 . 2 . 3]"
1 102 LYS 0.893 0.056 10 0 "[ . 1 . 2 . 3]"
1 103 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 104 ALA 0.491 0.126 11 0 "[ . 1 . 2 . 3]"
1 105 ASN 1.015 0.126 11 0 "[ . 1 . 2 . 3]"
1 106 SER 0.431 0.063 24 0 "[ . 1 . 2 . 3]"
1 107 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 108 SER 0.718 0.074 25 0 "[ . 1 . 2 . 3]"
1 109 THR 0.499 0.066 22 0 "[ . 1 . 2 . 3]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 111 GLU 1.347 0.093 25 0 "[ . 1 . 2 . 3]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 113 VAL 1.496 0.204 25 0 "[ . 1 . 2 . 3]"
1 114 GLY 0.030 0.030 11 0 "[ . 1 . 2 . 3]"
1 115 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 116 VAL 4.000 0.127 27 0 "[ . 1 . 2 . 3]"
1 117 ILE 0.339 0.035 19 0 "[ . 1 . 2 . 3]"
1 118 GLY 0.170 0.035 19 0 "[ . 1 . 2 . 3]"
1 119 THR 0.193 0.036 30 0 "[ . 1 . 2 . 3]"
1 120 ASN 0.425 0.129 26 0 "[ . 1 . 2 . 3]"
1 122 PRO 0.517 0.069 25 0 "[ . 1 . 2 . 3]"
1 123 ALA 0.341 0.137 10 0 "[ . 1 . 2 . 3]"
1 124 ASN 4.048 0.285 12 0 "[ . 1 . 2 . 3]"
1 125 GLN 6.522 0.249 10 0 "[ . 1 . 2 . 3]"
1 126 THR 5.436 0.166 22 0 "[ . 1 . 2 . 3]"
1 127 SER 0.116 0.029 20 0 "[ . 1 . 2 . 3]"
1 128 ALA 1.968 0.178 6 0 "[ . 1 . 2 . 3]"
1 129 ILE 0.247 0.053 3 0 "[ . 1 . 2 . 3]"
1 130 THR 1.055 0.087 6 0 "[ . 1 . 2 . 3]"
1 131 ASN 3.953 0.178 6 0 "[ . 1 . 2 . 3]"
1 132 VAL 0.357 0.045 27 0 "[ . 1 . 2 . 3]"
1 133 VAL 0.062 0.047 1 0 "[ . 1 . 2 . 3]"
1 134 ILE 0.363 0.129 26 0 "[ . 1 . 2 . 3]"
1 135 ILE 0.359 0.048 26 0 "[ . 1 . 2 . 3]"
1 136 ILE 0.400 0.063 24 0 "[ . 1 . 2 . 3]"
1 137 VAL 1.459 0.102 23 0 "[ . 1 . 2 . 3]"
1 138 GLY 0.772 0.081 23 0 "[ . 1 . 2 . 3]"
1 139 SER 0.751 0.136 7 0 "[ . 1 . 2 . 3]"
1 140 GLY 0.871 0.074 25 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 4 GLY QA 1 5 ILE QG 5.100 . 5.100 3.663 3.373 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 4 GLY QA 1 5 ILE H 3.250 . 3.250 2.242 2.145 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 4 GLY H 1 5 ILE H 3.360 . 3.360 4.326 3.252 4.625 1.265 10 28 "[ ********+***************-***3]" 1
4 1 5 ILE HA 1 5 ILE MD 4.570 . 4.570 3.725 3.682 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 ILE HA 1 5 ILE QG 3.510 . 3.510 3.475 3.322 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 5 ILE HA 1 6 THR H 2.450 . 2.450 2.200 1.979 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 5 ILE HB 1 6 THR H 3.690 . 3.690 2.785 2.425 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 5 ILE MD 1 6 THR HB 5.810 . 5.810 5.340 4.657 5.925 0.115 13 0 "[ . 1 . 2 . 3]" 1
9 1 5 ILE MD 1 6 THR H 4.320 . 4.320 3.799 3.413 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 5 ILE MD 1 7 ARG H 5.580 . 5.580 4.632 3.792 5.601 0.021 26 0 "[ . 1 . 2 . 3]" 1
11 1 5 ILE MG 1 6 THR H 5.570 . 5.570 3.526 3.302 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 5 ILE H 1 5 ILE MD 4.540 . 4.540 3.008 2.664 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 5 ILE H 1 5 ILE QG 2.950 . 2.950 2.121 1.927 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 5 ILE H 1 5 ILE MG 3.980 . 3.980 2.976 2.559 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 5 ILE H 1 6 THR H 4.510 . 4.510 4.454 4.227 4.540 0.030 27 0 "[ . 1 . 2 . 3]" 1
16 1 6 THR HA 1 7 ARG H 2.700 . 2.700 2.360 2.082 2.727 0.027 14 0 "[ . 1 . 2 . 3]" 1
17 1 6 THR HB 1 7 ARG H 3.860 . 3.860 3.695 2.398 3.942 0.082 4 0 "[ . 1 . 2 . 3]" 1
18 1 6 THR MG 1 7 ARG H 4.140 . 4.140 2.761 1.789 3.970 0.011 14 0 "[ . 1 . 2 . 3]" 1
19 1 6 THR MG 1 8 ASP H 5.290 . 5.290 3.579 1.931 5.301 0.011 5 0 "[ . 1 . 2 . 3]" 1
20 1 6 THR H 1 6 THR HB 3.130 . 3.130 2.851 2.437 3.317 0.187 11 0 "[ . 1 . 2 . 3]" 1
21 1 6 THR H 1 7 ARG H 4.570 . 4.570 4.366 3.991 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 7 ARG HA 1 7 ARG QG 3.850 . 3.850 2.611 2.275 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 7 ARG HA 1 8 ASP HA 4.910 . 4.910 4.371 4.230 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 7 ARG HA 1 8 ASP H 2.600 . 2.600 2.241 1.977 2.701 0.101 25 0 "[ . 1 . 2 . 3]" 1
25 1 7 ARG QB 1 8 ASP H 4.890 . 4.890 3.744 3.097 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 7 ARG H 1 7 ARG QB 3.760 . 3.760 2.489 2.367 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 7 ARG H 1 7 ARG QG 4.030 . 4.030 2.750 2.396 4.061 0.031 6 0 "[ . 1 . 2 . 3]" 1
28 1 7 ARG H 1 8 ASP H 4.070 . 4.070 3.682 2.588 4.137 0.067 2 0 "[ . 1 . 2 . 3]" 1
29 1 8 ASP HA 1 9 VAL HA 5.300 . 5.300 4.346 4.234 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 8 ASP HA 1 9 VAL QG 5.190 . 5.190 3.170 2.986 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 8 ASP HA 1 9 VAL H 2.770 . 2.770 2.205 2.100 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 8 ASP QB 1 9 VAL H 4.060 . 4.060 2.928 2.634 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 8 ASP QB 1 59 VAL HA 5.310 . 5.310 3.243 2.606 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 8 ASP QB 1 59 VAL H 4.640 . 4.640 3.427 2.979 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 8 ASP H 1 8 ASP QB 3.800 . 3.800 2.595 2.417 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 9 VAL HA 1 10 GLN H 2.710 . 2.710 2.279 2.149 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 9 VAL HB 1 10 GLN HA 5.350 . 5.350 4.538 4.382 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 9 VAL HB 1 10 GLN H 3.310 . 3.310 2.623 2.259 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 9 VAL HB 1 59 VAL H 5.400 . 5.400 5.322 5.219 5.437 0.037 23 0 "[ . 1 . 2 . 3]" 1
40 1 9 VAL QG 1 61 ALA H 4.600 . 4.600 3.498 2.925 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 9 VAL QG 1 62 GLY H 5.670 . 5.670 4.563 3.661 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 9 VAL MG1 1 10 GLN H 4.980 . 4.980 3.690 3.475 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 9 VAL MG2 1 10 GLN H 4.980 . 4.980 3.635 3.470 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 9 VAL H 1 9 VAL HB 3.820 . 3.820 3.812 3.771 3.845 0.025 18 0 "[ . 1 . 2 . 3]" 1
45 1 9 VAL H 1 9 VAL QG 3.750 . 3.750 2.152 2.067 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 9 VAL H 1 9 VAL MG1 4.370 . 4.370 2.998 2.852 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 9 VAL H 1 9 VAL MG2 4.370 . 4.370 2.205 2.119 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 9 VAL H 1 10 GLN H 4.670 . 4.670 4.379 4.243 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 9 VAL H 1 61 ALA H 5.020 . 5.020 4.345 3.723 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 10 GLN HA 1 11 VAL HB 5.500 . 5.500 4.416 4.082 5.533 0.033 23 0 "[ . 1 . 2 . 3]" 1
51 1 10 GLN HA 1 11 VAL QG 6.420 . 6.420 3.689 3.070 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 10 GLN HA 1 11 VAL H 3.250 . 3.250 2.220 2.135 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 10 GLN QB 1 10 GLN QE 3.320 . 3.320 1.826 1.767 2.543 0.033 9 0 "[ . 1 . 2 . 3]" 1
54 1 10 GLN QB 1 10 GLN HE22 4.710 . 4.710 3.220 3.184 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 10 GLN QB 1 11 VAL H 4.610 . 4.610 2.930 2.837 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 10 GLN QB 1 58 SER HA 5.000 . 5.000 2.828 2.281 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 10 GLN QB 1 59 VAL H 5.980 . 5.980 4.332 3.835 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 10 GLN HB3 1 10 GLN HE21 4.500 . 4.500 2.722 1.910 3.313 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 10 GLN HB3 1 10 GLN HE22 4.500 . 4.500 3.924 3.538 4.694 0.194 22 0 "[ . 1 . 2 . 3]" 1
60 1 10 GLN HB3 1 11 VAL H 4.380 . 4.380 4.073 3.882 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 10 GLN HB2 1 10 GLN HE21 4.500 . 4.500 1.892 1.784 2.761 0.016 9 0 "[ . 1 . 2 . 3]" 1
62 1 10 GLN HB2 1 10 GLN HE22 4.500 . 4.500 3.457 3.247 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 10 GLN HB2 1 11 VAL H 4.380 . 4.380 3.004 2.912 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 10 GLN QE 1 56 ASN HA 3.290 . 3.290 2.550 1.788 3.099 0.012 8 0 "[ . 1 . 2 . 3]" 1
65 1 10 GLN QE 1 56 ASN QB 3.210 . 3.210 3.038 2.482 3.302 0.092 27 0 "[ . 1 . 2 . 3]" 1
66 1 10 GLN QE 1 56 ASN H 5.200 . 5.200 5.060 4.322 5.249 0.049 20 0 "[ . 1 . 2 . 3]" 1
67 1 10 GLN HE21 1 56 ASN HA 4.070 . 4.070 2.600 1.796 3.228 0.004 8 0 "[ . 1 . 2 . 3]" 1
68 1 10 GLN HE22 1 56 ASN HA 4.070 . 4.070 3.891 2.783 4.140 0.070 28 0 "[ . 1 . 2 . 3]" 1
69 1 10 GLN QG 1 11 VAL H 5.670 . 5.670 4.051 3.769 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 10 GLN HG3 1 11 VAL H 5.480 . 5.480 4.268 3.930 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 10 GLN HG2 1 11 VAL H 5.480 . 5.480 5.060 4.843 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 10 GLN H 1 10 GLN HB3 3.680 . 3.680 2.926 2.798 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 10 GLN H 1 10 GLN HB2 3.680 . 3.680 3.677 3.627 3.708 0.028 16 0 "[ . 1 . 2 . 3]" 1
74 1 10 GLN H 1 10 GLN QE 5.120 . 5.120 4.670 4.340 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 10 GLN H 1 10 GLN QG 4.410 . 4.410 2.094 1.953 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 10 GLN H 1 59 VAL H 5.210 . 5.210 4.549 4.259 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 11 VAL HA 1 12 PRO QB 4.840 . 4.840 4.643 4.527 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 11 VAL HA 1 12 PRO QD 4.040 . 4.040 1.962 1.865 2.072 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 11 VAL HA 1 12 PRO QG 5.070 . 5.070 3.853 3.742 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 11 VAL HB 1 12 PRO QD 4.980 . 4.980 3.573 2.160 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 11 VAL HB 1 31 PHE QE 5.980 . 5.980 3.293 2.915 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 11 VAL HB 1 31 PHE HZ 3.820 . 3.820 3.109 2.689 3.872 0.052 23 0 "[ . 1 . 2 . 3]" 1
83 1 11 VAL QG 1 12 PRO QD 6.810 . 6.810 2.192 1.914 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 11 VAL QG 1 31 PHE QE 7.520 . 7.520 2.852 2.341 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 11 VAL QG 1 31 PHE HZ 5.400 . 5.400 3.302 2.291 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 11 VAL QG 1 55 ALA HA 5.520 . 5.520 2.236 1.916 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 11 VAL QG 1 55 ALA MB 5.950 . 5.950 2.144 1.859 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 11 VAL QG 1 55 ALA H 6.540 . 6.540 4.435 4.212 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 11 VAL QG 1 56 ASN H 6.600 . 6.600 4.471 4.254 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 11 VAL QG 1 57 THR H 6.500 . 6.500 4.696 4.497 4.882 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 11 VAL QG 1 63 ASP H 6.340 . 6.340 5.066 4.216 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 11 VAL QG 1 65 ILE MD 7.550 . 7.550 2.295 1.926 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 11 VAL MG1 1 31 PHE HZ 5.730 . 5.730 4.025 2.298 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 11 VAL MG1 1 63 ASP H 5.940 . 5.940 5.510 4.311 5.967 0.027 4 0 "[ . 1 . 2 . 3]" 1
95 1 11 VAL MG2 1 31 PHE HZ 5.730 . 5.730 3.750 3.040 4.864 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 11 VAL MG2 1 63 ASP H 5.940 . 5.940 5.984 5.951 6.041 0.101 30 0 "[ . 1 . 2 . 3]" 1
97 1 11 VAL H 1 11 VAL HB 3.770 . 3.770 2.951 2.760 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 11 VAL H 1 55 ALA HA 4.260 . 4.260 3.685 3.321 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 11 VAL H 1 56 ASN HA 4.230 . 4.230 3.680 3.261 4.237 0.007 16 0 "[ . 1 . 2 . 3]" 1
100 1 11 VAL H 1 56 ASN H 5.470 . 5.470 5.039 4.899 5.260 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 11 VAL H 1 57 THR H 4.620 . 4.620 4.648 4.489 4.702 0.082 14 0 "[ . 1 . 2 . 3]" 1
102 1 11 VAL H 1 59 VAL H 4.720 . 4.720 4.676 4.349 4.766 0.046 21 0 "[ . 1 . 2 . 3]" 1
103 1 12 PRO HA 1 13 ASP H 2.960 . 2.960 2.128 2.021 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 12 PRO HB3 1 13 ASP H 3.820 . 3.820 3.515 3.082 3.848 0.028 23 0 "[ . 1 . 2 . 3]" 1
105 1 12 PRO HB2 1 13 ASP H 3.820 . 3.820 3.415 2.656 3.869 0.049 14 0 "[ . 1 . 2 . 3]" 1
106 1 12 PRO QD 1 31 PHE QE 8.140 . 8.140 4.820 3.803 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 12 PRO QG 1 13 ASP H 5.510 . 5.510 4.561 4.162 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 12 PRO HG3 1 13 ASP H 5.500 . 5.500 5.229 4.743 5.544 0.044 6 0 "[ . 1 . 2 . 3]" 1
109 1 12 PRO HG2 1 13 ASP H 5.500 . 5.500 5.109 4.420 5.572 0.072 25 0 "[ . 1 . 2 . 3]" 1
110 1 13 ASP HA 1 14 VAL H 3.520 . 3.520 2.251 1.993 3.462 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 13 ASP HA 1 15 ARG H 4.490 . 4.490 3.911 3.194 4.494 0.004 25 0 "[ . 1 . 2 . 3]" 1
112 1 13 ASP HA 1 55 ALA MB 4.760 . 4.760 3.630 2.415 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 13 ASP QB 1 14 VAL QG 7.330 . 7.330 4.101 3.568 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 13 ASP QB 1 14 VAL H 4.900 . 4.900 2.976 2.072 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 13 ASP QB 1 15 ARG QB 5.760 . 5.760 3.439 2.214 5.655 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 13 ASP QB 1 15 ARG H 5.310 . 5.310 2.868 2.216 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 13 ASP QB 1 55 ALA MB 6.230 . 6.230 4.170 2.277 5.769 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 13 ASP HB3 1 14 VAL H 4.700 . 4.700 3.548 2.731 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 13 ASP HB2 1 14 VAL H 4.700 . 4.700 3.554 2.086 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 13 ASP H 1 13 ASP HB3 3.800 . 3.800 3.075 2.338 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 13 ASP H 1 13 ASP HB2 3.800 . 3.800 2.912 2.365 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 13 ASP H 1 14 VAL H 4.580 . 4.580 4.419 2.411 4.593 0.013 2 0 "[ . 1 . 2 . 3]" 1
123 1 13 ASP H 1 55 ALA MB 5.850 . 5.850 4.853 3.916 5.873 0.023 21 0 "[ . 1 . 2 . 3]" 1
124 1 14 VAL HA 1 17 GLN QE 3.770 . 3.770 2.786 1.754 3.792 0.046 2 0 "[ . 1 . 2 . 3]" 1
125 1 14 VAL HA 1 17 GLN HE21 4.500 . 4.500 3.054 1.813 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 14 VAL HA 1 17 GLN HE22 4.500 . 4.500 3.342 2.330 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 14 VAL QG 1 15 ARG H 6.340 . 6.340 3.470 2.917 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 14 VAL QG 1 17 GLN QE 6.370 . 6.370 2.637 1.765 3.635 0.035 28 0 "[ . 1 . 2 . 3]" 1
129 1 14 VAL QG 1 25 THR HB 6.390 . 6.390 2.711 2.012 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 14 VAL QG 1 25 THR MG 6.480 . 6.480 2.708 1.869 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 14 VAL QG 1 25 THR H 6.700 . 6.700 4.252 3.414 5.111 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 14 VAL MG1 1 25 THR MG 6.710 . 6.710 3.342 1.886 5.574 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 14 VAL MG2 1 25 THR MG 6.710 . 6.710 3.707 2.247 5.984 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 14 VAL H 1 15 ARG QB 5.170 . 5.170 4.366 3.723 5.180 0.010 13 0 "[ . 1 . 2 . 3]" 1
135 1 14 VAL H 1 15 ARG H 3.450 . 3.450 2.631 2.096 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 14 VAL H 1 22 ALA MB 5.940 . 5.940 4.763 4.027 5.553 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 14 VAL H 1 48 VAL QG 6.770 . 6.770 3.978 3.023 5.161 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 15 ARG HA 1 48 VAL QG 5.400 . 5.400 2.324 1.900 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 15 ARG HA 1 48 VAL MG1 5.060 . 5.060 2.465 1.952 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 15 ARG HA 1 48 VAL MG2 5.060 . 5.060 3.598 2.438 5.065 0.005 15 0 "[ . 1 . 2 . 3]" 1
141 1 15 ARG H 1 15 ARG HB3 3.620 . 3.620 2.628 2.445 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 15 ARG H 1 15 ARG HB2 3.620 . 3.620 3.611 3.533 3.663 0.043 22 0 "[ . 1 . 2 . 3]" 1
143 1 15 ARG H 1 15 ARG QD 4.980 . 4.980 3.617 1.976 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 15 ARG H 1 15 ARG HD3 4.790 . 4.790 4.161 2.071 4.811 0.021 30 0 "[ . 1 . 2 . 3]" 1
145 1 15 ARG H 1 15 ARG HD2 4.790 . 4.790 4.178 2.500 4.797 0.007 16 0 "[ . 1 . 2 . 3]" 1
146 1 15 ARG H 1 15 ARG QG 4.470 . 4.470 2.130 1.802 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 15 ARG H 1 16 GLY H 4.810 . 4.810 4.592 4.467 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 15 ARG H 1 17 GLN QE 4.980 . 4.980 4.484 3.542 5.059 0.079 24 0 "[ . 1 . 2 . 3]" 1
149 1 15 ARG H 1 48 VAL QG 6.000 . 6.000 3.822 3.333 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 16 GLY QA 1 17 GLN QG 6.810 . 6.810 3.681 3.283 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 16 GLY H 1 17 GLN H 3.880 . 3.880 2.311 2.135 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 16 GLY H 1 48 VAL QG 6.550 . 6.550 3.219 2.595 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 17 GLN HA 1 17 GLN QE 4.700 . 4.700 4.569 3.992 4.748 0.048 23 0 "[ . 1 . 2 . 3]" 1
154 1 17 GLN HA 1 18 SER QB 4.620 . 4.620 4.433 4.269 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 17 GLN HA 1 18 SER H 3.510 . 3.510 2.617 2.407 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 17 GLN QB 1 18 SER H 5.120 . 5.120 2.179 1.864 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 17 GLN HB3 1 18 SER H 4.920 . 4.920 2.588 1.881 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 17 GLN HB2 1 18 SER H 4.920 . 4.920 3.040 1.992 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 17 GLN QG 1 18 SER H 5.210 . 5.210 3.680 2.825 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 17 GLN HG3 1 18 SER H 4.940 . 4.940 4.393 2.891 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 17 GLN HG2 1 18 SER H 4.940 . 4.940 4.095 3.710 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 17 GLN H 1 17 GLN QE 5.270 . 5.270 3.834 2.359 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 17 GLN H 1 17 GLN QG 3.870 . 3.870 2.694 2.101 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 17 GLN H 1 18 SER H 4.470 . 4.470 4.403 4.276 4.484 0.014 28 0 "[ . 1 . 2 . 3]" 1
165 1 17 GLN H 1 47 HIS HA 5.500 . 5.500 5.327 4.707 5.547 0.047 4 0 "[ . 1 . 2 . 3]" 1
166 1 17 GLN H 1 48 VAL H 4.150 . 4.150 3.916 3.447 4.187 0.037 12 0 "[ . 1 . 2 . 3]" 1
