NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409601 |
1zit   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zit
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 1144
_Distance_constraint_stats_list.Viol_count 2550
_Distance_constraint_stats_list.Viol_total 3472.749
_Distance_constraint_stats_list.Viol_max 0.367
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0358
_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 2 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 3 ARG 1.151 0.157 14 0 "[ . 1 . 2 . 3 . ]"
1 4 VAL 0.457 0.045 14 0 "[ . 1 . 2 . 3 . ]"
1 5 LEU 3.723 0.133 26 0 "[ . 1 . 2 . 3 . ]"
1 6 VAL 7.209 0.200 28 0 "[ . 1 . 2 . 3 . ]"
1 7 VAL 0.905 0.052 28 0 "[ . 1 . 2 . 3 . ]"
1 8 ASP 1.188 0.073 34 0 "[ . 1 . 2 . 3 . ]"
1 9 ASP 2.779 0.070 20 0 "[ . 1 . 2 . 3 . ]"
1 10 GLU 0.585 0.070 20 0 "[ . 1 . 2 . 3 . ]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 13 ILE 6.752 0.257 28 0 "[ . 1 . 2 . 3 . ]"
1 14 THR 4.247 0.159 20 0 "[ . 1 . 2 . 3 . ]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 17 LEU 11.301 0.215 2 0 "[ . 1 . 2 . 3 . ]"
1 18 SER 1.739 0.146 30 0 "[ . 1 . 2 . 3 . ]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 20 ILE 2.831 0.071 8 0 "[ . 1 . 2 . 3 . ]"
1 21 LEU 4.578 0.156 21 0 "[ . 1 . 2 . 3 . ]"
1 22 GLU 0.259 0.070 26 0 "[ . 1 . 2 . 3 . ]"
1 23 GLU 2.701 0.071 8 0 "[ . 1 . 2 . 3 . ]"
1 24 GLU 0.980 0.052 33 0 "[ . 1 . 2 . 3 . ]"
1 25 GLY 0.768 0.040 26 0 "[ . 1 . 2 . 3 . ]"
1 26 TYR 1.002 0.092 24 0 "[ . 1 . 2 . 3 . ]"
1 27 HIS 2.906 0.157 14 0 "[ . 1 . 2 . 3 . ]"
1 28 PRO 1.226 0.103 14 0 "[ . 1 . 2 . 3 . ]"
1 29 ASP 10.759 0.367 32 0 "[ . 1 . 2 . 3 . ]"
1 30 THR 8.016 0.367 32 0 "[ . 1 . 2 . 3 . ]"
1 31 ALA 0.510 0.052 27 0 "[ . 1 . 2 . 3 . ]"
1 32 LYS 3.051 0.082 35 0 "[ . 1 . 2 . 3 . ]"
1 33 THR 0.372 0.066 27 0 "[ . 1 . 2 . 3 . ]"
1 34 LEU 1.603 0.111 31 0 "[ . 1 . 2 . 3 . ]"
1 35 ARG 0.959 0.063 22 0 "[ . 1 . 2 . 3 . ]"
1 36 GLU 0.282 0.023 6 0 "[ . 1 . 2 . 3 . ]"
1 37 ALA 2.807 0.068 21 0 "[ . 1 . 2 . 3 . ]"
1 38 GLU 1.934 0.078 22 0 "[ . 1 . 2 . 3 . ]"
1 39 LYS 1.150 0.063 22 0 "[ . 1 . 2 . 3 . ]"
1 40 LYS 1.541 0.068 21 0 "[ . 1 . 2 . 3 . ]"
1 41 ILE 2.477 0.129 23 0 "[ . 1 . 2 . 3 . ]"
1 42 LYS 0.065 0.017 27 0 "[ . 1 . 2 . 3 . ]"
1 43 GLU 1.791 0.056 23 0 "[ . 1 . 2 . 3 . ]"
1 44 LEU 0.111 0.111 23 0 "[ . 1 . 2 . 3 . ]"
1 45 PHE 0.365 0.111 23 0 "[ . 1 . 2 . 3 . ]"
1 46 PHE 3.488 0.153 15 0 "[ . 1 . 2 . 3 . ]"
1 47 PRO 0.683 0.078 2 0 "[ . 1 . 2 . 3 . ]"
1 48 VAL 1.076 0.117 20 0 "[ . 1 . 2 . 3 . ]"