167 1 18 SER HA 1 19 SER H 3.370 . 3.370 2.398 2.259 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 18 SER HA 1 47 HIS HA 3.930 . 3.930 2.115 1.857 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 18 SER HA 1 47 HIS HD2 3.910 . 3.910 2.362 1.970 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 18 SER HA 1 47 HIS H 5.440 . 5.440 4.800 4.230 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 18 SER HA 1 48 VAL H 3.920 . 3.920 3.096 2.498 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 18 SER QB 1 19 SER H 3.610 . 3.610 2.585 2.255 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 18 SER QB 1 47 HIS HD2 4.530 . 4.530 2.578 2.089 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 18 SER H 1 18 SER QB 3.600 . 3.600 2.563 2.348 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 18 SER H 1 18 SER HB3 4.130 . 4.130 2.627 2.384 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 18 SER H 1 18 SER HB2 4.130 . 4.130 3.579 3.475 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 18 SER H 1 19 SER H 5.060 . 5.060 4.611 4.532 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 18 SER H 1 21 ASP QB 5.160 . 5.160 2.721 2.198 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 18 SER H 1 21 ASP H 4.480 . 4.480 3.827 3.412 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 18 SER H 1 22 ALA MB 6.370 . 6.370 5.100 4.570 5.612 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 18 SER H 1 22 ALA H 5.180 . 5.180 4.505 4.079 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 18 SER H 1 47 HIS HD2 5.110 . 5.110 4.441 3.427 5.148 0.038 19 0 "[ . 1 . 2 . 3]" 1
183 1 19 SER HA 1 22 ALA MB 4.780 . 4.780 2.508 2.214 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 19 SER HA 1 48 VAL H 4.240 . 4.240 3.995 3.174 4.282 0.042 18 0 "[ . 1 . 2 . 3]" 1
185 1 19 SER H 1 19 SER HB3 3.750 . 3.750 2.743 2.410 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 19 SER H 1 19 SER HB2 3.750 . 3.750 3.278 2.427 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 19 SER H 1 20 ALA MB 5.270 . 5.270 4.305 4.175 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 19 SER H 1 20 ALA H 3.980 . 3.980 2.637 2.519 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 19 SER H 1 46 ASP HA 5.500 . 5.500 5.148 4.063 5.579 0.079 12 0 "[ . 1 . 2 . 3]" 1
190 1 19 SER H 1 47 HIS HA 3.930 . 3.930 2.892 2.274 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 19 SER H 1 47 HIS HD2 4.630 . 4.630 3.643 2.182 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 19 SER H 1 48 VAL H 4.510 . 4.510 3.694 2.742 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 20 ALA HA 1 23 ILE H 3.860 . 3.860 3.587 3.226 3.884 0.024 11 0 "[ . 1 . 2 . 3]" 1
194 1 20 ALA HA 1 24 ALA MB 5.770 . 5.770 4.664 4.058 5.241 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 20 ALA HA 1 24 ALA H 4.450 . 4.450 4.140 3.726 4.481 0.031 26 0 "[ . 1 . 2 . 3]" 1
196 1 20 ALA MB 1 21 ASP H 4.250 . 4.250 2.502 2.358 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 20 ALA MB 1 24 ALA H 6.070 . 6.070 4.648 4.295 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 20 ALA H 1 21 ASP H 3.470 . 3.470 2.732 2.595 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 21 ASP HA 1 24 ALA MB 4.240 . 4.240 2.653 2.387 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 21 ASP HA 1 24 ALA H 3.750 . 3.750 3.509 3.316 3.783 0.033 14 0 "[ . 1 . 2 . 3]" 1
201 1 21 ASP HB3 1 22 ALA H 4.340 . 4.340 2.961 2.488 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 21 ASP HB2 1 22 ALA H 4.340 . 4.340 3.326 2.367 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 21 ASP H 1 21 ASP HB3 3.590 . 3.590 3.007 2.418 3.639 0.049 17 0 "[ . 1 . 2 . 3]" 1
204 1 21 ASP H 1 21 ASP HB2 3.590 . 3.590 2.508 2.311 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 21 ASP H 1 22 ALA H 3.710 . 3.710 2.582 2.478 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 21 ASP H 1 23 ILE H 4.740 . 4.740 4.267 4.015 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 21 ASP H 1 24 ALA MB 5.580 . 5.580 4.743 4.486 5.100 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 22 ALA HA 1 24 ALA H 4.890 . 4.890 4.545 4.374 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 22 ALA HA 1 25 THR H 4.240 . 4.240 3.625 3.336 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 22 ALA MB 1 23 ILE H 4.710 . 4.710 2.346 2.248 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 22 ALA MB 1 24 ALA H 6.380 . 6.380 4.479 4.322 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 22 ALA MB 1 25 THR H 5.780 . 5.780 4.693 4.482 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 22 ALA MB 1 48 VAL HB 5.430 . 5.430 3.695 2.558 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 22 ALA MB 1 48 VAL H 5.910 . 5.910 4.533 4.080 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 23 ILE HA 1 26 LEU H 4.660 . 4.660 3.784 3.357 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 23 ILE HA 1 27 GLN H 4.670 . 4.670 4.067 3.923 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 23 ILE HA 1 33 ILE MD 5.760 . 5.760 3.293 2.683 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 23 ILE HB 1 24 ALA H 3.680 . 3.680 2.671 2.455 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 23 ILE MD 1 24 ALA H 5.550 . 5.550 4.461 4.231 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 23 ILE QG 1 24 ALA H 6.020 . 6.020 4.257 3.949 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 23 ILE MG 1 24 ALA H 4.610 . 4.610 3.146 2.841 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 23 ILE MG 1 27 GLN QE 4.100 . 4.100 3.255 2.150 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 23 ILE MG 1 27 GLN HE21 4.890 . 4.890 3.348 2.216 3.782 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 23 ILE MG 1 27 GLN HE22 4.890 . 4.890 4.443 2.899 4.911 0.021 28 0 "[ . 1 . 2 . 3]" 1
225 1 23 ILE MG 1 27 GLN H 4.960 . 4.960 4.153 3.919 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 23 ILE H 1 23 ILE HB 3.480 . 3.480 2.407 2.212 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 23 ILE H 1 23 ILE MD 4.300 . 4.300 3.114 2.238 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 23 ILE H 1 23 ILE QG 4.400 . 4.400 2.665 2.049 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 23 ILE H 1 23 ILE HG12 4.020 . 4.020 3.664 3.359 4.041 0.021 14 0 "[ . 1 . 2 . 3]" 1
230 1 23 ILE H 1 24 ALA HA 5.480 . 5.480 5.319 5.200 5.379 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 23 ILE H 1 24 ALA MB 5.800 . 5.800 4.401 4.268 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 23 ILE H 1 24 ALA H 3.430 . 3.430 2.729 2.594 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 23 ILE H 1 25 THR H 4.290 . 4.290 4.231 4.067 4.333 0.043 3 0 "[ . 1 . 2 . 3]" 1
234 1 24 ALA HA 1 27 GLN QB 3.380 . 3.380 2.476 2.137 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 24 ALA HA 1 27 GLN HB3 4.180 . 4.180 2.596 2.181 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 24 ALA HA 1 27 GLN HB2 4.180 . 4.180 3.161 3.037 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 24 ALA HA 1 27 GLN QE 4.620 . 4.620 4.624 4.026 4.716 0.096 22 0 "[ . 1 . 2 . 3]" 1
238 1 24 ALA HA 1 27 GLN QG 4.470 . 4.470 3.777 3.468 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 24 ALA HA 1 27 GLN H 4.200 . 4.200 3.560 3.384 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 24 ALA HA 1 28 ASN QD 5.050 . 5.050 3.449 3.018 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 24 ALA HA 1 28 ASN H 4.530 . 4.530 3.991 3.699 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 24 ALA MB 1 25 THR MG 7.140 . 7.140 4.901 4.782 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 24 ALA MB 1 25 THR H 4.270 . 4.270 2.537 2.422 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 24 ALA MB 1 27 GLN QB 5.620 . 5.620 3.782 3.550 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 24 ALA MB 1 28 ASN QD 4.250 . 4.250 2.919 2.476 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 24 ALA MB 1 28 ASN HD21 4.830 . 4.830 3.240 2.694 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 24 ALA MB 1 28 ASN HD22 4.830 . 4.830 3.359 2.887 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 24 ALA H 1 25 THR H 3.510 . 3.510 2.711 2.642 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 25 THR HA 1 28 ASN QD 4.550 . 4.550 3.413 2.919 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 25 THR HA 1 28 ASN H 4.000 . 4.000 3.580 3.467 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 25 THR HB 1 26 LEU HA 4.410 . 4.410 4.292 4.127 4.413 0.003 29 0 "[ . 1 . 2 . 3]" 1
252 1 25 THR MG 1 26 LEU HA 5.570 . 5.570 3.521 3.372 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 25 THR MG 1 26 LEU QD 8.080 . 8.080 2.955 2.648 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 25 THR MG 1 26 LEU H 4.990 . 4.990 3.436 3.316 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 25 THR MG 1 28 ASN QD 5.520 . 5.520 5.006 4.500 5.531 0.011 1 0 "[ . 1 . 2 . 3]" 1
256 1 25 THR H 1 25 THR HB 3.220 . 3.220 2.550 2.463 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 25 THR H 1 25 THR MG 4.800 . 4.800 3.758 3.728 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 25 THR H 1 26 LEU QD 6.500 . 6.500 4.197 3.741 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 25 THR H 1 27 GLN H 4.420 . 4.420 4.053 3.870 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 26 LEU QB 1 27 GLN QE 5.130 . 5.130 4.635 4.389 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 26 LEU QB 1 27 GLN H 4.040 . 4.040 2.716 2.550 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 26 LEU QB 1 31 PHE QD 6.720 . 6.720 4.107 3.427 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 26 LEU QD 1 27 GLN H 6.420 . 6.420 3.974 3.807 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 26 LEU QD 1 31 PHE QD 7.810 . 7.810 3.107 2.369 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 26 LEU QD 1 31 PHE QE 8.140 . 8.140 4.095 3.319 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 26 LEU QD 1 31 PHE H 6.380 . 6.380 4.141 3.740 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 26 LEU QD 1 32 LYS H 6.590 . 6.590 4.810 4.129 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 26 LEU QD 1 63 ASP H 6.780 . 6.780 5.775 5.046 6.787 0.007 8 0 "[ . 1 . 2 . 3]" 1
269 1 26 LEU H 1 26 LEU QB 3.380 . 3.380 2.331 2.069 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 26 LEU H 1 26 LEU HB3 4.020 . 4.020 3.557 2.579 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 26 LEU H 1 26 LEU HB2 4.020 . 4.020 2.365 2.179 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 26 LEU H 1 26 LEU MD1 5.440 . 5.440 3.650 2.282 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 26 LEU H 1 26 LEU MD2 5.440 . 5.440 2.647 2.109 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 26 LEU H 1 27 GLN H 3.850 . 3.850 2.608 2.568 2.654 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 26 LEU H 1 28 ASN H 4.150 . 4.150 4.176 4.101 4.224 0.074 13 0 "[ . 1 . 2 . 3]" 1
276 1 27 GLN HA 1 27 GLN QE 3.820 . 3.820 2.717 2.482 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 27 GLN HA 1 27 GLN HE21 4.490 . 4.490 2.844 2.567 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 27 GLN HA 1 27 GLN HE22 4.490 . 4.490 3.467 3.257 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 27 GLN HA 1 27 GLN QG 3.550 . 3.550 2.897 2.628 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 27 GLN HA 1 30 GLY H 3.560 . 3.560 3.466 3.351 3.621 0.061 19 0 "[ . 1 . 2 . 3]" 1
281 1 27 GLN HA 1 31 PHE QB 4.550 . 4.550 4.520 4.296 4.599 0.049 13 0 "[ . 1 . 2 . 3]" 1
282 1 27 GLN HA 1 31 PHE H 3.840 . 3.840 3.702 3.433 3.870 0.030 19 0 "[ . 1 . 2 . 3]" 1
283 1 27 GLN HA 1 33 ILE MD 4.640 . 4.640 3.178 2.754 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 27 GLN QB 1 27 GLN QE 3.160 . 3.160 1.825 1.764 2.618 0.036 14 0 "[ . 1 . 2 . 3]" 1
285 1 27 GLN QB 1 28 ASN H 3.490 . 3.490 2.372 2.205 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 27 GLN QB 1 33 ILE QG 4.460 . 4.460 4.282 3.806 4.506 0.046 10 0 "[ . 1 . 2 . 3]" 1
287 1 27 GLN HB3 1 28 ASN H 4.010 . 4.010 2.401 2.232 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 27 GLN HB2 1 28 ASN H 4.010 . 4.010 3.690 3.422 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 27 GLN QE 1 33 ILE MD 4.310 . 4.310 1.969 1.795 2.325 0.005 24 0 "[ . 1 . 2 . 3]" 1
290 1 27 GLN QE 1 33 ILE QG 3.780 . 3.780 3.607 2.759 3.806 0.026 9 0 "[ . 1 . 2 . 3]" 1
291 1 27 GLN HE21 1 33 ILE MD 4.940 . 4.940 2.081 1.838 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 27 GLN HE22 1 33 ILE MD 4.940 . 4.940 2.581 1.849 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 27 GLN QE 1 27 GLN QG 3.010 . 3.010 2.631 2.166 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 27 GLN H 1 27 GLN HB3 3.640 . 3.640 2.573 2.448 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 27 GLN H 1 27 GLN HB2 3.640 . 3.640 2.411 2.085 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 27 GLN H 1 27 GLN QE 4.300 . 4.300 3.770 3.578 4.375 0.075 2 0 "[ . 1 . 2 . 3]" 1
297 1 27 GLN H 1 27 GLN HG3 4.700 . 4.700 4.460 4.418 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 27 GLN H 1 27 GLN HG2 4.700 . 4.700 4.579 4.453 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 27 GLN H 1 28 ASN H 3.560 . 3.560 2.678 2.617 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 27 GLN H 1 29 ARG H 4.640 . 4.640 3.907 3.706 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 27 GLN H 1 30 GLY H 4.690 . 4.690 4.758 4.717 4.803 0.113 6 0 "[ . 1 . 2 . 3]" 1
302 1 27 GLN H 1 33 ILE MD 4.630 . 4.630 3.233 2.698 4.644 0.014 3 0 "[ . 1 . 2 . 3]" 1
303 1 28 ASN HA 1 28 ASN QD 3.600 . 3.600 3.324 2.331 3.759 0.159 4 0 "[ . 1 . 2 . 3]" 1
304 1 28 ASN HA 1 28 ASN HD21 4.180 . 4.180 3.554 2.363 4.184 0.004 4 0 "[ . 1 . 2 . 3]" 1
305 1 28 ASN HA 1 28 ASN HD22 4.180 . 4.180 4.072 3.568 4.257 0.077 4 0 "[ . 1 . 2 . 3]" 1
306 1 28 ASN HA 1 30 GLY H 4.020 . 4.020 3.738 3.507 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 28 ASN QB 1 28 ASN QD 2.820 . 2.820 2.262 2.092 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 28 ASN QB 1 29 ARG QD 5.180 . 5.180 3.917 2.617 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 28 ASN HB3 1 29 ARG H 4.110 . 4.110 3.738 3.452 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 28 ASN HB2 1 29 ARG H 4.110 . 4.110 3.115 2.899 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 28 ASN H 1 28 ASN QB 3.020 . 3.020 2.322 2.206 2.396 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 28 ASN H 1 28 ASN HB3 3.640 . 3.640 3.603 3.524 3.645 0.005 6 0 "[ . 1 . 2 . 3]" 1
313 1 28 ASN H 1 28 ASN HB2 3.640 . 3.640 2.351 2.229 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 28 ASN H 1 28 ASN QD 3.790 . 3.790 2.533 2.185 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 28 ASN H 1 28 ASN HD21 4.440 . 4.440 2.575 2.198 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 28 ASN H 1 28 ASN HD22 4.440 . 4.440 3.952 3.728 4.483 0.043 30 0 "[ . 1 . 2 . 3]" 1
317 1 28 ASN H 1 29 ARG H 3.700 . 3.700 2.566 2.474 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 28 ASN H 1 30 GLY H 4.300 . 4.300 3.887 3.819 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 29 ARG HA 1 29 ARG QD 4.720 . 4.720 2.140 1.891 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 29 ARG HA 1 31 PHE QD 6.640 . 6.640 4.321 4.066 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 29 ARG HA 1 31 PHE QE 7.290 . 7.290 4.932 4.574 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 29 ARG QB 1 30 GLY H 4.480 . 4.480 3.145 2.963 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 29 ARG QB 1 31 PHE QD 7.250 . 7.250 2.020 1.903 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 29 ARG HB3 1 30 GLY H 4.220 . 4.220 3.765 3.080 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 29 ARG HB3 1 31 PHE H 3.990 . 3.990 3.579 2.531 4.054 0.064 22 0 "[ . 1 . 2 . 3]" 1
326 1 29 ARG HB2 1 30 GLY H 4.220 . 4.220 3.512 3.210 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 29 ARG HB2 1 31 PHE H 3.990 . 3.990 3.523 2.872 4.131 0.141 21 0 "[ . 1 . 2 . 3]" 1
328 1 29 ARG QG 1 30 GLY H 5.760 . 5.760 4.536 4.250 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 29 ARG QG 1 31 PHE H 5.690 . 5.690 4.739 3.834 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 29 ARG H 1 29 ARG HB3 3.650 . 3.650 3.350 2.606 3.659 0.009 12 0 "[ . 1 . 2 . 3]" 1
331 1 29 ARG H 1 29 ARG HB2 3.650 . 3.650 2.362 2.219 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 29 ARG H 1 29 ARG QD 5.210 . 5.210 3.579 2.485 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 29 ARG H 1 30 GLY QA 5.260 . 5.260 4.340 4.201 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 29 ARG H 1 30 GLY HA3 5.090 . 5.090 5.056 4.918 5.117 0.027 7 0 "[ . 1 . 2 . 3]" 1
335 1 29 ARG H 1 30 GLY HA2 5.090 . 5.090 4.725 4.560 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 29 ARG H 1 30 GLY H 3.360 . 3.360 2.378 2.204 2.474 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 29 ARG H 1 31 PHE QD 7.030 . 7.030 4.234 3.944 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 29 ARG H 1 31 PHE H 3.810 . 3.810 3.630 3.423 3.821 0.011 3 0 "[ . 1 . 2 . 3]" 1
339 1 30 GLY H 1 31 PHE QD 6.470 . 6.470 3.889 3.634 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 30 GLY H 1 31 PHE H 3.130 . 3.130 2.265 2.124 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 31 PHE HA 1 32 LYS H 3.290 . 3.290 2.316 2.203 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 31 PHE HA 1 62 GLY H 5.140 . 5.140 3.588 2.594 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 31 PHE QB 1 32 LYS H 3.390 . 3.390 2.457 2.187 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 31 PHE HB3 1 32 LYS H 3.860 . 3.860 2.491 2.206 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 31 PHE HB2 1 32 LYS H 3.860 . 3.860 3.774 3.543 3.898 0.038 24 0 "[ . 1 . 2 . 3]" 1
346 1 31 PHE QD 1 32 LYS H 5.990 . 5.990 3.492 3.208 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 31 PHE QD 1 62 GLY QA 5.860 . 5.860 3.521 2.384 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 31 PHE QD 1 62 GLY H 6.720 . 6.720 3.179 2.502 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 31 PHE QD 1 63 ASP H 5.630 . 5.630 2.476 2.050 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 31 PHE QD 1 65 ILE MD 7.620 . 7.620 3.457 2.599 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 31 PHE QE 1 61 ALA MB 7.680 . 7.680 3.763 2.716 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 31 PHE QE 1 62 GLY QA 6.070 . 6.070 4.240 3.476 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 31 PHE QE 1 62 GLY H 6.730 . 6.730 2.872 1.952 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 31 PHE QE 1 63 ASP H 5.870 . 5.870 2.951 2.536 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 31 PHE QE 1 65 ILE MD 8.120 . 8.120 3.807 2.941 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 31 PHE H 1 31 PHE HB3 3.530 . 3.530 3.563 3.540 3.589 0.059 20 0 "[ . 1 . 2 . 3]" 1
357 1 31 PHE H 1 31 PHE HB2 3.530 . 3.530 2.316 2.263 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 31 PHE H 1 31 PHE QD 5.440 . 5.440 2.528 2.242 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 31 PHE H 1 31 PHE QE 7.280 . 7.280 4.721 4.492 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 31 PHE H 1 33 ILE MD 5.360 . 5.360 5.010 4.391 5.398 0.038 22 0 "[ . 1 . 2 . 3]" 1
361 1 32 LYS HA 1 32 LYS QD 4.200 . 4.200 2.283 1.939 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 32 LYS HA 1 33 ILE H 2.820 . 2.820 2.264 2.133 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 32 LYS QB 1 33 ILE H 3.240 . 3.240 2.857 2.431 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 32 LYS QB 1 65 ILE H 4.370 . 4.370 3.795 3.574 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 32 LYS QD 1 33 ILE H 5.130 . 5.130 3.948 3.514 5.163 0.033 15 0 "[ . 1 . 2 . 3]" 1
366 1 32 LYS H 1 32 LYS QB 3.590 . 3.590 2.459 2.306 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 32 LYS H 1 32 LYS QD 5.320 . 5.320 3.617 2.117 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 32 LYS H 1 32 LYS QG 4.470 . 4.470 2.561 2.081 3.491 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 32 LYS H 1 33 ILE MD 6.110 . 6.110 4.646 4.308 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 32 LYS H 1 33 ILE MG 6.070 . 6.070 4.336 3.937 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 32 LYS H 1 33 ILE H 4.720 . 4.720 4.434 4.312 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 32 LYS H 1 62 GLY QA 3.990 . 3.990 3.742 3.245 4.023 0.033 17 0 "[ . 1 . 2 . 3]" 1
373 1 32 LYS H 1 64 GLU HA 4.030 . 4.030 2.862 2.500 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 32 LYS H 1 65 ILE H 4.540 . 4.540 3.874 3.632 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 33 ILE HA 1 33 ILE MD 4.770 . 4.770 3.569 3.503 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 33 ILE HA 1 34 ARG QB 5.810 . 5.810 3.916 3.657 4.082 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 33 ILE HA 1 34 ARG H 3.130 . 3.130 2.079 1.955 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 33 ILE HA 1 65 ILE HB 5.220 . 5.220 3.474 3.164 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 33 ILE HA 1 65 ILE QG 5.660 . 5.660 4.571 4.274 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 33 ILE HA 1 65 ILE H 4.350 . 4.350 2.530 2.257 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 33 ILE HB 1 34 ARG H 3.690 . 3.690 2.693 2.361 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 33 ILE HB 1 66 THR HA 4.740 . 4.740 4.422 3.690 4.754 0.014 3 0 "[ . 1 . 2 . 3]" 1
383 1 33 ILE MG 1 34 ARG H 4.720 . 4.720 3.403 3.176 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 33 ILE H 1 33 ILE MD 4.900 . 4.900 1.901 1.767 2.035 0.033 3 0 "[ . 1 . 2 . 3]" 1
385 1 33 ILE H 1 33 ILE QG 3.180 . 3.180 2.851 2.625 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 33 ILE H 1 33 ILE HG12 3.980 . 3.980 2.911 2.664 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 33 ILE H 1 33 ILE MG 4.390 . 4.390 3.275 2.886 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 33 ILE H 1 34 ARG H 4.490 . 4.490 4.300 4.234 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 34 ARG HA 1 34 ARG QG 3.030 . 3.030 2.477 2.307 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 34 ARG HA 1 34 ARG HG3 3.460 . 3.460 2.571 2.362 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 34 ARG HA 1 34 ARG HG2 3.460 . 3.460 3.254 3.090 3.654 0.194 25 0 "[ . 1 . 2 . 3]" 1
392 1 34 ARG HA 1 35 THR HA 4.820 . 4.820 4.309 4.257 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 34 ARG HA 1 35 THR H 2.610 . 2.610 2.198 2.101 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 34 ARG HA 1 66 THR HA 4.620 . 4.620 4.514 4.288 4.659 0.039 18 0 "[ . 1 . 2 . 3]" 1
395 1 34 ARG QB 1 66 THR HA 4.740 . 4.740 2.371 1.998 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 34 ARG QB 1 66 THR HB 5.060 . 5.060 2.842 2.232 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 34 ARG HB3 1 66 THR HB 4.860 . 4.860 2.879 2.257 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 34 ARG HB3 1 67 VAL H 5.500 . 5.500 3.767 3.401 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 34 ARG HB2 1 66 THR HB 4.860 . 4.860 4.377 3.510 4.936 0.076 7 0 "[ . 1 . 2 . 3]" 1
400 1 34 ARG HB2 1 67 VAL H 5.500 . 5.500 5.277 4.997 5.531 0.031 27 0 "[ . 1 . 2 . 3]" 1
401 1 34 ARG QG 1 35 THR H 3.290 . 3.290 2.663 2.083 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 34 ARG QG 1 66 THR HA 4.520 . 4.520 3.843 3.298 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 34 ARG HG3 1 35 THR HA 4.930 . 4.930 4.932 3.718 5.045 0.115 7 0 "[ . 1 . 2 . 3]" 1
404 1 34 ARG HG3 1 35 THR H 3.760 . 3.760 2.915 2.092 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 34 ARG HG2 1 35 THR HA 4.930 . 4.930 4.054 3.673 4.954 0.024 25 0 "[ . 1 . 2 . 3]" 1
406 1 34 ARG HG2 1 35 THR H 3.760 . 3.760 3.142 2.594 3.804 0.044 25 0 "[ . 1 . 2 . 3]" 1
407 1 34 ARG H 1 34 ARG HG3 4.680 . 4.680 4.615 4.312 4.698 0.018 20 0 "[ . 1 . 2 . 3]" 1
408 1 34 ARG H 1 34 ARG HG2 4.680 . 4.680 4.329 4.149 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 34 ARG H 1 35 THR H 4.370 . 4.370 4.299 4.181 4.381 0.011 13 0 "[ . 1 . 2 . 3]" 1
410 1 34 ARG H 1 65 ILE H 4.460 . 4.460 3.798 3.295 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 34 ARG H 1 66 THR HA 4.020 . 4.020 2.491 2.257 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 34 ARG H 1 67 VAL QG 6.430 . 6.430 3.640 3.455 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 34 ARG H 1 67 VAL H 4.330 . 4.330 3.388 3.115 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 35 THR HA 1 36 LEU HA 5.150 . 5.150 4.365 4.303 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 35 THR HA 1 36 LEU QB 6.100 . 6.100 3.975 3.866 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 35 THR HA 1 36 LEU H 3.100 . 3.100 2.130 2.062 2.201 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 35 THR HA 1 66 THR HA 4.570 . 4.570 4.371 3.894 4.593 0.023 16 0 "[ . 1 . 2 . 3]" 1
418 1 35 THR HA 1 67 VAL HB 4.410 . 4.410 3.015 2.463 4.505 0.095 21 0 "[ . 1 . 2 . 3]" 1
419 1 35 THR HA 1 67 VAL H 3.970 . 3.970 2.873 2.447 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 35 THR HA 1 68 ASN HA 4.770 . 4.770 4.599 4.178 4.849 0.079 30 0 "[ . 1 . 2 . 3]" 1
421 1 35 THR HB 1 36 LEU HA 4.680 . 4.680 4.654 4.514 4.715 0.035 1 0 "[ . 1 . 2 . 3]" 1
422 1 35 THR HB 1 36 LEU H 4.100 . 4.100 4.043 3.332 4.147 0.047 8 0 "[ . 1 . 2 . 3]" 1
423 1 35 THR HB 1 37 GLN QE 3.610 . 3.610 2.896 2.241 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 35 THR HB 1 37 GLN HE21 4.110 . 4.110 3.717 2.945 4.128 0.018 21 0 "[ . 1 . 2 . 3]" 1
425 1 35 THR HB 1 37 GLN HE22 4.110 . 4.110 3.047 2.284 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 35 THR MG 1 36 LEU H 4.580 . 4.580 2.899 2.557 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 35 THR MG 1 37 GLN QE 4.380 . 4.380 2.605 1.975 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 35 THR MG 1 37 GLN HE21 5.000 . 5.000 2.819 2.053 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 35 THR MG 1 37 GLN HE22 5.000 . 5.000 3.160 2.406 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 35 THR MG 1 67 VAL HB 5.300 . 5.300 3.200 2.423 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 35 THR H 1 35 THR HB 3.550 . 3.550 2.726 2.531 3.576 0.026 16 0 "[ . 1 . 2 . 3]" 1
432 1 36 LEU HA 1 36 LEU MD1 4.600 . 4.600 3.047 2.111 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 36 LEU HA 1 36 LEU MD2 4.600 . 4.600 2.303 2.056 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 36 LEU HA 1 36 LEU HG 3.890 . 3.890 3.711 2.642 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 36 LEU HA 1 37 GLN HA 4.670 . 4.670 4.352 4.309 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 36 LEU HA 1 37 GLN QE 3.690 . 3.690 2.917 2.440 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 36 LEU HA 1 37 GLN HE21 4.290 . 4.290 3.139 2.560 4.338 0.048 4 0 "[ . 1 . 2 . 3]" 1
438 1 36 LEU HA 1 37 GLN HE22 4.290 . 4.290 3.593 3.075 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 36 LEU HA 1 37 GLN QG 4.860 . 4.860 4.403 4.252 4.867 0.007 15 0 "[ . 1 . 2 . 3]" 1
440 1 36 LEU HA 1 37 GLN H 2.960 . 2.960 2.166 2.101 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 36 LEU QB 1 37 GLN H 5.230 . 5.230 3.855 3.742 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 36 LEU QB 1 69 VAL H 5.260 . 5.260 3.766 3.338 3.994 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 36 LEU QD 1 37 GLN H 5.930 . 5.930 2.499 2.102 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 36 LEU QD 1 38 LYS QB 6.310 . 6.310 2.499 1.990 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 36 LEU QD 1 38 LYS QG 5.120 . 5.120 3.065 2.510 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 36 LEU MD1 1 37 GLN H 5.650 . 5.650 2.923 2.507 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 36 LEU MD2 1 37 GLN H 5.650 . 5.650 2.918 2.189 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 36 LEU H 1 37 GLN QB 6.220 . 6.220 5.175 4.713 5.888 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 36 LEU H 1 37 GLN H 4.540 . 4.540 4.244 4.182 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 36 LEU H 1 67 VAL HB 5.500 . 5.500 4.178 3.687 5.515 0.015 21 0 "[ . 1 . 2 . 3]" 1
451 1 36 LEU H 1 67 VAL H 4.560 . 4.560 3.655 3.445 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 36 LEU H 1 68 ASN HA 3.860 . 3.860 2.942 2.569 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 36 LEU H 1 69 VAL H 4.290 . 4.290 3.669 3.485 3.937 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 37 GLN HA 1 37 GLN QE 4.080 . 4.080 3.255 2.932 4.113 0.033 4 0 "[ . 1 . 2 . 3]" 1
455 1 37 GLN HA 1 38 LYS H 3.260 . 3.260 2.108 2.033 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 37 GLN HA 1 71 THR MG 5.290 . 5.290 4.065 3.276 5.359 0.069 3 0 "[ . 1 . 2 . 3]" 1
457 1 37 GLN HA 1 71 THR H 4.370 . 4.370 4.281 3.990 4.409 0.039 14 0 "[ . 1 . 2 . 3]" 1
458 1 37 GLN QB 1 37 GLN QE 3.630 . 3.630 2.208 1.808 3.646 0.016 4 0 "[ . 1 . 2 . 3]" 1
459 1 37 GLN QB 1 71 THR MG 5.430 . 5.430 2.435 1.794 3.546 0.006 30 0 "[ . 1 . 2 . 3]" 1
460 1 37 GLN HB3 1 71 THR MG 5.230 . 5.230 3.356 1.996 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 37 GLN HB2 1 71 THR MG 5.230 . 5.230 2.640 1.806 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 37 GLN QE 1 69 VAL QG 5.570 . 5.570 3.280 2.090 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 37 GLN QG 1 71 THR MG 5.590 . 5.590 2.996 2.192 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 37 GLN HG3 1 71 THR MG 5.370 . 5.370 3.177 2.260 5.403 0.033 26 0 "[ . 1 . 2 . 3]" 1
465 1 37 GLN HG2 1 71 THR MG 5.370 . 5.370 3.960 2.902 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 37 GLN H 1 37 GLN QG 4.210 . 4.210 2.551 2.344 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 37 GLN H 1 37 GLN HG3 3.820 . 3.820 3.790 3.148 3.902 0.082 22 0 "[ . 1 . 2 . 3]" 1
468 1 37 GLN H 1 37 GLN HG2 3.820 . 3.820 2.676 2.365 3.956 0.136 26 0 "[ . 1 . 2 . 3]" 1
469 1 37 GLN H 1 38 LYS H 4.590 . 4.590 4.314 4.235 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 38 LYS HA 1 39 PRO QG 4.850 . 4.850 3.846 3.711 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 38 LYS HA 1 39 PRO HG3 4.580 . 4.580 4.224 3.981 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 38 LYS HA 1 39 PRO HG2 4.580 . 4.580 4.439 4.288 4.585 0.005 12 0 "[ . 1 . 2 . 3]" 1
473 1 38 LYS QG 1 71 THR H 4.300 . 4.300 3.861 3.417 4.347 0.047 6 0 "[ . 1 . 2 . 3]" 1
474 1 38 LYS H 1 38 LYS HB3 3.950 . 3.950 3.252 3.135 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 38 LYS H 1 38 LYS HB2 3.950 . 3.950 3.813 3.702 3.952 0.002 26 0 "[ . 1 . 2 . 3]" 1
476 1 38 LYS H 1 38 LYS QD 5.500 . 5.500 4.236 3.310 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 38 LYS H 1 38 LYS HG3 3.660 . 3.660 2.922 2.121 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 38 LYS H 1 38 LYS HG2 3.660 . 3.660 2.523 2.180 3.709 0.049 6 0 "[ . 1 . 2 . 3]" 1
479 1 38 LYS H 1 39 PRO QD 5.310 . 5.310 4.126 3.903 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 38 LYS H 1 69 VAL QG 7.320 . 7.320 3.854 3.339 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 38 LYS H 1 69 VAL H 4.580 . 4.580 3.868 3.443 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 38 LYS H 1 71 THR H 3.700 . 3.700 2.968 2.743 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 39 PRO HA 1 40 ASP H 3.410 . 3.410 2.224 2.158 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 39 PRO HA 1 74 GLU QG 5.900 . 5.900 4.171 3.550 5.785 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 39 PRO QB 1 40 ASP H 3.420 . 3.420 3.184 2.687 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 39 PRO QB 1 71 THR H 4.590 . 4.590 4.443 4.162 4.634 0.044 23 0 "[ . 1 . 2 . 3]" 1
487 1 39 PRO QB 1 72 GLY H 5.230 . 5.230 5.064 3.913 5.263 0.033 21 0 "[ . 1 . 2 . 3]" 1
488 1 39 PRO HB3 1 40 ASP H 4.020 . 4.020 3.877 3.558 4.038 0.018 20 0 "[ . 1 . 2 . 3]" 1
489 1 39 PRO HB2 1 40 ASP H 4.020 . 4.020 3.401 2.762 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 40 ASP HA 1 41 SER H 3.100 . 3.100 2.659 2.435 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 40 ASP HA 1 42 THR H 4.580 . 4.580 4.240 4.046 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 40 ASP HA 1 73 PRO HA 4.560 . 4.560 4.283 3.431 4.632 0.072 28 0 "[ . 1 . 2 . 3]" 1
493 1 40 ASP HA 1 74 GLU QB 3.020 . 3.020 2.124 1.885 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 40 ASP HA 1 74 GLU HB3 3.660 . 3.660 3.579 2.382 3.774 0.114 28 0 "[ . 1 . 2 . 3]" 1
495 1 40 ASP HA 1 74 GLU HB2 3.660 . 3.660 2.149 1.906 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 40 ASP HA 1 74 GLU QG 4.400 . 4.400 2.330 1.817 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 40 ASP QB 1 41 SER H 4.820 . 4.820 2.784 2.456 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 40 ASP QB 1 42 THR H 5.490 . 5.490 2.919 2.486 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 40 ASP QB 1 43 ILE MG 6.040 . 6.040 2.122 1.776 3.452 0.024 25 0 "[ . 1 . 2 . 3]" 1
500 1 40 ASP QB 1 43 ILE H 5.650 . 5.650 3.505 2.817 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 40 ASP HB3 1 42 THR H 5.430 . 5.430 2.977 2.512 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 40 ASP HB3 1 43 ILE H 5.500 . 5.500 3.559 2.844 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 40 ASP HB2 1 42 THR H 5.430 . 5.430 4.266 3.948 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 40 ASP HB2 1 43 ILE H 5.500 . 5.500 5.270 4.558 5.556 0.056 20 0 "[ . 1 . 2 . 3]" 1
505 1 40 ASP H 1 41 SER H 4.480 . 4.480 4.284 4.191 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 40 ASP H 1 43 ILE MG 5.920 . 5.920 3.488 2.000 5.938 0.018 22 0 "[ . 1 . 2 . 3]" 1
507 1 40 ASP H 1 74 GLU HA 4.730 . 4.730 4.644 4.261 4.808 0.078 8 0 "[ . 1 . 2 . 3]" 1
508 1 40 ASP H 1 74 GLU QG 5.320 . 5.320 3.405 2.585 5.295 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 40 ASP H 1 74 GLU H 4.030 . 4.030 3.088 2.756 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 41 SER HA 1 43 ILE QG 4.600 . 4.600 3.183 2.054 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 41 SER QB 1 42 THR H 4.800 . 4.800 3.078 2.347 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 41 SER QB 1 74 GLU H 5.560 . 5.560 4.064 2.550 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 41 SER H 1 42 THR H 3.780 . 3.780 1.863 1.737 2.163 0.063 18 0 "[ . 1 . 2 . 3]" 1
514 1 41 SER H 1 43 ILE H 4.610 . 4.610 3.984 3.298 4.698 0.088 28 0 "[ . 1 . 2 . 3]" 1
515 1 42 THR HB 1 43 ILE H 4.700 . 4.700 3.966 2.854 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 42 THR MG 1 43 ILE H 5.510 . 5.510 4.102 3.538 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 42 THR H 1 42 THR HB 3.520 . 3.520 2.805 2.529 3.572 0.052 24 0 "[ . 1 . 2 . 3]" 1
518 1 42 THR H 1 43 ILE MD 5.650 . 5.650 4.837 3.999 5.681 0.031 5 0 "[ . 1 . 2 . 3]" 1
519 1 42 THR H 1 43 ILE QG 4.710 . 4.710 3.633 2.746 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 42 THR H 1 43 ILE MG 5.160 . 5.160 3.616 3.020 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 42 THR H 1 43 ILE H 3.470 . 3.470 2.796 2.040 3.508 0.038 20 0 "[ . 1 . 2 . 3]" 1
522 1 43 ILE HB 1 70 SER QB 4.390 . 4.390 2.441 1.798 3.440 0.002 26 0 "[ . 1 . 2 . 3]" 1
523 1 43 ILE HB 1 70 SER HB3 4.030 . 4.030 2.636 1.886 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 43 ILE HB 1 70 SER HB2 4.030 . 4.030 3.177 2.073 4.093 0.063 21 0 "[ . 1 . 2 . 3]" 1
525 1 43 ILE H 1 43 ILE HB 3.710 . 3.710 3.614 3.529 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 43 ILE H 1 43 ILE MD 4.880 . 4.880 3.181 2.175 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 43 ILE H 1 43 ILE QG 4.420 . 4.420 1.882 1.780 2.158 0.020 8 0 "[ . 1 . 2 . 3]" 1
528 1 43 ILE H 1 43 ILE HG12 4.180 . 4.180 2.542 1.806 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 43 ILE H 1 43 ILE MG 4.640 . 4.640 2.861 2.595 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 43 ILE H 1 44 PRO QD 5.460 . 5.460 4.307 4.001 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 43 ILE H 1 44 PRO HD3 5.250 . 5.250 4.755 4.153 5.223 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 43 ILE H 1 44 PRO HD2 5.250 . 5.250 4.999 4.737 5.265 0.015 25 0 "[ . 1 . 2 . 3]" 1
533 1 43 ILE H 1 70 SER QB 6.220 . 6.220 4.955 4.604 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 45 PRO HA 1 47 HIS H 4.060 . 4.060 3.889 3.628 4.099 0.039 15 0 "[ . 1 . 2 . 3]" 1