1 49 ILE 7.456 0.153 15 0 "[ . 1 . 2 . 3 . ]"
1 50 VAL 0.508 0.038 17 0 "[ . 1 . 2 . 3 . ]"
1 51 LEU 1.368 0.119 32 0 "[ . 1 . 2 . 3 . ]"
1 52 ASP 1.274 0.080 30 0 "[ . 1 . 2 . 3 . ]"
1 53 VAL 0.155 0.042 18 0 "[ . 1 . 2 . 3 . ]"
1 54 TRP 1.217 0.059 19 0 "[ . 1 . 2 . 3 . ]"
1 55 MET 0.480 0.044 38 0 "[ . 1 . 2 . 3 . ]"
1 56 PRO 0.595 0.041 7 0 "[ . 1 . 2 . 3 . ]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 59 ASP 0.161 0.071 10 0 "[ . 1 . 2 . 3 . ]"
1 60 GLY 0.161 0.071 10 0 "[ . 1 . 2 . 3 . ]"
1 61 VAL 0.027 0.014 34 0 "[ . 1 . 2 . 3 . ]"
1 62 ASN 2.236 0.200 23 0 "[ . 1 . 2 . 3 . ]"
1 63 PHE 0.332 0.030 6 0 "[ . 1 . 2 . 3 . ]"
1 64 ILE 0.379 0.035 10 0 "[ . 1 . 2 . 3 . ]"
1 65 ASP 1.292 0.057 29 0 "[ . 1 . 2 . 3 . ]"
1 66 PHE 0.860 0.043 16 0 "[ . 1 . 2 . 3 . ]"
1 67 ILE 1.027 0.035 10 0 "[ . 1 . 2 . 3 . ]"
1 68 LYS 1.391 0.057 29 0 "[ . 1 . 2 . 3 . ]"
1 69 GLU 1.510 0.052 35 0 "[ . 1 . 2 . 3 . ]"
1 70 ASN 1.060 0.052 35 0 "[ . 1 . 2 . 3 . ]"
1 71 SER 0.480 0.025 2 0 "[ . 1 . 2 . 3 . ]"
1 72 PRO 4.361 0.123 24 0 "[ . 1 . 2 . 3 . ]"
1 73 ASP 4.367 0.123 24 0 "[ . 1 . 2 . 3 . ]"
1 74 SER 0.437 0.064 31 0 "[ . 1 . 2 . 3 . ]"
1 75 VAL 4.344 0.133 9 0 "[ . 1 . 2 . 3 . ]"
1 76 VAL 0.152 0.034 20 0 "[ . 1 . 2 . 3 . ]"
1 77 ILE 0.455 0.037 15 0 "[ . 1 . 2 . 3 . ]"
1 78 VAL 2.179 0.119 32 0 "[ . 1 . 2 . 3 . ]"
1 79 ILE 1.300 0.132 10 0 "[ . 1 . 2 . 3 . ]"
1 80 THR 0.801 0.132 10 0 "[ . 1 . 2 . 3 . ]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 86 ASP 0.596 0.053 32 0 "[ . 1 . 2 . 3 . ]"
1 87 THR 1.283 0.053 2 0 "[ . 1 . 2 . 3 . ]"
1 88 ALA 0.281 0.046 33 0 "[ . 1 . 2 . 3 . ]"
1 89 VAL 0.690 0.071 16 0 "[ . 1 . 2 . 3 . ]"
1 90 LYS 1.483 0.053 2 0 "[ . 1 . 2 . 3 . ]"
1 91 ALA 0.022 0.022 10 0 "[ . 1 . 2 . 3 . ]"
1 92 ILE 0.838 0.071 16 0 "[ . 1 . 2 . 3 . ]"
1 93 LYS 0.237 0.056 5 0 "[ . 1 . 2 . 3 . ]"
1 94 LYS 0.187 0.056 5 0 "[ . 1 . 2 . 3 . ]"
1 95 GLY 0.094 0.019 4 0 "[ . 1 . 2 . 3 . ]"
1 96 ALA 0.398 0.065 15 0 "[ . 1 . 2 . 3 . ]"
1 97 TYR 1.621 0.111 25 0 "[ . 1 . 2 . 3 . ]"
1 98 GLU 1.219 0.111 25 0 "[ . 1 . 2 . 3 . ]"
1 99 PHE 0.281 0.046 33 0 "[ . 1 . 2 . 3 . ]"
1 100 LEU 0.418 0.081 15 0 "[ . 1 . 2 . 3 . ]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 102 LYS 0.169 0.019 10 0 "[ . 1 . 2 . 3 . ]"
1 103 PRO 0.789 0.099 35 0 "[ . 1 . 2 . 3 . ]"
1 104 PHE 0.619 0.099 35 0 "[ . 1 . 2 . 3 . ]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 106 VAL 1.953 0.128 10 0 "[ . 1 . 2 . 3 . ]"
1 107 GLU 0.052 0.016 8 0 "[ . 1 . 2 . 3 . ]"