535 1 45 PRO QB 1 46 ASP H 4.580 . 4.580 2.773 2.610 3.077 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 45 PRO HB3 1 46 ASP H 4.330 . 4.330 3.161 2.758 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 45 PRO HB2 1 46 ASP H 4.330 . 4.330 3.177 2.754 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 46 ASP HA 1 69 VAL HA 3.870 . 3.870 3.441 2.283 3.935 0.065 5 0 "[ . 1 . 2 . 3]" 1
539 1 46 ASP HA 1 69 VAL QG 5.120 . 5.120 2.403 1.780 3.092 0.020 20 0 "[ . 1 . 2 . 3]" 1
540 1 46 ASP HA 1 70 SER H 4.290 . 4.290 2.738 2.007 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 46 ASP QB 1 69 VAL QG 7.170 . 7.170 2.440 1.796 3.981 0.004 14 0 "[ . 1 . 2 . 3]" 1
542 1 46 ASP H 1 47 HIS H 4.030 . 4.030 2.717 2.540 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 46 ASP H 1 69 VAL QG 6.120 . 6.120 4.409 3.724 5.327 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 47 HIS HA 1 47 HIS HD2 4.260 . 4.260 2.657 2.433 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 47 HIS HA 1 48 VAL QG 5.890 . 5.890 3.533 3.178 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 47 HIS HA 1 48 VAL H 3.590 . 3.590 2.188 2.005 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 47 HIS QB 1 48 VAL H 4.610 . 4.610 3.092 2.292 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 47 HIS HB3 1 48 VAL H 4.240 . 4.240 3.210 2.318 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 47 HIS HB2 1 48 VAL H 4.240 . 4.240 4.085 3.390 4.303 0.063 11 0 "[ . 1 . 2 . 3]" 1
550 1 47 HIS HD2 1 48 VAL H 4.790 . 4.790 4.572 4.265 4.860 0.070 28 0 "[ . 1 . 2 . 3]" 1
551 1 47 HIS H 1 47 HIS HD2 4.390 . 4.390 3.977 2.990 4.454 0.064 6 0 "[ . 1 . 2 . 3]" 1
552 1 47 HIS H 1 48 VAL QG 7.560 . 7.560 5.153 4.411 5.560 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 47 HIS H 1 48 VAL H 4.650 . 4.650 4.369 4.076 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 47 HIS H 1 69 VAL QG 6.810 . 6.810 4.727 4.026 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 47 HIS H 1 70 SER H 5.500 . 5.500 5.468 4.892 5.589 0.089 5 0 "[ . 1 . 2 . 3]" 1
556 1 48 VAL QG 1 49 ILE H 5.520 . 5.520 2.885 2.743 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 48 VAL QG 1 50 GLY H 5.610 . 5.610 2.608 2.222 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 48 VAL MG1 1 49 ILE H 5.320 . 5.320 3.499 2.845 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 48 VAL MG2 1 49 ILE H 5.320 . 5.320 3.588 2.784 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 48 VAL H 1 48 VAL HB 3.540 . 3.540 2.654 2.455 3.597 0.057 11 0 "[ . 1 . 2 . 3]" 1
561 1 48 VAL H 1 48 VAL MG1 4.780 . 4.780 2.941 1.901 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 48 VAL H 1 48 VAL MG2 4.780 . 4.780 2.799 1.905 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 49 ILE HA 1 50 GLY QA 5.380 . 5.380 4.172 4.090 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 49 ILE HB 1 50 GLY H 4.120 . 4.120 3.747 2.371 4.152 0.032 29 0 "[ . 1 . 2 . 3]" 1
565 1 49 ILE MG 1 50 GLY H 5.130 . 5.130 3.145 2.101 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 49 ILE H 1 50 GLY H 4.410 . 4.410 2.180 1.951 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 50 GLY QA 1 51 THR HA 5.820 . 5.820 3.899 3.852 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 50 GLY QA 1 51 THR MG 6.050 . 6.050 3.771 3.234 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 50 GLY HA3 1 51 THR H 3.390 . 3.390 2.743 2.583 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 50 GLY HA2 1 51 THR H 3.390 . 3.390 2.332 2.250 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 50 GLY H 1 51 THR H 4.620 . 4.620 4.262 4.153 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 51 THR HA 1 52 ASP HA 4.990 . 4.990 4.336 4.199 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 51 THR HA 1 52 ASP H 3.210 . 3.210 2.622 2.503 2.702 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 51 THR HA 1 65 ILE MG 5.750 . 5.750 5.137 4.051 5.718 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 51 THR HB 1 52 ASP HA 4.870 . 4.870 4.494 4.265 4.885 0.015 5 0 "[ . 1 . 2 . 3]" 1
576 1 51 THR HB 1 52 ASP H 3.450 . 3.450 2.111 1.762 2.998 0.038 30 0 "[ . 1 . 2 . 3]" 1
577 1 51 THR HB 1 65 ILE MG 4.420 . 4.420 4.169 3.243 4.499 0.079 15 0 "[ . 1 . 2 . 3]" 1
578 1 51 THR HG1 1 52 ASP H 4.000 . 4.000 3.970 3.360 4.208 0.208 6 0 "[ . 1 . 2 . 3]" 1
579 1 51 THR MG 1 52 ASP H 5.010 . 5.010 2.990 1.728 3.548 0.072 5 0 "[ . 1 . 2 . 3]" 1
580 1 51 THR MG 1 68 ASN QD 6.080 . 6.080 4.884 3.217 6.096 0.016 20 0 "[ . 1 . 2 . 3]" 1
581 1 51 THR H 1 51 THR HB 4.090 . 4.090 3.481 2.725 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 51 THR H 1 51 THR HG1 4.120 . 4.120 2.767 1.850 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 51 THR H 1 51 THR MG 4.740 . 4.740 3.237 2.737 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 51 THR H 1 52 ASP H 4.570 . 4.570 4.288 4.168 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 52 ASP HA 1 53 PRO QG 4.290 . 4.290 3.885 3.701 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 52 ASP HA 1 54 ALA H 4.090 . 4.090 4.102 3.931 4.225 0.135 28 0 "[ . 1 . 2 . 3]" 1
587 1 52 ASP QB 1 53 PRO QD 5.950 . 5.950 3.196 2.009 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 52 ASP H 1 52 ASP HB3 3.680 . 3.680 2.543 2.334 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 52 ASP H 1 52 ASP HB2 3.680 . 3.680 2.915 2.408 3.714 0.034 26 0 "[ . 1 . 2 . 3]" 1
590 1 52 ASP H 1 54 ALA H 5.200 . 5.200 4.806 4.416 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 52 ASP H 1 65 ILE MD 5.860 . 5.860 5.411 4.348 5.892 0.032 9 0 "[ . 1 . 2 . 3]" 1
592 1 52 ASP H 1 65 ILE MG 4.760 . 4.760 3.978 2.768 4.788 0.028 28 0 "[ . 1 . 2 . 3]" 1
593 1 52 ASP H 1 68 ASN QD 5.340 . 5.340 4.768 3.027 5.375 0.035 4 0 "[ . 1 . 2 . 3]" 1
594 1 53 PRO HA 1 54 ALA H 3.440 . 3.440 3.479 3.367 3.506 0.066 27 0 "[ . 1 . 2 . 3]" 1
595 1 53 PRO QB 1 54 ALA H 3.820 . 3.820 2.867 2.465 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 53 PRO HB3 1 54 ALA H 4.660 . 4.660 4.124 3.831 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 53 PRO HB2 1 54 ALA H 4.660 . 4.660 2.928 2.495 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 53 PRO QG 1 54 ALA MB 5.550 . 5.550 5.014 4.016 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 54 ALA MB 1 55 ALA H 4.310 . 4.310 2.770 2.570 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 54 ALA MB 1 57 THR HB 5.720 . 5.720 3.962 3.338 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 54 ALA MB 1 57 THR H 5.730 . 5.730 4.523 4.226 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 55 ALA HA 1 57 THR H 4.300 . 4.300 3.874 3.715 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 55 ALA MB 1 56 ASN QD 4.420 . 4.420 3.038 2.365 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 55 ALA MB 1 56 ASN HD21 5.040 . 5.040 3.282 2.425 5.092 0.052 2 0 "[ . 1 . 2 . 3]" 1
605 1 55 ALA MB 1 56 ASN HD22 5.040 . 5.040 3.771 3.180 5.129 0.089 27 0 "[ . 1 . 2 . 3]" 1
606 1 55 ALA MB 1 56 ASN H 5.190 . 5.190 2.586 2.328 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 55 ALA H 1 56 ASN H 4.540 . 4.540 2.512 2.218 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 56 ASN HA 1 56 ASN QD 3.760 . 3.760 2.731 1.895 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 56 ASN HA 1 56 ASN HD21 4.310 . 4.310 2.845 1.903 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 56 ASN HA 1 56 ASN HD22 4.310 . 4.310 3.818 3.504 4.313 0.003 12 0 "[ . 1 . 2 . 3]" 1
611 1 56 ASN H 1 57 THR H 4.210 . 4.210 2.362 2.226 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 57 THR HA 1 58 SER QB 5.560 . 5.560 4.554 4.354 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 57 THR HA 1 58 SER H 3.040 . 3.040 2.367 2.214 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 57 THR HB 1 58 SER H 4.480 . 4.480 3.876 3.579 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 57 THR MG 1 58 SER H 4.210 . 4.210 2.278 1.919 2.700 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 57 THR MG 1 59 VAL H 5.600 . 5.600 4.604 4.248 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 57 THR H 1 57 THR HB 3.910 . 3.910 2.498 2.418 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 57 THR H 1 57 THR MG 4.790 . 4.790 3.777 3.740 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 57 THR H 1 58 SER H 4.580 . 4.580 4.563 4.484 4.596 0.016 23 0 "[ . 1 . 2 . 3]" 1
620 1 58 SER HA 1 59 VAL HA 4.950 . 4.950 4.379 4.346 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 58 SER HA 1 59 VAL H 2.930 . 2.930 2.109 2.049 2.162 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 58 SER QB 1 59 VAL HA 5.450 . 5.450 4.327 4.197 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 58 SER QB 1 59 VAL H 4.880 . 4.880 3.418 3.247 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 58 SER H 1 59 VAL H 4.490 . 4.490 4.355 4.312 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 59 VAL HA 1 60 SER H 3.230 . 3.230 2.453 2.306 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 59 VAL HB 1 60 SER H 3.010 . 3.010 2.375 2.183 3.088 0.078 27 0 "[ . 1 . 2 . 3]" 1
627 1 59 VAL QG 1 60 SER H 5.550 . 5.550 2.954 1.767 3.277 0.033 2 0 "[ . 1 . 2 . 3]" 1
628 1 59 VAL H 1 59 VAL HB 4.050 . 4.050 3.691 2.882 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 59 VAL H 1 60 SER H 4.570 . 4.570 4.393 4.357 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 60 SER HA 1 61 ALA H 2.980 . 2.980 2.255 2.166 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 60 SER QB 1 61 ALA H 4.890 . 4.890 3.085 2.522 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 60 SER HB3 1 61 ALA H 4.670 . 4.670 3.412 2.696 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 60 SER HB2 1 61 ALA H 4.670 . 4.670 3.816 2.560 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 60 SER H 1 60 SER HB3 4.090 . 4.090 3.118 2.473 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 60 SER H 1 60 SER HB2 4.090 . 4.090 2.681 2.397 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 60 SER H 1 61 ALA H 4.750 . 4.750 4.566 4.502 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 61 ALA HA 1 62 GLY H 3.180 . 3.180 2.105 2.046 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 61 ALA MB 1 62 GLY H 4.560 . 4.560 3.207 2.821 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 61 ALA H 1 62 GLY H 4.730 . 4.730 4.397 4.305 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 62 GLY QA 1 63 ASP H 3.010 . 3.010 2.782 2.288 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 62 GLY H 1 63 ASP QB 4.570 . 4.570 3.941 3.579 4.293 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 62 GLY H 1 63 ASP H 3.450 . 3.450 2.217 1.822 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 63 ASP HA 1 64 GLU H 2.840 . 2.840 2.729 2.352 2.876 0.036 17 0 "[ . 1 . 2 . 3]" 1
644 1 63 ASP QB 1 64 GLU H 3.260 . 3.260 2.769 2.547 3.302 0.042 6 0 "[ . 1 . 2 . 3]" 1
645 1 63 ASP HB3 1 64 GLU H 3.910 . 3.910 2.857 2.600 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 63 ASP HB2 1 64 GLU H 3.910 . 3.910 3.755 3.644 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 63 ASP H 1 63 ASP HB3 3.070 . 3.070 2.740 2.490 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 63 ASP H 1 63 ASP HB2 3.070 . 3.070 2.550 2.258 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 63 ASP H 1 64 GLU H 4.570 . 4.570 4.446 4.270 4.573 0.003 6 0 "[ . 1 . 2 . 3]" 1
650 1 63 ASP H 1 65 ILE MD 6.150 . 6.150 4.892 4.258 5.513 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 64 GLU HA 1 65 ILE H 3.560 . 3.560 2.081 2.026 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 64 GLU H 1 64 GLU QG 4.110 . 4.110 2.327 1.948 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 64 GLU H 1 64 GLU HG3 3.810 . 3.810 2.968 2.666 3.825 0.015 12 0 "[ . 1 . 2 . 3]" 1
654 1 64 GLU H 1 64 GLU HG2 3.810 . 3.810 2.658 1.994 3.836 0.026 11 0 "[ . 1 . 2 . 3]" 1
655 1 64 GLU H 1 65 ILE QG 5.050 . 5.050 4.678 4.379 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 64 GLU H 1 65 ILE H 4.480 . 4.480 4.363 4.181 4.482 0.002 26 0 "[ . 1 . 2 . 3]" 1
657 1 65 ILE MD 1 66 THR H 5.210 . 5.210 3.857 3.425 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 65 ILE MG 1 66 THR H 4.820 . 4.820 2.702 2.488 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 65 ILE H 1 65 ILE HB 3.430 . 3.430 2.601 2.500 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 65 ILE H 1 65 ILE MD 5.460 . 5.460 3.595 3.374 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 65 ILE H 1 65 ILE QG 4.700 . 4.700 2.691 2.476 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 65 ILE H 1 65 ILE HG12 4.370 . 4.370 2.768 2.505 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 66 THR HA 1 67 VAL HB 4.420 . 4.420 4.437 4.297 4.460 0.040 20 0 "[ . 1 . 2 . 3]" 1
664 1 66 THR HA 1 67 VAL H 3.500 . 3.500 2.069 2.013 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 66 THR HB 1 67 VAL H 4.870 . 4.870 3.915 3.175 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 66 THR MG 1 67 VAL H 5.390 . 5.390 3.996 3.844 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 66 THR H 1 66 THR HB 3.940 . 3.940 3.088 2.734 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 67 VAL QG 1 68 ASN H 6.040 . 6.040 2.740 2.475 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 67 VAL QG 1 69 VAL H 7.070 . 7.070 4.221 3.960 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 67 VAL H 1 67 VAL HB 3.910 . 3.910 2.570 2.441 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 68 ASN HA 1 68 ASN QD 4.450 . 4.450 3.701 2.518 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 68 ASN HA 1 69 VAL H 3.200 . 3.200 2.099 2.021 2.162 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 68 ASN H 1 68 ASN QD 4.600 . 4.600 2.492 2.300 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 69 VAL QG 1 70 SER HA 7.560 . 7.560 3.744 3.323 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 69 VAL QG 1 70 SER QB 7.380 . 7.380 4.013 3.698 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 69 VAL QG 1 70 SER H 5.650 . 5.650 2.427 2.109 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 69 VAL QG 1 71 THR H 6.850 . 6.850 4.058 3.703 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 69 VAL MG1 1 70 SER H 5.330 . 5.330 3.293 2.358 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 69 VAL MG2 1 70 SER H 5.330 . 5.330 3.071 2.124 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 69 VAL H 1 69 VAL HB 3.650 . 3.650 2.948 2.535 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 69 VAL H 1 70 SER H 5.050 . 5.050 4.362 4.230 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 70 SER HA 1 71 THR H 3.400 . 3.400 2.166 1.836 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 70 SER HA 1 72 GLY H 5.500 . 5.500 5.431 5.229 5.689 0.189 29 0 "[ . 1 . 2 . 3]" 1
684 1 70 SER QB 1 71 THR H 4.580 . 4.580 3.311 3.069 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 70 SER HB3 1 71 THR H 4.550 . 4.550 3.870 3.167 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 70 SER HB2 1 71 THR H 4.550 . 4.550 3.791 3.191 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 71 THR H 1 72 GLY H 4.190 . 4.190 4.039 3.946 4.221 0.031 29 0 "[ . 1 . 2 . 3]" 1
688 1 72 GLY H 1 73 PRO QD 4.890 . 4.890 3.625 2.807 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 73 PRO HA 1 74 GLU H 3.310 . 3.310 2.206 2.094 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 74 GLU HA 1 75 GLN H 3.310 . 3.310 2.195 2.048 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 74 GLU QB 1 75 GLN H 3.350 . 3.350 3.012 2.675 3.403 0.053 14 0 "[ . 1 . 2 . 3]" 1
692 1 74 GLU QB 1 129 ILE MD 4.530 . 4.530 3.290 2.014 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 74 GLU QB 1 129 ILE H 4.700 . 4.700 3.986 3.680 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 74 GLU QG 1 75 GLN H 4.560 . 4.560 3.863 2.469 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 74 GLU H 1 74 GLU QB 2.930 . 2.930 2.169 1.970 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 74 GLU H 1 74 GLU HB3 3.520 . 3.520 3.341 2.290 3.591 0.071 26 0 "[ . 1 . 2 . 3]" 1
697 1 74 GLU H 1 74 GLU HB2 3.520 . 3.520 2.208 1.997 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 74 GLU H 1 74 GLU QG 4.320 . 4.320 3.120 2.474 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 74 GLU H 1 74 GLU HG3 4.250 . 4.250 3.988 2.802 4.335 0.085 5 0 "[ . 1 . 2 . 3]" 1
700 1 74 GLU H 1 74 GLU HG2 4.250 . 4.250 3.351 2.522 4.372 0.122 14 0 "[ . 1 . 2 . 3]" 1
701 1 74 GLU H 1 75 GLN H 4.670 . 4.670 4.522 4.407 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 74 GLU H 1 129 ILE HB 4.580 . 4.580 4.127 3.391 4.633 0.053 3 0 "[ . 1 . 2 . 3]" 1
703 1 74 GLU H 1 129 ILE MD 6.420 . 6.420 5.151 3.931 6.199 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 74 GLU H 1 129 ILE QG 5.520 . 5.520 4.310 3.041 5.551 0.031 16 0 "[ . 1 . 2 . 3]" 1
705 1 74 GLU H 1 129 ILE H 5.310 . 5.310 4.329 3.722 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 75 GLN HA 1 75 GLN QE 4.110 . 4.110 4.025 3.853 4.201 0.091 3 0 "[ . 1 . 2 . 3]" 1
707 1 75 GLN HA 1 76 ARG H 3.580 . 3.580 2.225 2.087 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 75 GLN QB 1 76 ARG H 4.720 . 4.720 2.764 2.441 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 75 GLN QB 1 126 THR MG 5.360 . 5.360 1.896 1.801 2.115 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 75 GLN QE 1 126 THR HB 4.160 . 4.160 4.021 3.284 4.200 0.040 20 0 "[ . 1 . 2 . 3]" 1
711 1 75 GLN QE 1 126 THR MG 5.080 . 5.080 3.668 3.062 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 75 GLN QE 1 127 SER QB 6.010 . 6.010 4.340 3.988 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 75 GLN QE 1 128 ALA HA 4.360 . 4.360 3.480 3.059 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 75 GLN QE 1 128 ALA MB 4.410 . 4.410 2.811 2.397 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 75 GLN QE 1 128 ALA H 3.500 . 3.500 2.588 2.302 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 75 GLN HE21 1 126 THR HB 4.740 . 4.740 4.650 3.410 4.792 0.052 3 0 "[ . 1 . 2 . 3]" 1
717 1 75 GLN HE21 1 127 SER HA 4.060 . 4.060 2.764 2.392 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 75 GLN HE21 1 128 ALA MB 5.240 . 5.240 2.876 2.428 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 75 GLN HE21 1 128 ALA H 4.120 . 4.120 2.618 2.319 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 75 GLN HE22 1 126 THR HB 4.740 . 4.740 4.421 3.730 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 75 GLN HE22 1 127 SER HA 4.060 . 4.060 3.801 3.353 4.089 0.029 20 0 "[ . 1 . 2 . 3]" 1
722 1 75 GLN HE22 1 128 ALA MB 5.240 . 5.240 4.025 3.594 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 75 GLN HE22 1 128 ALA H 4.120 . 4.120 4.126 3.905 4.190 0.070 11 0 "[ . 1 . 2 . 3]" 1
724 1 75 GLN QE 1 75 GLN QG 3.050 . 3.050 2.193 2.014 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 75 GLN QG 1 76 ARG H 4.190 . 4.190 4.073 3.841 4.197 0.007 6 0 "[ . 1 . 2 . 3]" 1
726 1 75 GLN QG 1 126 THR MG 5.330 . 5.330 3.784 3.609 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 75 GLN QG 1 128 ALA H 3.770 . 3.770 3.205 2.686 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 75 GLN HG3 1 128 ALA MB 5.120 . 5.120 3.410 3.106 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 75 GLN HG2 1 128 ALA MB 5.120 . 5.120 2.213 1.988 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 75 GLN H 1 75 GLN HG3 3.980 . 3.980 2.996 2.732 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 75 GLN H 1 75 GLN HG2 3.980 . 3.980 3.899 3.718 4.009 0.029 20 0 "[ . 1 . 2 . 3]" 1
732 1 76 ARG HA 1 76 ARG QD 4.600 . 4.600 2.383 1.914 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 76 ARG HA 1 76 ARG HD3 4.340 . 4.340 3.208 1.951 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 76 ARG HA 1 76 ARG HD2 4.340 . 4.340 2.687 1.928 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 76 ARG HA 1 77 GLU QB 5.340 . 5.340 4.408 3.928 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 76 ARG HA 1 77 GLU H 3.240 . 3.240 2.326 2.178 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 76 ARG HA 1 98 PHE HZ 5.110 . 5.110 4.631 4.292 5.126 0.016 25 0 "[ . 1 . 2 . 3]" 1
738 1 76 ARG QB 1 98 PHE QE 6.600 . 6.600 2.584 1.964 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 76 ARG QB 1 98 PHE HZ 5.150 . 5.150 2.648 2.232 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 76 ARG QB 1 127 SER H 5.520 . 5.520 4.384 4.111 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 76 ARG QD 1 77 GLU H 5.070 . 5.070 3.225 1.931 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 76 ARG QD 1 129 ILE MD 5.900 . 5.900 3.608 2.178 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 76 ARG HD3 1 77 GLU H 4.960 . 4.960 4.138 2.351 5.055 0.095 16 0 "[ . 1 . 2 . 3]" 1
744 1 76 ARG HD3 1 129 ILE MD 5.720 . 5.720 4.101 2.208 5.713 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 76 ARG HD2 1 77 GLU H 4.960 . 4.960 3.649 1.938 5.022 0.062 21 0 "[ . 1 . 2 . 3]" 1
746 1 76 ARG HD2 1 129 ILE MD 5.720 . 5.720 4.350 3.102 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 76 ARG HE 1 77 GLU H 4.990 . 4.990 4.151 2.077 5.106 0.116 2 0 "[ . 1 . 2 . 3]" 1
748 1 76 ARG QG 1 77 GLU H 4.560 . 4.560 2.552 1.784 4.286 0.016 2 0 "[ . 1 . 2 . 3]" 1
749 1 76 ARG QG 1 98 PHE HZ 6.000 . 6.000 4.240 3.375 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 76 ARG H 1 76 ARG QD 5.590 . 5.590 4.438 3.676 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 76 ARG H 1 77 GLU H 4.480 . 4.480 4.315 4.218 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 76 ARG H 1 98 PHE HZ 4.310 . 4.310 3.030 2.584 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 76 ARG H 1 126 THR HA 4.060 . 4.060 4.075 3.963 4.127 0.067 20 0 "[ . 1 . 2 . 3]" 1
754 1 76 ARG H 1 126 THR MG 5.180 . 5.180 2.960 2.639 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 76 ARG H 1 127 SER H 3.640 . 3.640 2.954 2.717 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 76 ARG H 1 129 ILE MD 4.970 . 4.970 3.315 2.675 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 77 GLU HA 1 78 ILE H 3.640 . 3.640 2.182 2.121 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 77 GLU QB 1 78 ILE H 4.630 . 4.630 2.987 2.767 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 77 GLU QB 1 126 THR HA 5.950 . 5.950 3.446 2.727 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 77 GLU QB 1 126 THR MG 6.270 . 6.270 3.449 2.755 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 77 GLU QG 1 78 ILE H 5.450 . 5.450 3.987 2.610 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 77 GLU HG3 1 78 ILE H 5.320 . 5.320 4.655 3.008 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 77 GLU HG2 1 78 ILE H 5.320 . 5.320 4.479 2.864 5.274 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 77 GLU H 1 77 GLU HB3 3.760 . 3.760 3.059 2.338 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 77 GLU H 1 77 GLU HB2 3.760 . 3.760 3.168 2.358 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 77 GLU H 1 77 GLU QG 4.550 . 4.550 2.544 1.807 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 77 GLU H 1 77 GLU HG3 4.430 . 4.430 3.243 2.269 4.461 0.031 25 0 "[ . 1 . 2 . 3]" 1
768 1 77 GLU H 1 77 GLU HG2 4.430 . 4.430 2.988 1.822 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 77 GLU H 1 98 PHE HZ 5.450 . 5.450 4.680 4.212 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 77 GLU H 1 126 THR MG 5.420 . 5.420 3.239 2.864 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 78 ILE HA 1 98 PHE QE 6.430 . 6.430 3.028 2.343 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 78 ILE HB 1 123 ALA H 4.690 . 4.690 4.417 3.899 4.731 0.041 19 0 "[ . 1 . 2 . 3]" 1
773 1 78 ILE HB 1 124 ASN H 4.810 . 4.810 4.460 4.004 4.822 0.012 14 0 "[ . 1 . 2 . 3]" 1
774 1 78 ILE MD 1 98 PHE QE 7.470 . 7.470 3.457 2.780 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 78 ILE MD 1 98 PHE HZ 5.250 . 5.250 3.323 2.368 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 78 ILE MD 1 123 ALA HA 4.690 . 4.690 3.321 2.141 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 78 ILE MD 1 125 GLN H 5.980 . 5.980 4.049 3.154 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 78 ILE MD 1 126 THR HA 5.430 . 5.430 4.383 2.862 5.464 0.034 15 0 "[ . 1 . 2 . 3]" 1
779 1 78 ILE MD 1 127 SER H 5.190 . 5.190 3.551 2.420 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 78 ILE QG 1 98 PHE QE 7.160 . 7.160 3.034 2.488 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 78 ILE QG 1 98 PHE HZ 5.010 . 5.010 3.119 2.478 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 78 ILE QG 1 127 SER H 4.850 . 4.850 4.022 2.974 4.870 0.020 10 0 "[ . 1 . 2 . 3]" 1
783 1 78 ILE MG 1 79 PRO HA 5.410 . 5.410 4.228 4.020 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 78 ILE MG 1 79 PRO QD 5.940 . 5.940 2.440 2.139 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 78 ILE MG 1 80 ASP HA 5.460 . 5.460 4.010 3.617 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 78 ILE MG 1 98 PHE QE 7.880 . 7.880 4.301 3.775 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 78 ILE MG 1 98 PHE HZ 5.980 . 5.980 5.172 4.454 5.709 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 78 ILE MG 1 123 ALA HA 5.390 . 5.390 2.640 2.154 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 78 ILE MG 1 123 ALA H 5.570 . 5.570 4.313 3.496 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 78 ILE MG 1 124 ASN H 6.020 . 6.020 5.177 4.628 5.735 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 78 ILE H 1 78 ILE HB 3.560 . 3.560 2.458 2.372 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 78 ILE H 1 78 ILE MD 5.240 . 5.240 2.918 1.826 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 78 ILE H 1 78 ILE QG 4.750 . 4.750 2.805 2.153 3.473 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 78 ILE H 1 98 PHE QE 6.880 . 6.880 4.540 4.037 5.146 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 78 ILE H 1 123 ALA HA 4.520 . 4.520 3.657 2.880 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 78 ILE H 1 124 ASN H 5.210 . 5.210 5.257 5.170 5.307 0.097 25 0 "[ . 1 . 2 . 3]" 1
797 1 78 ILE H 1 125 GLN H 4.630 . 4.630 3.883 3.563 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 78 ILE H 1 126 THR HA 3.790 . 3.790 3.685 3.160 3.862 0.072 1 0 "[ . 1 . 2 . 3]" 1
799 1 78 ILE H 1 127 SER H 4.590 . 4.590 4.186 3.834 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 79 PRO HA 1 80 ASP H 3.140 . 3.140 2.196 2.114 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 79 PRO QB 1 80 ASP HA 4.510 . 4.510 4.414 4.085 4.551 0.041 27 0 "[ . 1 . 2 . 3]" 1
802 1 79 PRO QB 1 80 ASP H 3.430 . 3.430 3.095 2.897 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 79 PRO QB 1 81 VAL H 4.260 . 4.260 3.048 2.377 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 79 PRO HB3 1 80 ASP H 3.910 . 3.910 3.544 3.163 3.923 0.013 19 0 "[ . 1 . 2 . 3]" 1
805 1 79 PRO HB2 1 80 ASP H 3.910 . 3.910 3.515 3.026 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 79 PRO QD 1 93 LEU QD 5.640 . 5.640 2.334 1.848 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 79 PRO QD 1 98 PHE QE 6.900 . 6.900 3.426 2.298 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 79 PRO QG 1 93 LEU HA 4.690 . 4.690 3.693 2.650 4.724 0.034 19 0 "[ . 1 . 2 . 3]" 1
809 1 79 PRO QG 1 93 LEU H 5.700 . 5.700 4.195 3.048 5.438 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 80 ASP HA 1 82 SER H 3.800 . 3.800 3.070 2.252 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 80 ASP HA 1 123 ALA MB 4.370 . 4.370 2.558 1.928 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 80 ASP H 1 80 ASP HB3 3.840 . 3.840 2.637 2.270 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 80 ASP H 1 80 ASP HB2 3.840 . 3.840 3.228 2.591 3.713 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 80 ASP H 1 81 VAL H 4.600 . 4.600 2.862 2.216 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 80 ASP H 1 123 ALA MB 4.950 . 4.950 3.835 3.235 4.973 0.023 20 0 "[ . 1 . 2 . 3]" 1
816 1 81 VAL HA 1 83 THR H 4.230 . 4.230 3.946 3.387 4.237 0.007 8 0 "[ . 1 . 2 . 3]" 1
817 1 81 VAL HA 1 84 LEU H 4.200 . 4.200 3.683 3.401 4.056 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 81 VAL QG 1 82 SER H 5.710 . 5.710 2.904 2.586 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 81 VAL QG 1 88 GLU H 7.460 . 7.460 5.258 4.033 7.165 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 81 VAL QG 1 89 ALA H 6.110 . 6.110 4.359 2.881 5.868 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 81 VAL QG 1 91 LYS H 7.560 . 7.560 5.935 4.809 7.054 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 81 VAL QG 1 92 LYS H 6.590 . 6.590 4.506 3.282 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 81 VAL H 1 81 VAL HB 4.070 . 4.070 3.037 2.397 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 81 VAL H 1 82 SER HA 4.930 . 4.930 4.632 3.835 4.986 0.056 29 0 "[ . 1 . 2 . 3]" 1
825 1 81 VAL H 1 82 SER H 3.740 . 3.740 2.285 1.735 2.829 0.065 15 0 "[ . 1 . 2 . 3]" 1
826 1 81 VAL H 1 123 ALA MB 5.730 . 5.730 4.696 3.379 5.734 0.004 6 0 "[ . 1 . 2 . 3]" 1
827 1 82 SER HA 1 84 LEU H 4.060 . 4.060 3.864 3.576 4.074 0.014 6 0 "[ . 1 . 2 . 3]" 1
828 1 82 SER HA 1 89 ALA MB 5.160 . 5.160 2.039 1.786 2.581 0.014 14 0 "[ . 1 . 2 . 3]" 1
829 1 82 SER HA 1 116 VAL HB 4.540 . 4.540 4.327 3.499 4.667 0.127 27 0 "[ . 1 . 2 . 3]" 1
830 1 82 SER HA 1 116 VAL QG 4.280 . 4.280 3.600 2.959 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 82 SER QB 1 89 ALA MB 5.680 . 5.680 2.351 2.004 3.126 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 82 SER QB 1 116 VAL QG 6.180 . 6.180 2.614 1.935 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 82 SER H 1 83 THR H 4.640 . 4.640 2.699 2.320 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 82 SER H 1 89 ALA MB 5.340 . 5.340 4.211 3.451 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 83 THR HA 1 116 VAL HA 4.370 . 4.370 4.365 4.250 4.436 0.066 3 0 "[ . 1 . 2 . 3]" 1
836 1 83 THR HA 1 116 VAL HB 4.230 . 4.230 2.113 1.870 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 83 THR HB 1 84 LEU HA 4.680 . 4.680 4.292 3.947 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 83 THR HB 1 84 LEU H 4.580 . 4.580 3.560 2.747 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 83 THR HB 1 116 VAL HB 4.980 . 4.980 4.764 4.145 5.047 0.067 26 0 "[ . 1 . 2 . 3]" 1
840 1 83 THR H 1 83 THR HB 3.850 . 3.850 3.062 2.366 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 83 THR H 1 84 LEU QD 6.980 . 6.980 4.412 2.610 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 83 THR H 1 84 LEU HG 4.680 . 4.680 4.115 3.835 4.804 0.124 18 0 "[ . 1 . 2 . 3]" 1
843 1 83 THR H 1 84 LEU H 4.300 . 4.300 2.665 2.482 2.819 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 83 THR H 1 116 VAL HB 4.620 . 4.620 3.946 3.479 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 83 THR H 1 116 VAL QG 6.090 . 6.090 4.033 3.607 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 84 LEU HA 1 84 LEU HG 3.620 . 3.620 3.170 2.516 3.666 0.046 14 0 "[ . 1 . 2 . 3]" 1
847 1 84 LEU QB 1 85 THR H 5.470 . 5.470 2.619 2.387 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 84 LEU QD 1 85 THR H 6.420 . 6.420 4.031 2.287 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 84 LEU H 1 84 LEU HG 3.510 . 3.510 2.491 2.077 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 84 LEU H 1 85 THR H 4.480 . 4.480 2.500 2.297 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 84 LEU H 1 89 ALA MB 6.050 . 6.050 4.837 4.399 5.514 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 84 LEU H 1 116 VAL HB 4.700 . 4.700 4.407 3.943 4.717 0.017 28 0 "[ . 1 . 2 . 3]" 1
853 1 84 LEU H 1 116 VAL H 4.920 . 4.920 4.826 4.385 5.008 0.088 1 0 "[ . 1 . 2 . 3]" 1
854 1 85 THR MG 1 86 TYR H 5.060 . 5.060 2.758 2.274 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 85 THR MG 1 88 GLU QB 5.470 . 5.470 3.072 2.125 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 85 THR MG 1 88 GLU QG 5.830 . 5.830 3.444 1.886 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 85 THR MG 1 88 GLU H 5.710 . 5.710 2.262 1.794 4.127 0.006 10 0 "[ . 1 . 2 . 3]" 1
858 1 85 THR H 1 88 GLU QG 5.790 . 5.790 4.511 3.504 5.809 0.019 9 0 "[ . 1 . 2 . 3]" 1
859 1 86 TYR HA 1 89 ALA H 4.360 . 4.360 3.446 3.225 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 86 TYR HA 1 137 VAL QG 5.170 . 5.170 4.046 3.241 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 86 TYR QB 1 89 ALA H 6.150 . 6.150 4.993 4.859 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 86 TYR HB3 1 87 ALA H 4.370 . 4.370 2.603 2.446 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 86 TYR HB2 1 87 ALA H 4.370 . 4.370 3.939 3.804 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 86 TYR QD 1 87 ALA HA 6.660 . 6.660 3.549 3.114 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 86 TYR QD 1 87 ALA H 6.540 . 6.540 3.302 2.880 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 86 TYR QD 1 89 ALA H 7.320 . 7.320 5.333 4.810 5.535 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 86 TYR QD 1 90 VAL QG 8.440 . 8.440 3.367 3.149 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 86 TYR QD 1 103 GLN QG 8.020 . 8.020 4.574 3.339 5.688 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 86 TYR QD 1 104 ALA H 7.640 . 7.640 6.666 5.438 7.454 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 86 TYR QD 1 135 ILE HB 7.640 . 7.640 5.776 5.097 6.960 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 86 TYR QD 1 135 ILE MD 7.040 . 7.040 2.161 1.851 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 86 TYR QD 1 137 VAL HB 7.640 . 7.640 5.230 4.837 5.986 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 86 TYR QD 1 137 VAL QG 6.870 . 6.870 2.409 2.114 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 86 TYR QD 1 137 VAL MG1 7.890 . 7.890 3.689 2.926 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 86 TYR QD 1 137 VAL MG2 7.890 . 7.890 2.447 2.165 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 86 TYR QE 1 90 VAL QG 7.960 . 7.960 2.906 2.594 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 86 TYR QE 1 90 VAL MG1 7.930 . 7.930 4.311 2.676 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 86 TYR QE 1 90 VAL MG2 7.930 . 7.930 3.074 2.614 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 86 TYR QE 1 103 GLN HA 6.310 . 6.310 4.720 3.323 6.072 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 86 TYR QE 1 103 GLN QB 7.150 . 7.150 3.934 2.617 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 86 TYR QE 1 103 GLN HB3 7.140 . 7.140 5.319 4.143 6.642 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 86 TYR QE 1 103 GLN HB2 7.140 . 7.140 4.069 2.643 5.693 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 86 TYR QE 1 103 GLN QG 6.830 . 6.830 3.149 2.449 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 86 TYR QE 1 104 ALA H 6.240 . 6.240 5.607 4.623 6.224 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 86 TYR QE 1 135 ILE MD 7.060 . 7.060 2.414 2.026 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 86 TYR QE 1 135 ILE H 7.510 . 7.510 6.029 5.206 7.452 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 86 TYR H 1 86 TYR HB3 4.080 . 4.080 2.406 2.263 2.527 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 86 TYR H 1 86 TYR HB2 4.080 . 4.080 2.649 2.446 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 86 TYR H 1 87 ALA H 4.440 . 4.440 2.792 2.632 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 87 ALA HA 1 90 VAL QG 5.680 . 5.680 3.055 2.024 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 87 ALA HA 1 90 VAL MG1 5.210 . 5.210 4.407 2.141 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 87 ALA HA 1 90 VAL MG2 5.210 . 5.210 3.209 2.031 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 87 ALA HA 1 90 VAL H 4.000 . 4.000 3.683 3.346 4.003 0.003 15 0 "[ . 1 . 2 . 3]" 1
894 1 87 ALA MB 1 88 GLU QB 5.830 . 5.830 3.994 3.499 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 87 ALA MB 1 88 GLU H 5.130 . 5.130 2.485 2.381 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 87 ALA MB 1 89 ALA H 5.610 . 5.610 4.455 4.368 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 87 ALA H 1 88 GLU H 4.740 . 4.740 2.729 2.557 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 88 GLU HA 1 88 GLU HG3 3.940 . 3.940 3.236 2.407 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 88 GLU HA 1 88 GLU HG2 3.940 . 3.940 3.268 2.855 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 88 GLU HA 1 91 LYS H 3.780 . 3.780 3.545 3.174 3.847 0.067 14 0 "[ . 1 . 2 . 3]" 1