1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 109 PHE 0.884 0.158 7 0 "[ . 1 . 2 . 3 . ]"
1 110 LEU 1.475 0.068 25 0 "[ . 1 . 2 . 3 . ]"
1 111 LEU 1.052 0.036 11 0 "[ . 1 . 2 . 3 . ]"
1 112 THR 0.460 0.034 11 0 "[ . 1 . 2 . 3 . ]"
1 113 ILE 1.852 0.091 18 0 "[ . 1 . 2 . 3 . ]"
1 114 LYS 2.236 0.119 21 0 "[ . 1 . 2 . 3 . ]"
1 115 HIS 2.093 0.119 21 0 "[ . 1 . 2 . 3 . ]"
1 116 ALA 1.476 0.091 18 0 "[ . 1 . 2 . 3 . ]"
1 117 PHE 0.479 0.186 6 0 "[ . 1 . 2 . 3 . ]"
1 118 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . ]"
1 119 GLU 0.636 0.102 4 0 "[ . 1 . 2 . 3 . ]"
1 120 TYR 0.803 0.102 4 0 "[ . 1 . 2 . 3 . ]"
1 121 SER 0.082 0.018 18 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 2 LYS HA 1 2 LYS QB 2.600 . 2.600 2.387 2.282 2.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
2 1 2 LYS HA 1 2 LYS QD 3.400 . 3.400 2.519 1.965 3.131 . 0 0 "[ . 1 . 2 . 3 . ]" 1
3 1 2 LYS HA 1 2 LYS QG 3.400 . 3.400 2.645 2.044 3.082 . 0 0 "[ . 1 . 2 . 3 . ]" 1
4 1 2 LYS HA 1 3 ARG H 2.900 . 2.900 2.230 2.136 2.708 . 0 0 "[ . 1 . 2 . 3 . ]" 1
5 1 2 LYS QB 1 2 LYS QD 3.300 . 3.300 2.164 1.919 2.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1
6 1 2 LYS QB 1 26 TYR HA 4.100 . 4.100 2.665 2.111 3.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1
7 1 2 LYS HB2 1 2 LYS HD2 4.200 . 4.200 3.425 2.640 4.068 . 0 0 "[ . 1 . 2 . 3 . ]" 1
8 1 2 LYS HB2 1 2 LYS HD3 4.200 . 4.200 3.367 1.998 4.189 . 0 0 "[ . 1 . 2 . 3 . ]" 1
9 1 2 LYS HB2 1 26 TYR HA 5.000 . 5.000 3.120 2.161 4.547 . 0 0 "[ . 1 . 2 . 3 . ]" 1
10 1 2 LYS HB3 1 2 LYS HD2 4.200 . 4.200 2.846 1.956 4.107 . 0 0 "[ . 1 . 2 . 3 . ]" 1
11 1 2 LYS HB3 1 2 LYS HD3 4.200 . 4.200 3.193 2.297 3.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1
12 1 2 LYS HB3 1 26 TYR HA 5.000 . 5.000 3.278 2.181 4.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1
13 1 2 LYS QD 1 117 PHE QD 5.000 . 5.000 3.166 2.220 4.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1
14 1 2 LYS HD2 1 117 PHE HB2 6.800 . 6.800 4.463 2.838 6.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
15 1 2 LYS HD2 1 117 PHE HB3 6.800 . 6.800 3.957 2.633 6.286 . 0 0 "[ . 1 . 2 . 3 . ]" 1
16 1 2 LYS HD3 1 117 PHE HB2 6.800 . 6.800 4.885 3.248 6.302 . 0 0 "[ . 1 . 2 . 3 . ]" 1
17 1 2 LYS HD3 1 117 PHE HB3 6.800 . 6.800 4.107 2.186 5.686 . 0 0 "[ . 1 . 2 . 3 . ]" 1
18 1 2 LYS QE 1 117 PHE QB 5.000 . 5.000 3.103 1.991 4.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1
19 1 3 ARG H 1 3 ARG QB 3.700 . 3.700 2.991 2.568 3.429 . 0 0 "[ . 1 . 2 . 3 . ]" 1