901 1 88 GLU QG 1 89 ALA H 5.430 . 5.430 3.994 3.531 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 88 GLU H 1 89 ALA H 3.820 . 3.820 2.582 2.486 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 89 ALA MB 1 90 VAL H 4.810 . 4.810 2.294 2.187 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 89 ALA H 1 90 VAL QG 6.560 . 6.560 4.040 3.703 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 89 ALA H 1 90 VAL H 3.680 . 3.680 2.736 2.669 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 89 ALA H 1 91 LYS H 4.380 . 4.380 4.178 4.032 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 90 VAL HA 1 92 LYS H 4.710 . 4.710 4.647 4.493 4.774 0.064 1 0 "[ . 1 . 2 . 3]" 1
908 1 90 VAL HA 1 93 LEU QB 5.450 . 5.450 2.988 2.647 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 90 VAL HA 1 93 LEU QD 4.320 . 4.320 3.524 3.136 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 90 VAL HA 1 93 LEU MD1 5.240 . 5.240 4.248 3.567 5.251 0.011 28 0 "[ . 1 . 2 . 3]" 1
911 1 90 VAL HA 1 93 LEU MD2 5.240 . 5.240 3.858 3.325 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 90 VAL HA 1 93 LEU H 4.310 . 4.310 3.761 3.486 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 90 VAL HB 1 91 LYS H 3.800 . 3.800 2.806 2.471 3.869 0.069 2 0 "[ . 1 . 2 . 3]" 1
914 1 90 VAL QG 1 91 LYS HA 6.410 . 6.410 3.397 3.158 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 90 VAL QG 1 91 LYS QB 7.390 . 7.390 4.344 3.569 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 90 VAL QG 1 91 LYS QG 7.000 . 7.000 3.514 2.326 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 90 VAL QG 1 91 LYS H 5.730 . 5.730 3.052 2.175 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 90 VAL QG 1 93 LEU QD 7.400 . 7.400 3.917 3.555 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 90 VAL QG 1 101 PHE QD 8.300 . 8.300 3.706 2.855 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 90 VAL QG 1 101 PHE QE 8.550 . 8.550 3.330 2.460 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 90 VAL MG1 1 91 LYS H 5.320 . 5.320 3.496 2.218 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 90 VAL MG1 1 101 PHE QD 7.880 . 7.880 4.087 2.981 5.587 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 90 VAL MG1 1 101 PHE QE 8.100 . 8.100 3.544 2.665 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 90 VAL MG2 1 91 LYS H 5.320 . 5.320 3.620 2.183 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 90 VAL MG2 1 101 PHE QD 7.880 . 7.880 4.489 3.321 6.649 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 90 VAL MG2 1 101 PHE QE 8.100 . 8.100 4.310 2.889 5.920 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 90 VAL H 1 90 VAL HB 3.690 . 3.690 2.724 2.422 3.696 0.006 23 0 "[ . 1 . 2 . 3]" 1
928 1 90 VAL H 1 91 LYS H 4.050 . 4.050 2.722 2.654 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 90 VAL H 1 93 LEU QD 5.640 . 5.640 4.504 4.140 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 91 LYS HA 1 91 LYS QD 4.350 . 4.350 2.389 1.891 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 91 LYS HA 1 91 LYS QE 4.450 . 4.450 3.315 1.807 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 91 LYS HA 1 91 LYS HG3 3.820 . 3.820 3.718 2.976 3.862 0.042 26 0 "[ . 1 . 2 . 3]" 1
933 1 91 LYS HA 1 91 LYS HG2 3.820 . 3.820 3.024 2.372 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 91 LYS HA 1 92 LYS HA 4.790 . 4.790 4.688 4.537 4.799 0.009 9 0 "[ . 1 . 2 . 3]" 1
935 1 91 LYS HA 1 94 THR MG 5.380 . 5.380 4.264 3.891 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 91 LYS QB 1 92 LYS H 5.340 . 5.340 2.511 2.230 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 91 LYS QG 1 92 LYS H 6.220 . 6.220 4.063 3.734 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 91 LYS H 1 91 LYS HB3 3.850 . 3.850 3.619 3.575 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 91 LYS H 1 91 LYS HB2 3.850 . 3.850 2.505 2.364 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 91 LYS H 1 91 LYS QG 4.390 . 4.390 2.312 2.031 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 91 LYS H 1 91 LYS HG3 4.010 . 4.010 3.606 2.283 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 91 LYS H 1 91 LYS HG2 4.010 . 4.010 2.414 2.043 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 91 LYS H 1 92 LYS H 3.850 . 3.850 2.708 2.596 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 91 LYS H 1 93 LEU QD 6.430 . 6.430 5.170 4.840 5.858 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 92 LYS HA 1 92 LYS QD 4.820 . 4.820 2.241 1.888 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 92 LYS HA 1 95 ALA MB 5.260 . 5.260 2.619 2.267 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 92 LYS HA 1 95 ALA H 4.070 . 4.070 3.430 3.024 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 92 LYS QB 1 95 ALA H 6.220 . 6.220 4.884 4.699 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 92 LYS H 1 92 LYS QD 6.220 . 6.220 3.487 2.350 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 92 LYS H 1 92 LYS QG 4.470 . 4.470 2.530 2.197 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 92 LYS H 1 92 LYS HG3 4.120 . 4.120 3.712 2.525 4.134 0.014 20 0 "[ . 1 . 2 . 3]" 1
952 1 92 LYS H 1 92 LYS HG2 4.120 . 4.120 2.689 2.215 4.139 0.019 20 0 "[ . 1 . 2 . 3]" 1
953 1 92 LYS H 1 93 LEU QD 5.940 . 5.940 4.277 3.910 5.507 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 92 LYS H 1 93 LEU H 3.830 . 3.830 2.691 2.610 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 92 LYS H 1 94 THR H 4.660 . 4.660 4.146 3.940 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 92 LYS H 1 95 ALA MB 6.530 . 6.530 4.692 4.493 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 93 LEU HA 1 96 ALA MB 4.740 . 4.740 2.473 2.013 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 93 LEU HA 1 96 ALA H 4.020 . 4.020 3.240 2.925 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 93 LEU HA 1 98 PHE QD 6.340 . 6.340 2.735 2.204 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 93 LEU QB 1 94 THR H 5.180 . 5.180 2.762 2.475 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 93 LEU QD 1 98 PHE QD 7.040 . 7.040 3.267 2.225 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 93 LEU QD 1 98 PHE QE 7.130 . 7.130 4.006 3.039 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 93 LEU QD 1 98 PHE H 6.080 . 6.080 4.784 3.852 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 93 LEU QD 1 101 PHE QD 7.260 . 7.260 3.245 1.992 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 93 LEU QD 1 101 PHE QE 6.530 . 6.530 2.101 1.978 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 93 LEU MD1 1 98 PHE QE 8.200 . 8.200 4.484 3.061 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 93 LEU MD1 1 101 PHE QE 7.780 . 7.780 3.907 3.395 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 93 LEU MD2 1 98 PHE QE 8.200 . 8.200 4.762 3.941 5.760 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 93 LEU MD2 1 101 PHE QE 7.780 . 7.780 2.111 1.983 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 93 LEU HG 1 98 PHE QD 6.390 . 6.390 2.945 2.504 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 93 LEU HG 1 98 PHE QE 6.710 . 6.710 4.069 3.032 5.599 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 93 LEU HG 1 98 PHE H 5.020 . 5.020 4.941 4.033 5.087 0.067 21 0 "[ . 1 . 2 . 3]" 1
973 1 93 LEU H 1 93 LEU QD 4.410 . 4.410 2.589 2.317 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 93 LEU H 1 93 LEU MD1 5.410 . 5.410 2.665 2.332 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 93 LEU H 1 93 LEU MD2 5.410 . 5.410 4.020 3.825 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 93 LEU H 1 94 THR H 4.300 . 4.300 2.660 2.549 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 93 LEU H 1 95 ALA MB 6.120 . 6.120 4.826 4.587 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 93 LEU H 1 95 ALA H 4.600 . 4.600 4.114 3.980 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 93 LEU H 1 96 ALA MB 6.240 . 6.240 4.618 4.269 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 93 LEU H 1 101 PHE QE 7.430 . 7.430 4.719 4.039 5.236 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 94 THR HA 1 96 ALA MB 5.770 . 5.770 4.864 4.618 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 94 THR HA 1 96 ALA H 4.370 . 4.370 4.077 3.894 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 94 THR HB 1 95 ALA H 3.870 . 3.870 2.643 2.448 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 94 THR MG 1 95 ALA HA 5.330 . 5.330 3.657 3.465 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 94 THR MG 1 95 ALA H 4.740 . 4.740 3.568 3.444 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 94 THR MG 1 96 ALA H 5.680 . 5.680 4.905 4.700 5.062 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 94 THR H 1 94 THR HB 4.110 . 4.110 2.581 2.465 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 94 THR H 1 95 ALA MB 5.400 . 5.400 4.313 4.211 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 94 THR H 1 95 ALA H 3.990 . 3.990 2.640 2.579 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 94 THR H 1 96 ALA H 4.640 . 4.640 3.910 3.740 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 95 ALA HA 1 96 ALA H 3.520 . 3.520 3.455 3.393 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 95 ALA MB 1 96 ALA H 4.290 . 4.290 2.826 2.629 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 95 ALA MB 1 97 GLY H 5.510 . 5.510 4.310 4.166 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 95 ALA H 1 96 ALA MB 5.200 . 5.200 4.273 4.113 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 95 ALA H 1 96 ALA H 3.370 . 3.370 2.566 2.467 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 95 ALA H 1 97 GLY H 4.460 . 4.460 3.942 3.787 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 96 ALA HA 1 97 GLY QA 4.640 . 4.640 4.119 4.098 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 96 ALA HA 1 98 PHE QE 7.240 . 7.240 5.366 4.761 5.928 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 96 ALA MB 1 97 GLY QA 5.180 . 5.180 3.924 3.855 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 96 ALA MB 1 97 GLY H 4.910 . 4.910 3.101 3.025 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 96 ALA MB 1 98 PHE QD 6.670 . 6.670 2.189 1.985 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 96 ALA MB 1 98 PHE QE 6.950 . 6.950 2.719 2.386 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 96 ALA MB 1 98 PHE H 4.900 . 4.900 2.989 2.827 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 96 ALA MB 1 129 ILE MD 7.220 . 7.220 3.988 3.177 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 96 ALA H 1 97 GLY H 3.420 . 3.420 2.429 2.328 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 97 GLY H 1 98 PHE H 3.580 . 3.580 2.373 2.182 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 98 PHE HA 1 101 PHE QE 6.470 . 6.470 5.465 4.718 6.044 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 98 PHE HA 1 129 ILE MD 5.410 . 5.410 3.459 2.243 5.251 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 98 PHE QD 1 99 GLY H 6.340 . 6.340 4.224 3.582 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 98 PHE QD 1 100 ARG H 6.680 . 6.680 4.277 3.820 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 98 PHE QD 1 129 ILE HA 5.850 . 5.850 2.775 2.233 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 98 PHE QD 1 129 ILE MD 7.080 . 7.080 3.424 2.893 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 98 PHE QE 1 128 ALA HA 6.750 . 6.750 4.371 3.989 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 98 PHE QE 1 128 ALA H 6.880 . 6.880 4.385 3.915 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 98 PHE QE 1 129 ILE HA 6.020 . 6.020 3.131 2.578 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 98 PHE QE 1 129 ILE MD 6.810 . 6.810 3.129 2.667 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 98 PHE H 1 98 PHE QD 5.440 . 5.440 2.567 2.330 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 98 PHE H 1 98 PHE QE 6.790 . 6.790 4.396 4.185 4.725 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 98 PHE H 1 101 PHE QE 7.270 . 7.270 5.492 4.892 6.206 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 98 PHE HZ 1 126 THR HA 5.360 . 5.360 4.526 4.176 5.235 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 98 PHE HZ 1 127 SER H 4.380 . 4.380 3.033 2.587 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 98 PHE HZ 1 129 ILE MD 5.650 . 5.650 3.577 2.898 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 99 GLY QA 1 100 ARG QD 5.320 . 5.320 3.894 3.356 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 99 GLY QA 1 101 PHE QE 7.030 . 7.030 2.585 2.131 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 99 GLY HA3 1 101 PHE QE 6.850 . 6.850 4.248 3.558 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 99 GLY HA2 1 101 PHE QE 6.850 . 6.850 2.609 2.148 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 99 GLY H 1 100 ARG QG 4.040 . 4.040 3.109 2.561 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 99 GLY H 1 100 ARG H 3.610 . 3.610 2.265 1.798 2.852 0.002 28 0 "[ . 1 . 2 . 3]" 1
1029 1 99 GLY H 1 101 PHE QE 6.200 . 6.200 4.945 4.536 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 100 ARG QB 1 101 PHE H 4.690 . 4.690 3.446 3.383 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 100 ARG QD 1 101 PHE H 4.390 . 4.390 4.119 3.731 4.425 0.035 26 0 "[ . 1 . 2 . 3]" 1
1032 1 100 ARG H 1 100 ARG QD 4.520 . 4.520 3.664 3.260 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 100 ARG H 1 100 ARG QG 3.550 . 3.550 2.695 2.384 3.097 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 100 ARG H 1 101 PHE QD 6.800 . 6.800 4.265 3.735 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 100 ARG H 1 101 PHE QE 6.450 . 6.450 4.344 3.858 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 100 ARG H 1 101 PHE H 4.350 . 4.350 4.169 4.066 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 100 ARG H 1 132 VAL QG 7.510 . 7.510 4.845 4.491 5.169 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 100 ARG H 1 133 VAL QG 6.430 . 6.430 3.998 3.633 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 101 PHE HA 1 102 LYS HA 4.490 . 4.490 4.431 4.393 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 101 PHE HA 1 102 LYS H 3.390 . 3.390 2.171 2.044 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 101 PHE HA 1 133 VAL H 4.090 . 4.090 2.913 2.583 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 101 PHE HB3 1 102 LYS H 3.820 . 3.820 2.670 2.452 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 101 PHE HB2 1 102 LYS H 3.820 . 3.820 3.797 3.647 3.876 0.056 10 0 "[ . 1 . 2 . 3]" 1
1044 1 101 PHE QD 1 102 LYS H 6.560 . 6.560 3.679 3.286 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 101 PHE QD 1 133 VAL HB 6.430 . 6.430 3.040 2.324 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 101 PHE QD 1 133 VAL H 6.110 . 6.110 4.614 4.177 5.238 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 101 PHE H 1 101 PHE QB 3.090 . 3.090 2.636 2.494 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 101 PHE H 1 101 PHE HB3 3.890 . 3.890 3.790 3.696 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 101 PHE H 1 101 PHE HB2 3.890 . 3.890 2.689 2.535 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 101 PHE H 1 101 PHE QE 6.990 . 6.990 5.099 4.794 5.424 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 101 PHE H 1 132 VAL QG 5.740 . 5.740 3.422 2.989 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 101 PHE H 1 132 VAL MG1 5.780 . 5.780 3.605 3.029 5.793 0.013 25 0 "[ . 1 . 2 . 3]" 1
1053 1 101 PHE H 1 132 VAL MG2 5.780 . 5.780 4.689 3.047 5.148 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 102 LYS HA 1 103 GLN H 3.430 . 3.430 2.193 2.132 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 102 LYS QG 1 103 GLN H 4.440 . 4.440 3.082 2.486 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 102 LYS H 1 102 LYS HG3 5.500 . 5.500 4.602 4.290 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 102 LYS H 1 102 LYS HG2 5.500 . 5.500 4.730 4.363 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 102 LYS H 1 103 GLN H 4.510 . 4.510 4.086 3.950 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 102 LYS H 1 132 VAL HA 5.500 . 5.500 5.439 5.186 5.545 0.045 27 0 "[ . 1 . 2 . 3]" 1
1060 1 102 LYS H 1 132 VAL QG 5.860 . 5.860 3.349 3.132 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 102 LYS H 1 133 VAL HB 4.750 . 4.750 4.149 3.858 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 102 LYS H 1 133 VAL H 4.480 . 4.480 4.220 4.005 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 102 LYS H 1 134 ILE HA 4.080 . 4.080 2.774 2.538 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 102 LYS H 1 134 ILE QG 5.220 . 5.220 4.227 3.996 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 102 LYS H 1 135 ILE HB 4.610 . 4.610 4.581 4.442 4.658 0.048 26 0 "[ . 1 . 2 . 3]" 1
1066 1 102 LYS H 1 135 ILE H 4.130 . 4.130 3.217 3.016 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 103 GLN HA 1 104 ALA H 3.460 . 3.460 2.140 2.070 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 103 GLN HA 1 135 ILE H 4.620 . 4.620 2.957 2.666 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 103 GLN QB 1 104 ALA H 5.070 . 5.070 3.693 3.621 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 103 GLN QE 1 104 ALA H 5.660 . 5.660 4.891 4.478 5.426 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 103 GLN QG 1 104 ALA H 4.240 . 4.240 2.703 2.490 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 103 GLN HG3 1 104 ALA H 3.920 . 3.920 3.122 2.671 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 103 GLN HG2 1 104 ALA H 3.920 . 3.920 3.012 2.568 3.342 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 103 GLN H 1 104 ALA H 4.780 . 4.780 4.438 4.308 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 104 ALA HA 1 105 ASN QD 4.290 . 4.290 3.863 3.245 4.416 0.126 11 0 "[ . 1 . 2 . 3]" 1
1076 1 104 ALA HA 1 136 ILE HA 4.710 . 4.710 4.579 4.416 4.736 0.026 19 0 "[ . 1 . 2 . 3]" 1
1077 1 104 ALA MB 1 105 ASN H 4.140 . 4.140 2.598 2.221 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 104 ALA MB 1 136 ILE H 5.950 . 5.950 4.567 4.141 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 104 ALA MB 1 137 VAL H 5.570 . 5.570 3.980 3.704 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 104 ALA H 1 105 ASN H 4.390 . 4.390 4.349 4.236 4.409 0.019 7 0 "[ . 1 . 2 . 3]" 1
1081 1 104 ALA H 1 135 ILE MD 5.070 . 5.070 4.045 3.881 5.078 0.008 16 0 "[ . 1 . 2 . 3]" 1
1082 1 104 ALA H 1 135 ILE H 4.440 . 4.440 3.769 3.533 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 104 ALA H 1 136 ILE HA 4.170 . 4.170 2.834 2.533 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 104 ALA H 1 137 VAL H 4.180 . 4.180 3.612 3.409 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 105 ASN HA 1 105 ASN HD21 4.360 . 4.360 2.638 1.800 3.778 0.000 16 0 "[ . 1 . 2 . 3]" 1
1086 1 105 ASN HA 1 105 ASN HD22 4.360 . 4.360 3.806 3.440 4.365 0.005 27 0 "[ . 1 . 2 . 3]" 1
1087 1 105 ASN HA 1 106 SER H 3.310 . 3.310 2.162 2.065 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 105 ASN HA 1 137 VAL H 4.600 . 4.600 2.545 2.216 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 105 ASN QB 1 106 SER H 3.720 . 3.720 2.942 2.643 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 105 ASN QD 1 106 SER H 5.240 . 5.240 4.322 3.491 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 105 ASN QD 1 137 VAL QG 4.950 . 4.950 2.835 2.321 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 105 ASN HD21 1 137 VAL HB 4.290 . 4.290 2.995 1.794 4.378 0.088 1 0 "[ . 1 . 2 . 3]" 1
1093 1 105 ASN HD22 1 137 VAL HB 4.290 . 4.290 3.014 2.202 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 105 ASN H 1 105 ASN QB 3.190 . 3.190 2.575 2.494 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 105 ASN H 1 105 ASN QD 4.090 . 4.090 3.341 2.590 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 105 ASN H 1 105 ASN HD21 4.940 . 4.940 3.444 2.612 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 105 ASN H 1 105 ASN HD22 4.940 . 4.940 4.660 4.193 4.963 0.023 3 0 "[ . 1 . 2 . 3]" 1
1098 1 105 ASN H 1 106 SER HA 4.800 . 4.800 4.746 4.641 4.823 0.023 28 0 "[ . 1 . 2 . 3]" 1
1099 1 105 ASN H 1 106 SER H 4.540 . 4.540 4.323 4.224 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 106 SER HA 1 107 PRO QG 5.160 . 5.160 3.870 3.787 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 106 SER H 1 107 PRO HA 5.500 . 5.500 4.997 4.813 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 106 SER H 1 107 PRO QD 5.870 . 5.870 4.264 4.095 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 106 SER H 1 136 ILE HA 4.910 . 4.910 4.854 4.298 4.973 0.063 24 0 "[ . 1 . 2 . 3]" 1
1104 1 106 SER H 1 137 VAL HA 5.500 . 5.500 5.081 4.810 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 106 SER H 1 137 VAL HB 4.770 . 4.770 4.318 3.895 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 106 SER H 1 137 VAL H 4.490 . 4.490 3.821 3.470 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 106 SER H 1 138 GLY QA 4.170 . 4.170 3.142 2.837 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 106 SER H 1 139 SER QB 6.220 . 6.220 3.964 3.400 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 106 SER H 1 139 SER H 4.070 . 4.070 3.125 2.521 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 107 PRO HA 1 108 SER QB 5.200 . 5.200 4.302 3.958 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 107 PRO HA 1 108 SER H 3.060 . 3.060 2.133 2.059 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 107 PRO QB 1 108 SER H 4.530 . 4.530 3.357 3.180 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 107 PRO QB 1 140 GLY QA 5.490 . 5.490 3.507 2.351 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 107 PRO HB3 1 108 SER H 4.280 . 4.280 3.783 3.515 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 107 PRO HB2 1 108 SER H 4.280 . 4.280 3.794 3.406 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 108 SER HA 1 117 ILE MG 5.980 . 5.980 4.693 4.301 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 108 SER QB 1 117 ILE MG 5.450 . 5.450 2.827 2.180 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 108 SER QB 1 138 GLY QA 5.530 . 5.530 2.678 2.264 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 108 SER HB3 1 117 ILE MG 5.210 . 5.210 3.100 2.246 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 108 SER HB2 1 117 ILE MG 5.210 . 5.210 3.405 2.544 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 108 SER H 1 108 SER HB3 4.010 . 4.010 3.560 2.689 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 108 SER H 1 108 SER HB2 4.010 . 4.010 2.956 2.641 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 108 SER H 1 139 SER H 4.230 . 4.230 3.472 3.028 4.247 0.017 6 0 "[ . 1 . 2 . 3]" 1
1124 1 108 SER H 1 140 GLY QA 5.010 . 5.010 2.611 2.171 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 108 SER H 1 140 GLY HA3 4.830 . 4.830 2.996 2.219 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 108 SER H 1 140 GLY HA2 4.830 . 4.830 3.193 2.341 4.856 0.026 16 0 "[ . 1 . 2 . 3]" 1
1127 1 108 SER H 1 140 GLY H 4.030 . 4.030 3.891 2.793 4.104 0.074 25 0 "[ . 1 . 2 . 3]" 1
1128 1 109 THR HA 1 111 GLU H 4.170 . 4.170 4.135 3.868 4.236 0.066 22 0 "[ . 1 . 2 . 3]" 1
1129 1 109 THR MG 1 110 PRO QB 7.070 . 7.070 4.280 3.537 5.504 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 109 THR MG 1 110 PRO QG 6.590 . 6.590 3.795 2.638 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 109 THR MG 1 111 GLU QB 5.390 . 5.390 3.443 2.453 5.410 0.020 30 0 "[ . 1 . 2 . 3]" 1
1132 1 109 THR MG 1 111 GLU QG 6.090 . 6.090 3.112 1.952 5.639 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 109 THR MG 1 111 GLU H 5.200 . 5.200 2.752 2.009 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 109 THR MG 1 112 LEU H 5.730 . 5.730 3.906 2.333 5.126 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 110 PRO QB 1 112 LEU H 6.190 . 6.190 4.653 4.461 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 110 PRO QG 1 111 GLU H 4.990 . 4.990 3.567 2.665 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 111 GLU HA 1 113 VAL H 4.350 . 4.350 3.903 3.409 4.371 0.021 13 0 "[ . 1 . 2 . 3]" 1
1138 1 111 GLU QB 1 112 LEU H 5.020 . 5.020 3.138 2.688 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 111 GLU QG 1 112 LEU H 6.220 . 6.220 3.971 2.515 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 111 GLU H 1 111 GLU HB3 3.600 . 3.600 3.429 2.671 3.651 0.051 16 0 "[ . 1 . 2 . 3]" 1
1141 1 111 GLU H 1 111 GLU HB2 3.600 . 3.600 2.711 2.349 3.639 0.039 23 0 "[ . 1 . 2 . 3]" 1
1142 1 111 GLU H 1 111 GLU QG 4.320 . 4.320 2.315 1.928 3.331 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 111 GLU H 1 112 LEU QD 6.040 . 6.040 3.914 3.283 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 111 GLU H 1 112 LEU H 3.800 . 3.800 2.596 2.476 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 111 GLU H 1 113 VAL H 4.130 . 4.130 4.063 3.795 4.223 0.093 25 0 "[ . 1 . 2 . 3]" 1
1146 1 112 LEU QD 1 113 VAL H 6.500 . 6.500 4.143 3.283 4.440 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 112 LEU H 1 112 LEU HB3 4.000 . 4.000 3.594 2.509 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 112 LEU H 1 112 LEU HB2 4.000 . 4.000 2.522 2.374 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 112 LEU H 1 112 LEU MD1 5.270 . 5.270 3.318 2.325 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 112 LEU H 1 112 LEU MD2 5.270 . 5.270 3.594 2.405 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 112 LEU H 1 112 LEU HG 5.140 . 5.140 3.745 2.141 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 112 LEU H 1 113 VAL H 3.800 . 3.800 2.303 1.996 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 113 VAL HA 1 114 GLY H 3.550 . 3.550 2.092 2.052 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 113 VAL HA 1 115 LYS H 4.190 . 4.190 3.276 3.103 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 113 VAL HB 1 114 GLY H 4.490 . 4.490 4.126 2.992 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 113 VAL HB 1 139 SER HA 4.200 . 4.200 3.666 2.757 4.336 0.136 7 0 "[ . 1 . 2 . 3]" 1
1157 1 113 VAL QG 1 114 GLY QA 6.790 . 6.790 3.050 2.919 3.689 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 113 VAL QG 1 114 GLY H 5.330 . 5.330 2.661 2.433 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 113 VAL QG 1 139 SER H 7.140 . 7.140 4.391 3.676 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 113 VAL QG 1 140 GLY H 5.780 . 5.780 2.388 1.785 3.211 0.015 28 0 "[ . 1 . 2 . 3]" 1
1161 1 113 VAL H 1 113 VAL HB 3.320 . 3.320 2.628 2.419 3.524 0.204 25 0 "[ . 1 . 2 . 3]" 1
1162 1 113 VAL H 1 114 GLY H 4.640 . 4.640 4.515 4.459 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
1163 1 114 GLY H 1 115 LYS H 3.920 . 3.920 2.421 2.188 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 114 GLY H 1 139 SER HA 3.990 . 3.990 3.406 2.766 4.020 0.030 11 0 "[ . 1 . 2 . 3]" 1
1165 1 115 LYS HA 1 115 LYS QD 4.750 . 4.750 3.699 2.493 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 115 LYS HA 1 116 VAL QG 5.060 . 5.060 3.414 3.178 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 115 LYS QB 1 116 VAL HA 5.840 . 5.840 4.354 4.114 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 115 LYS QB 1 116 VAL H 5.110 . 5.110 2.695 2.307 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 115 LYS QG 1 116 VAL H 4.890 . 4.890 3.653 2.279 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 115 LYS H 1 115 LYS QG 5.090 . 5.090 3.274 2.507 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 115 LYS H 1 115 LYS HG3 4.970 . 4.970 3.505 2.547 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 115 LYS H 1 115 LYS HG2 4.970 . 4.970 4.138 3.731 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 115 LYS H 1 116 VAL H 4.630 . 4.630 4.440 4.345 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 116 VAL HA 1 138 GLY QA 4.380 . 4.380 4.389 4.202 4.461 0.081 23 0 "[ . 1 . 2 . 3]" 1
1175 1 116 VAL HA 1 138 GLY H 4.310 . 4.310 2.755 2.519 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 116 VAL HB 1 137 VAL HA 4.910 . 4.910 4.923 4.671 5.012 0.102 23 0 "[ . 1 . 2 . 3]" 1
1177 1 116 VAL QG 1 117 ILE H 5.250 . 5.250 2.594 2.433 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 116 VAL QG 1 118 GLY QA 5.700 . 5.700 3.019 2.668 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 116 VAL QG 1 118 GLY H 4.410 . 4.410 2.019 1.788 2.327 0.012 1 0 "[ . 1 . 2 . 3]" 1
1180 1 116 VAL QG 1 137 VAL H 5.740 . 5.740 4.179 3.993 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 116 VAL QG 1 138 GLY H 5.090 . 5.090 3.934 3.743 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 116 VAL H 1 116 VAL HB 3.920 . 3.920 2.455 2.365 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 116 VAL H 1 116 VAL QG 4.200 . 4.200 2.236 2.118 2.394 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 116 VAL H 1 117 ILE H 4.880 . 4.880 4.491 4.432 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 116 VAL H 1 138 GLY H 5.080 . 5.080 4.640 4.556 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 117 ILE HB 1 118 GLY H 4.470 . 4.470 4.149 4.019 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 117 ILE MD 1 118 GLY HA3 5.360 . 5.360 3.073 2.653 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 117 ILE MD 1 118 GLY HA2 5.360 . 5.360 4.095 3.783 5.262 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 117 ILE MD 1 119 THR HA 5.530 . 5.530 5.128 4.654 5.565 0.035 22 0 "[ . 1 . 2 . 3]" 1
1190 1 117 ILE MD 1 119 THR H 6.070 . 6.070 4.978 4.462 6.019 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 117 ILE HG12 1 118 GLY H 4.640 . 4.640 4.381 2.861 4.675 0.035 19 0 "[ . 1 . 2 . 3]" 1
1192 1 117 ILE MG 1 118 GLY H 5.680 . 5.680 4.206 4.081 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 117 ILE MG 1 138 GLY QA 5.350 . 5.350 2.241 1.959 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 117 ILE H 1 117 ILE MD 5.490 . 5.490 2.926 1.770 3.426 0.030 26 0 "[ . 1 . 2 . 3]" 1
1195 1 117 ILE H 1 117 ILE QG 4.980 . 4.980 2.223 1.956 3.210 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 117 ILE H 1 118 GLY H 4.130 . 4.130 2.164 2.056 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 118 GLY QA 1 119 THR HA 6.160 . 6.160 3.918 3.884 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 118 GLY QA 1 119 THR MG 6.070 . 6.070 3.491 3.360 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 118 GLY QA 1 136 ILE MD 6.590 . 6.590 3.919 3.309 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 118 GLY HA3 1 119 THR H 3.480 . 3.480 2.626 2.304 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 118 GLY HA2 1 119 THR H 3.480 . 3.480 2.454 2.240 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 118 GLY H 1 119 THR MG 6.050 . 6.050 4.185 3.822 4.766 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 118 GLY H 1 119 THR H 4.530 . 4.530 4.263 4.137 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 119 THR HA 1 136 ILE MD 5.410 . 5.410 3.275 2.257 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 119 THR HB 1 120 ASN H 3.800 . 3.800 2.808 2.589 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 119 THR HG1 1 120 ASN H 4.620 . 4.620 4.326 4.025 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 119 THR HG1 1 123 ALA H 4.750 . 4.750 3.563 3.010 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 119 THR MG 1 120 ASN H 5.030 . 5.030 3.685 3.485 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 119 THR H 1 119 THR HB 3.970 . 3.970 3.617 3.504 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 119 THR H 1 119 THR HG1 4.520 . 4.520 3.117 2.807 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 119 THR H 1 123 ALA H 5.170 . 5.170 4.663 3.633 5.206 0.036 30 0 "[ . 1 . 2 . 3]" 1
1212 1 119 THR H 1 136 ILE MD 5.400 . 5.400 4.355 3.688 5.421 0.021 4 0 "[ . 1 . 2 . 3]" 1
1213 1 120 ASN HA 1 136 ILE MD 5.320 . 5.320 3.542 2.645 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 120 ASN QB 1 136 ILE MD 6.040 . 6.040 3.256 2.056 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 120 ASN H 1 133 VAL HA 5.420 . 5.420 5.000 4.321 5.467 0.047 1 0 "[ . 1 . 2 . 3]" 1
1216 1 120 ASN H 1 134 ILE HB 4.240 . 4.240 2.982 2.600 4.369 0.129 26 0 "[ . 1 . 2 . 3]" 1
1217 1 120 ASN H 1 134 ILE MD 5.710 . 5.710 4.426 3.983 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 120 ASN H 1 134 ILE H 4.500 . 4.500 3.461 2.922 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 120 ASN H 1 136 ILE MD 5.080 . 5.080 3.390 2.340 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 122 PRO QB 1 123 ALA H 4.380 . 4.380 2.991 2.592 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 122 PRO QB 1 125 GLN QE 5.820 . 5.820 4.533 1.775 5.829 0.025 20 0 "[ . 1 . 2 . 3]" 1
1222 1 122 PRO QB 1 125 GLN H 4.150 . 4.150 3.362 2.764 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 122 PRO HB3 1 123 ALA H 4.000 . 4.000 3.677 3.401 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 122 PRO HB2 1 123 ALA H 4.000 . 4.000 3.173 2.688 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 122 PRO QG 1 124 ASN H 5.030 . 5.030 3.674 3.038 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 122 PRO QG 1 125 GLN QE 5.320 . 5.320 3.444 1.791 5.222 0.009 22 0 "[ . 1 . 2 . 3]" 1
1227 1 122 PRO QG 1 125 GLN H 3.530 . 3.530 3.472 2.992 3.599 0.069 25 0 "[ . 1 . 2 . 3]" 1
1228 1 123 ALA HA 1 125 GLN H 4.100 . 4.100 3.466 3.213 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 123 ALA MB 1 124 ASN QD 4.560 . 4.560 3.253 2.613 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 123 ALA MB 1 124 ASN HD21 5.230 . 5.230 3.562 2.714 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 123 ALA MB 1 124 ASN HD22 5.230 . 5.230 3.842 3.385 5.367 0.137 10 0 "[ . 1 . 2 . 3]" 1
1232 1 123 ALA MB 1 124 ASN H 4.600 . 4.600 3.300 2.879 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 123 ALA MB 1 125 GLN H 5.990 . 5.990 4.440 4.221 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 123 ALA H 1 124 ASN H 4.600 . 4.600 2.630 2.439 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 124 ASN HA 1 124 ASN QD 3.770 . 3.770 3.243 1.784 3.793 0.023 30 0 "[ . 1 . 2 . 3]" 1
1236 1 124 ASN HA 1 124 ASN HD21 4.570 . 4.570 3.427 1.790 4.078 0.010 15 0 "[ . 1 . 2 . 3]" 1
1237 1 124 ASN HA 1 124 ASN HD22 4.570 . 4.570 4.169 3.442 4.855 0.285 12 0 "[ . 1 . 2 . 3]" 1
1238 1 124 ASN HB3 1 125 GLN H 4.440 . 4.440 4.265 3.710 4.466 0.026 12 0 "[ . 1 . 2 . 3]" 1
1239 1 124 ASN HB2 1 125 GLN H 4.440 . 4.440 3.644 3.212 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 124 ASN QD 1 125 GLN QB 5.070 . 5.070 5.104 4.154 5.319 0.249 10 0 "[ . 1 . 2 . 3]" 1
1241 1 124 ASN H 1 124 ASN QD 4.640 . 4.640 2.692 2.164 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 124 ASN H 1 125 GLN QB 3.950 . 3.950 3.573 3.269 3.959 0.009 1 0 "[ . 1 . 2 . 3]" 1
1243 1 124 ASN H 1 125 GLN H 3.780 . 3.780 2.144 1.914 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 125 GLN HA 1 125 GLN QE 4.790 . 4.790 3.407 1.719 4.406 0.081 21 0 "[ . 1 . 2 . 3]" 1
1245 1 125 GLN HA 1 125 GLN QG 3.950 . 3.950 2.691 2.159 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 125 GLN HA 1 126 THR HA 4.570 . 4.570 4.341 4.208 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 125 GLN HA 1 126 THR HB 4.950 . 4.950 4.757 4.571 5.041 0.091 3 0 "[ . 1 . 2 . 3]" 1
1248 1 125 GLN HA 1 126 THR H 2.990 . 2.990 2.251 2.087 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 125 GLN QB 1 126 THR H 3.190 . 3.190 3.115 1.787 3.320 0.130 1 0 "[ . 1 . 2 . 3]" 1
1250 1 125 GLN HB3 1 126 THR H 3.690 . 3.690 3.407 1.795 3.718 0.028 23 0 "[ . 1 . 2 . 3]" 1
1251 1 125 GLN HB2 1 126 THR H 3.690 . 3.690 3.710 3.283 3.801 0.111 3 0 "[ . 1 . 2 . 3]" 1
1252 1 125 GLN QG 1 126 THR H 4.260 . 4.260 2.168 1.788 2.969 0.012 3 0 "[ . 1 . 2 . 3]" 1
1253 1 125 GLN HG3 1 126 THR H 3.900 . 3.900 2.438 1.794 4.066 0.166 22 0 "[ . 1 . 2 . 3]" 1
1254 1 125 GLN HG2 1 126 THR H 3.900 . 3.900 2.986 1.851 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 125 GLN H 1 125 GLN QB 3.180 . 3.180 2.444 2.225 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 125 GLN H 1 126 THR H 4.420 . 4.420 4.328 4.207 4.423 0.003 30 0 "[ . 1 . 2 . 3]" 1
1257 1 126 THR HA 1 127 SER H 2.990 . 2.990 2.191 2.124 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 126 THR HB 1 127 SER H 4.360 . 4.360 4.155 3.676 4.361 0.001 17 0 "[ . 1 . 2 . 3]" 1
1259 1 126 THR MG 1 127 SER HA 5.160 . 5.160 4.127 3.687 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 126 THR MG 1 127 SER H 4.490 . 4.490 3.008 2.479 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 126 THR MG 1 128 ALA H 5.980 . 5.980 5.138 4.790 5.604 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 126 THR H 1 126 THR HB 3.130 . 3.130 2.631 2.493 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 126 THR H 1 127 SER H 4.750 . 4.750 4.333 3.896 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 127 SER HA 1 128 ALA H 3.000 . 3.000 2.291 2.184 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 127 SER QB 1 128 ALA H 4.470 . 4.470 2.856 2.681 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 127 SER QB 1 131 ASN QD 6.690 . 6.690 3.410 1.945 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 127 SER H 1 128 ALA H 4.610 . 4.610 4.432 4.344 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 128 ALA HA 1 129 ILE HA 4.370 . 4.370 4.289 4.229 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 128 ALA HA 1 130 THR H 4.240 . 4.240 3.889 3.645 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 128 ALA MB 1 129 ILE H 5.280 . 5.280 2.656 2.466 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 128 ALA MB 1 131 ASN QD 5.370 . 5.370 2.381 1.798 3.922 0.002 25 0 "[ . 1 . 2 . 3]" 1
1272 1 128 ALA MB 1 131 ASN H 4.840 . 4.840 3.207 2.711 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 128 ALA H 1 131 ASN QB 4.280 . 4.280 3.392 2.352 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 128 ALA H 1 131 ASN HD21 3.940 . 3.940 3.007 2.204 4.118 0.178 6 0 "[ . 1 . 2 . 3]" 1
1275 1 128 ALA H 1 131 ASN HD22 3.940 . 3.940 3.381 2.500 4.052 0.112 20 0 "[ . 1 . 2 . 3]" 1
1276 1 128 ALA H 1 131 ASN H 5.290 . 5.290 4.602 4.047 5.222 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 129 ILE HA 1 129 ILE MD 4.770 . 4.770 2.240 2.018 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 129 ILE HA 1 131 ASN H 4.550 . 4.550 3.505 3.198 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 129 ILE HB 1 130 THR H 3.600 . 3.600 3.248 2.709 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 129 ILE MD 1 130 THR H 5.890 . 5.890 4.584 4.168 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 129 ILE MG 1 130 THR H 5.460 . 5.460 3.751 3.105 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 129 ILE H 1 129 ILE MD 4.750 . 4.750 2.946 2.025 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 129 ILE H 1 129 ILE QG 4.990 . 4.990 2.486 1.959 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 129 ILE H 1 130 THR MG 5.670 . 5.670 4.173 3.530 5.697 0.027 12 0 "[ . 1 . 2 . 3]" 1
1285 1 129 ILE H 1 130 THR H 4.200 . 4.200 2.647 2.376 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 129 ILE H 1 131 ASN H 4.680 . 4.680 4.167 3.863 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 130 THR HA 1 130 THR HB 3.000 . 3.000 2.576 2.443 3.031 0.031 12 0 "[ . 1 . 2 . 3]" 1
1288 1 130 THR H 1 131 ASN QB 4.220 . 4.220 4.170 3.762 4.307 0.087 6 0 "[ . 1 . 2 . 3]" 1
1289 1 130 THR H 1 131 ASN H 3.540 . 3.540 2.442 2.220 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 131 ASN HA 1 131 ASN QD 4.430 . 4.430 3.168 1.920 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 131 ASN HA 1 131 ASN HD21 4.200 . 4.200 3.373 1.928 4.255 0.055 28 0 "[ . 1 . 2 . 3]" 1
1292 1 131 ASN HA 1 131 ASN HD22 4.200 . 4.200 4.065 3.563 4.354 0.154 28 0 "[ . 1 . 2 . 3]" 1
1293 1 131 ASN QB 1 131 ASN QD 3.100 . 3.100 2.273 2.045 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 131 ASN QB 1 132 VAL H 3.650 . 3.650 3.146 2.683 3.683 0.033 9 0 "[ . 1 . 2 . 3]" 1
1295 1 131 ASN H 1 131 ASN QB 3.210 . 3.210 2.290 2.200 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 131 ASN H 1 132 VAL H 4.630 . 4.630 4.484 4.389 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 132 VAL HA 1 133 VAL H 3.400 . 3.400 2.131 2.093 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 132 VAL HB 1 133 VAL H 4.440 . 4.440 4.257 4.160 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 132 VAL QG 1 133 VAL H 5.460 . 5.460 2.863 2.694 2.989 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 132 VAL QG 1 134 ILE H 6.550 . 6.550 4.046 3.745 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 132 VAL H 1 132 VAL HB 3.120 . 3.120 2.544 2.444 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 132 VAL H 1 133 VAL HA 5.500 . 5.500 5.043 4.894 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 132 VAL H 1 133 VAL H 4.760 . 4.760 4.387 4.301 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 133 VAL H 1 133 VAL HB 3.990 . 3.990 2.524 2.480 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 134 ILE QG 1 135 ILE H 5.220 . 5.220 4.175 2.963 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 134 ILE MG 1 135 ILE H 5.480 . 5.480 3.040 2.817 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 134 ILE H 1 134 ILE MD 5.410 . 5.410 3.152 1.964 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 134 ILE H 1 135 ILE H 4.750 . 4.750 4.248 4.211 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 135 ILE HA 1 135 ILE MD 4.220 . 4.220 3.181 2.971 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 135 ILE MD 1 136 ILE H 4.740 . 4.740 2.931 2.577 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 135 ILE MD 1 137 VAL H 5.160 . 5.160 3.521 3.338 5.198 0.038 16 0 "[ . 1 . 2 . 3]" 1
1312 1 135 ILE H 1 135 ILE HB 3.920 . 3.920 2.872 2.761 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 135 ILE H 1 135 ILE MD 5.300 . 5.300 4.138 4.053 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 135 ILE H 1 136 ILE H 4.940 . 4.940 4.319 4.153 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 136 ILE H 1 136 ILE MD 5.220 . 5.220 3.279 1.837 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 136 ILE H 1 136 ILE QG 4.380 . 4.380 2.540 2.004 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 137 VAL QG 1 138 GLY QA 5.260 . 5.260 3.494 3.397 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 137 VAL QG 1 138 GLY H 4.680 . 4.680 2.477 2.352 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 137 VAL MG1 1 138 GLY H 5.410 . 5.410 2.498 2.368 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 137 VAL MG2 1 138 GLY H 5.410 . 5.410 4.099 4.002 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 137 VAL H 1 137 VAL HB 4.140 . 4.140 2.592 2.525 2.647 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 138 GLY H 1 139 SER H 4.640 . 4.640 4.332 4.104 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 139 SER HA 1 140 GLY H 3.410 . 3.410 2.190 2.119 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 139 SER QB 1 140 GLY H 4.890 . 4.890 3.484 2.816 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 139 SER H 1 140 GLY QA 5.550 . 5.550 4.294 4.134 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 139 SER H 1 140 GLY H 4.250 . 4.250 4.084 3.811 4.299 0.049 2 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 90
_Distance_constraint_stats_list.Viol_count 308
_Distance_constraint_stats_list.Viol_total 297.643
_Distance_constraint_stats_list.Viol_max 0.190
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_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 11 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 SER 0.402 0.055 28 0 "[ . 1 . 2 . 3]"
1 19 SER 0.005 0.005 15 0 "[ . 1 . 2 . 3]"
1 20 ALA 0.086 0.035 11 0 "[ . 1 . 2 . 3]"
1 21 ASP 0.428 0.055 28 0 "[ . 1 . 2 . 3]"
1 22 ALA 0.087 0.020 14 0 "[ . 1 . 2 . 3]"
1 23 ILE 0.005 0.005 15 0 "[ . 1 . 2 . 3]"
1 24 ALA 0.086 0.035 11 0 "[ . 1 . 2 . 3]"
1 25 THR 0.173 0.030 11 0 "[ . 1 . 2 . 3]"
1 26 LEU 0.053 0.020 14 0 "[ . 1 . 2 . 3]"
1 27 GLN 0.018 0.018 2 0 "[ . 1 . 2 . 3]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 ARG 0.111 0.030 11 0 "[ . 1 . 2 . 3]"
1 30 GLY 0.018 0.018 2 0 "[ . 1 . 2 . 3]"
1 31 PHE 0.002 0.002 28 0 "[ . 1 . 2 . 3]"
1 32 LYS 0.420 0.048 16 0 "[ . 1 . 2 . 3]"
1 34 ARG 0.800 0.055 26 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.389 0.042 28 0 "[ . 1 . 2 . 3]"
1 38 LYS 0.077 0.049 13 0 "[ . 1 . 2 . 3]"
1 40 ASP 0.910 0.101 5 0 "[ . 1 . 2 . 3]"
1 45 PRO 2.982 0.190 25 0 "[ . 1 . 2 . 3]"
1 47 HIS 2.982 0.190 25 0 "[ . 1 . 2 . 3]"
1 53 PRO 1.591 0.103 17 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 THR 1.591 0.103 17 0 "[ . 1 . 2 . 3]"
1 63 ASP 0.119 0.032 5 0 "[ . 1 . 2 . 3]"
1 65 ILE 0.308 0.048 16 0 "[ . 1 . 2 . 3]"
1 67 VAL 0.960 0.055 26 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.238 0.042 28 0 "[ . 1 . 2 . 3]"
1 71 THR 0.059 0.049 13 0 "[ . 1 . 2 . 3]"
1 72 GLY 0.910 0.101 5 0 "[ . 1 . 2 . 3]"
1 76 ARG 0.296 0.044 9 0 "[ . 1 . 2 . 3]"
1 85 THR 0.067 0.034 8 0 "[ . 1 . 2 . 3]"
1 86 TYR 0.039 0.039 21 0 "[ . 1 . 2 . 3]"
1 87 ALA 0.157 0.056 11 0 "[ . 1 . 2 . 3]"
1 88 GLU 0.092 0.020 7 0 "[ . 1 . 2 . 3]"
1 89 ALA 0.112 0.034 8 0 "[ . 1 . 2 . 3]"
1 90 VAL 0.074 0.039 21 0 "[ . 1 . 2 . 3]"
1 91 LYS 0.157 0.056 11 0 "[ . 1 . 2 . 3]"
1 92 LYS 0.124 0.020 7 0 "[ . 1 . 2 . 3]"
1 93 LEU 0.045 0.030 1 0 "[ . 1 . 2 . 3]"
1 94 THR 0.047 0.035 14 0 "[ . 1 . 2 . 3]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 96 ALA 0.032 0.013 19 0 "[ . 1 . 2 . 3]"
1 97 GLY 0.012 0.008 24 0 "[ . 1 . 2 . 3]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 102 LYS 0.002 0.002 22 0 "[ . 1 . 2 . 3]"
1 104 ALA 0.212 0.041 30 0 "[ . 1 . 2 . 3]"
1 106 SER 0.037 0.020 9 0 "[ . 1 . 2 . 3]"
1 109 THR 0.015 0.005 17 0 "[ . 1 . 2 . 3]"
1 112 LEU 0.025 0.009 7 0 "[ . 1 . 2 . 3]"
1 115 LYS 0.009 0.009 7 0 "[ . 1 . 2 . 3]"
1 117 ILE 0.193 0.049 20 0 "[ . 1 . 2 . 3]"
1 119 THR 0.755 0.056 24 0 "[ . 1 . 2 . 3]"
1 121 PRO 0.755 0.056 24 0 "[ . 1 . 2 . 3]"
1 127 SER 0.296 0.044 9 0 "[ . 1 . 2 . 3]"
1 128 ALA 0.017 0.017 27 0 "[ . 1 . 2 . 3]"
1 131 ASN 0.017 0.017 27 0 "[ . 1 . 2 . 3]"
1 133 VAL 0.002 0.002 22 0 "[ . 1 . 2 . 3]"
1 135 ILE 0.034 0.021 23 0 "[ . 1 . 2 . 3]"
1 136 ILE 0.193 0.049 20 0 "[ . 1 . 2 . 3]"
1 137 VAL 0.188 0.041 30 0 "[ . 1 . 2 . 3]"
1 139 SER 0.027 0.020 9 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 11 VAL H 1 55 ALA O 2.300 . 2.300 1.990 1.837 2.296 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 11 VAL N 1 55 ALA O 3.300 . 3.300 2.860 2.740 3.102 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 18 SER OG 1 21 ASP H 2.300 . 2.300 2.250 1.939 2.355 0.055 28 0 "[ . 1 . 2 . 3]" 2
4 1 18 SER OG 1 21 ASP N 3.300 . 3.300 3.156 2.888 3.271 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 18 SER O 1 22 ALA H 2.300 . 2.300 2.041 1.817 2.320 0.020 12 0 "[ . 1 . 2 . 3]" 2
6 1 18 SER O 1 22 ALA N 3.300 . 3.300 2.976 2.757 3.269 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 19 SER O 1 23 ILE H 2.300 . 2.300 1.986 1.820 2.305 0.005 15 0 "[ . 1 . 2 . 3]" 2
8 1 19 SER O 1 23 ILE N 3.300 . 3.300 2.944 2.796 3.267 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 20 ALA O 1 24 ALA H 2.300 . 2.300 2.069 1.850 2.335 0.035 11 0 "[ . 1 . 2 . 3]" 2
10 1 20 ALA O 1 24 ALA N 3.300 . 3.300 3.013 2.808 3.281 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 21 ASP O 1 25 THR H 2.300 . 2.300 1.905 1.779 2.106 0.021 22 0 "[ . 1 . 2 . 3]" 2
12 1 21 ASP O 1 25 THR N 3.300 . 3.300 2.834 2.733 3.046 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 22 ALA O 1 26 LEU H 2.300 . 2.300 2.084 1.881 2.320 0.020 14 0 "[ . 1 . 2 . 3]" 2
14 1 22 ALA O 1 26 LEU N 3.300 . 3.300 3.051 2.841 3.294 . 0 0 "[ . 1 . 2 . 3]" 2
15 1 23 ILE O 1 27 GLN H 2.300 . 2.300 2.006 1.824 2.155 . 0 0 "[ . 1 . 2 . 3]" 2
16 1 23 ILE O 1 27 GLN N 3.300 . 3.300 2.915 2.722 3.058 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 24 ALA O 1 28 ASN H 2.300 . 2.300 1.953 1.817 2.156 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 24 ALA O 1 28 ASN N 3.300 . 3.300 2.885 2.737 3.088 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 25 THR O 1 29 ARG H 2.300 . 2.300 2.221 2.021 2.330 0.030 11 0 "[ . 1 . 2 . 3]" 2
20 1 25 THR O 1 29 ARG N 3.300 . 3.300 3.006 2.835 3.165 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 27 GLN O 1 30 GLY H 2.300 . 2.300 2.185 2.048 2.318 0.018 2 0 "[ . 1 . 2 . 3]" 2
22 1 27 GLN O 1 30 GLY N 3.300 . 3.300 3.001 2.893 3.120 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 26 LEU O 1 31 PHE H 2.300 . 2.300 1.925 1.798 2.171 0.002 28 0 "[ . 1 . 2 . 3]" 2
24 1 26 LEU O 1 31 PHE N 3.300 . 3.300 2.828 2.737 3.111 . 0 0 "[ . 1 . 2 . 3]" 2
25 1 32 LYS H 1 63 ASP O 2.300 . 2.300 1.855 1.768 2.139 0.032 5 0 "[ . 1 . 2 . 3]" 2
26 1 32 LYS N 1 63 ASP O 3.300 . 3.300 2.818 2.735 3.113 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 34 ARG H 1 65 ILE O 2.300 . 2.300 1.943 1.794 2.246 0.006 25 0 "[ . 1 . 2 . 3]" 2
28 1 34 ARG N 1 65 ILE O 3.300 . 3.300 2.899 2.772 3.148 . 0 0 "[ . 1 . 2 . 3]" 2
29 1 36 LEU H 1 67 VAL O 2.300 . 2.300 1.852 1.759 2.034 0.041 21 0 "[ . 1 . 2 . 3]" 2
30 1 36 LEU N 1 67 VAL O 3.300 . 3.300 2.831 2.732 3.010 . 0 0 "[ . 1 . 2 . 3]" 2
31 1 38 LYS H 1 69 VAL O 2.300 . 2.300 2.029 1.809 2.314 0.014 9 0 "[ . 1 . 2 . 3]" 2
32 1 38 LYS N 1 69 VAL O 3.300 . 3.300 2.961 2.744 3.240 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 40 ASP H 1 72 GLY O 2.300 . 2.300 2.311 2.107 2.401 0.101 5 0 "[ . 1 . 2 . 3]" 2
34 1 40 ASP N 1 72 GLY O 3.300 . 3.300 3.185 2.982 3.277 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 45 PRO O 1 47 HIS H 2.300 . 2.300 2.399 2.303 2.490 0.190 25 0 "[ . 1 . 2 . 3]" 2
36 1 45 PRO O 1 47 HIS N 3.300 . 3.300 2.823 2.758 2.917 . 0 0 "[ . 1 . 2 . 3]" 2
37 1 53 PRO O 1 57 THR H 2.300 . 2.300 2.349 2.165 2.403 0.103 17 0 "[ . 1 . 2 . 3]" 2
38 1 53 PRO O 1 57 THR N 3.300 . 3.300 2.937 2.818 3.154 . 0 0 "[ . 1 . 2 . 3]" 2
39 1 32 LYS O 1 65 ILE H 2.300 . 2.300 1.816 1.752 2.047 0.048 16 0 "[ . 1 . 2 . 3]" 2
40 1 32 LYS O 1 65 ILE N 3.300 . 3.300 2.773 2.700 2.955 . 0 0 "[ . 1 . 2 . 3]" 2
41 1 34 ARG O 1 67 VAL H 2.300 . 2.300 1.776 1.745 1.834 0.055 26 0 "[ . 1 . 2 . 3]" 2
42 1 34 ARG O 1 67 VAL N 3.300 . 3.300 2.745 2.707 2.804 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 36 LEU O 1 69 VAL H 2.300 . 2.300 1.835 1.758 2.087 0.042 28 0 "[ . 1 . 2 . 3]" 2
44 1 36 LEU O 1 69 VAL N 3.300 . 3.300 2.801 2.705 3.036 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 38 LYS O 1 71 THR H 2.300 . 2.300 2.032 1.850 2.349 0.049 13 0 "[ . 1 . 2 . 3]" 2
46 1 38 LYS O 1 71 THR N 3.300 . 3.300 2.943 2.801 3.158 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 76 ARG H 1 127 SER O 2.300 . 2.300 1.837 1.756 1.963 0.044 9 0 "[ . 1 . 2 . 3]" 2
48 1 76 ARG N 1 127 SER O 3.300 . 3.300 2.793 2.723 2.905 . 0 0 "[ . 1 . 2 . 3]" 2
49 1 85 THR O 1 89 ALA H 2.300 . 2.300 2.078 1.916 2.334 0.034 8 0 "[ . 1 . 2 . 3]" 2
50 1 85 THR O 1 89 ALA N 3.300 . 3.300 2.974 2.821 3.232 . 0 0 "[ . 1 . 2 . 3]" 2
51 1 86 TYR O 1 90 VAL H 2.300 . 2.300 2.070 1.838 2.339 0.039 21 0 "[ . 1 . 2 . 3]" 2
52 1 86 TYR O 1 90 VAL N 3.300 . 3.300 3.033 2.813 3.294 . 0 0 "[ . 1 . 2 . 3]" 2
53 1 87 ALA O 1 91 LYS H 2.300 . 2.300 2.132 1.827 2.356 0.056 11 0 "[ . 1 . 2 . 3]" 2
54 1 87 ALA O 1 91 LYS N 3.300 . 3.300 3.076 2.790 3.289 . 0 0 "[ . 1 . 2 . 3]" 2
55 1 88 GLU O 1 92 LYS H 2.300 . 2.300 1.896 1.780 2.249 0.020 7 0 "[ . 1 . 2 . 3]" 2
56 1 88 GLU O 1 92 LYS N 3.300 . 3.300 2.853 2.737 3.212 . 0 0 "[ . 1 . 2 . 3]" 2
57 1 89 ALA O 1 93 LEU H 2.300 . 2.300 1.992 1.820 2.330 0.030 1 0 "[ . 1 . 2 . 3]" 2
58 1 89 ALA O 1 93 LEU N 3.300 . 3.300 2.940 2.759 3.246 . 0 0 "[ . 1 . 2 . 3]" 2
59 1 90 VAL O 1 94 THR H 2.300 . 2.300 2.027 1.852 2.335 0.035 14 0 "[ . 1 . 2 . 3]" 2
60 1 90 VAL O 1 94 THR N 3.300 . 3.300 2.948 2.779 3.281 . 0 0 "[ . 1 . 2 . 3]" 2
61 1 91 LYS O 1 95 ALA H 2.300 . 2.300 2.004 1.823 2.264 . 0 0 "[ . 1 . 2 . 3]" 2
62 1 91 LYS O 1 95 ALA N 3.300 . 3.300 2.930 2.755 3.172 . 0 0 "[ . 1 . 2 . 3]" 2
63 1 92 LYS O 1 96 ALA H 2.300 . 2.300 2.183 1.989 2.313 0.013 19 0 "[ . 1 . 2 . 3]" 2
64 1 92 LYS O 1 96 ALA N 3.300 . 3.300 2.942 2.796 3.065 . 0 0 "[ . 1 . 2 . 3]" 2
65 1 94 THR O 1 97 GLY H 2.300 . 2.300 2.168 1.994 2.308 0.008 24 0 "[ . 1 . 2 . 3]" 2
66 1 94 THR O 1 97 GLY N 3.300 . 3.300 3.017 2.893 3.182 . 0 0 "[ . 1 . 2 . 3]" 2
67 1 102 LYS H 1 133 VAL O 2.300 . 2.300 1.956 1.798 2.132 0.002 22 0 "[ . 1 . 2 . 3]" 2
68 1 102 LYS N 1 133 VAL O 3.300 . 3.300 2.823 2.725 2.937 . 0 0 "[ . 1 . 2 . 3]" 2
69 1 104 ALA H 1 135 ILE O 2.300 . 2.300 1.883 1.779 2.014 0.021 23 0 "[ . 1 . 2 . 3]" 2
70 1 104 ALA N 1 135 ILE O 3.300 . 3.300 2.846 2.758 2.969 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 106 SER H 1 137 VAL O 2.300 . 2.300 1.980 1.816 2.310 0.010 27 0 "[ . 1 . 2 . 3]" 2
72 1 106 SER N 1 137 VAL O 3.300 . 3.300 2.935 2.793 3.242 . 0 0 "[ . 1 . 2 . 3]" 2
73 1 109 THR O 1 112 LEU H 2.300 . 2.300 1.864 1.795 2.012 0.005 17 0 "[ . 1 . 2 . 3]" 2
74 1 109 THR O 1 112 LEU N 3.300 . 3.300 2.793 2.731 2.940 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 112 LEU O 1 115 LYS H 2.300 . 2.300 2.102 1.931 2.309 0.009 7 0 "[ . 1 . 2 . 3]" 2
76 1 112 LEU O 1 115 LYS N 3.300 . 3.300 2.995 2.853 3.134 . 0 0 "[ . 1 . 2 . 3]" 2
77 1 117 ILE H 1 136 ILE O 2.300 . 2.300 2.198 1.984 2.349 0.049 20 0 "[ . 1 . 2 . 3]" 2
78 1 117 ILE N 1 136 ILE O 3.300 . 3.300 3.109 2.926 3.268 . 0 0 "[ . 1 . 2 . 3]" 2
79 1 119 THR HG1 1 121 PRO O 2.300 . 2.300 1.776 1.744 1.840 0.056 24 0 "[ . 1 . 2 . 3]" 2
80 1 119 THR OG1 1 121 PRO O 3.300 . 3.300 2.731 2.681 2.796 . 0 0 "[ . 1 . 2 . 3]" 2
81 1 76 ARG O 1 127 SER H 2.300 . 2.300 1.893 1.770 2.304 0.030 2 0 "[ . 1 . 2 . 3]" 2
82 1 76 ARG O 1 127 SER N 3.300 . 3.300 2.800 2.719 3.005 . 0 0 "[ . 1 . 2 . 3]" 2
83 1 128 ALA O 1 131 ASN H 2.300 . 2.300 2.095 1.867 2.317 0.017 27 0 "[ . 1 . 2 . 3]" 2
84 1 128 ALA O 1 131 ASN N 3.300 . 3.300 2.994 2.815 3.154 . 0 0 "[ . 1 . 2 . 3]" 2
85 1 100 ARG O 1 133 VAL H 2.300 . 2.300 1.925 1.800 2.255 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 100 ARG O 1 133 VAL N 3.300 . 3.300 2.893 2.768 3.232 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 104 ALA O 1 137 VAL H 2.300 . 2.300 1.827 1.759 1.944 0.041 30 0 "[ . 1 . 2 . 3]" 2
88 1 104 ALA O 1 137 VAL N 3.300 . 3.300 2.796 2.738 2.911 . 0 0 "[ . 1 . 2 . 3]" 2
89 1 106 SER O 1 139 SER H 2.300 . 2.300 1.938 1.780 2.163 0.020 9 0 "[ . 1 . 2 . 3]" 2
90 1 106 SER O 1 139 SER N 3.300 . 3.300 2.885 2.754 3.082 . 0 0 "[ . 1 . 2 . 3]" 2
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