20 1 3 ARG H 1 3 ARG QD 5.900 . 5.900 2.470 1.922 3.191 . 0 0 "[ . 1 . 2 . 3 . ]" 1
21 1 3 ARG H 1 3 ARG QG 4.200 . 4.200 3.157 2.299 3.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1
22 1 3 ARG H 1 47 PRO HG2 5.000 . 5.000 3.117 2.040 5.022 0.022 2 0 "[ . 1 . 2 . 3 . ]" 1
23 1 3 ARG H 1 47 PRO QG 5.900 . 5.900 2.768 2.011 4.499 . 0 0 "[ . 1 . 2 . 3 . ]" 1
24 1 3 ARG H 1 47 PRO HG3 5.000 . 5.000 3.293 2.315 5.078 0.078 2 0 "[ . 1 . 2 . 3 . ]" 1
25 1 3 ARG H 1 117 PHE QE 5.000 . 5.000 2.308 1.934 4.004 . 0 0 "[ . 1 . 2 . 3 . ]" 1
26 1 3 ARG HA 1 3 ARG QD 4.200 . 4.200 3.580 2.354 3.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1
27 1 3 ARG HA 1 3 ARG QG 3.700 . 3.700 2.746 2.299 3.406 . 0 0 "[ . 1 . 2 . 3 . ]" 1
28 1 3 ARG HA 1 4 VAL H 2.900 . 2.900 2.186 2.134 2.311 . 0 0 "[ . 1 . 2 . 3 . ]" 1
29 1 3 ARG HA 1 27 HIS H 5.000 . 5.000 2.030 1.785 2.465 0.015 21 0 "[ . 1 . 2 . 3 . ]" 1
30 1 3 ARG HA 1 27 HIS HB2 3.300 . 3.300 3.038 2.304 3.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1
31 1 3 ARG HA 1 27 HIS QB 2.800 . 2.800 2.553 2.217 2.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1
32 1 3 ARG HA 1 27 HIS HB3 3.300 . 3.300 2.797 2.507 3.164 . 0 0 "[ . 1 . 2 . 3 . ]" 1
33 1 3 ARG QB 1 27 HIS QB 5.800 . 5.800 2.137 1.643 2.981 0.157 14 0 "[ . 1 . 2 . 3 . ]" 1
34 1 3 ARG QB 1 47 PRO QD 6.800 . 6.800 2.943 2.090 3.972 . 0 0 "[ . 1 . 2 . 3 . ]" 1
35 1 3 ARG HB2 1 27 HIS HB2 6.800 . 6.800 4.389 2.759 5.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1
36 1 3 ARG HB2 1 27 HIS HB3 6.800 . 6.800 3.485 1.899 4.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1
37 1 3 ARG HB3 1 27 HIS HB2 6.800 . 6.800 3.302 1.892 4.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1
38 1 3 ARG HB3 1 27 HIS HB3 6.800 . 6.800 2.255 1.874 3.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
39 1 3 ARG QD 1 4 VAL H 5.900 . 5.900 5.089 4.350 5.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1
40 1 3 ARG QD 1 117 PHE QE 5.900 . 5.900 3.728 2.858 4.655 . 0 0 "[ . 1 . 2 . 3 . ]" 1
41 1 3 ARG QG 1 27 HIS QB 4.100 . 4.100 2.216 1.771 3.373 0.029 19 0 "[ . 1 . 2 . 3 . ]" 1
42 1 3 ARG HG2 1 27 HIS HB2 5.000 . 5.000 3.561 2.777 4.866 . 0 0 "[ . 1 . 2 . 3 . ]" 1
43 1 3 ARG HG2 1 27 HIS HB3 5.000 . 5.000 3.007 2.255 4.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1
44 1 3 ARG HG3 1 27 HIS HB2 5.000 . 5.000 2.656 1.972 4.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1
45 1 3 ARG HG3 1 27 HIS HB3 5.000 . 5.000 2.683 1.978 4.269 . 0 0 "[ . 1 . 2 . 3 . ]" 1
46 1 4 VAL H 1 4 VAL HB 3.300 . 3.300 2.729 2.574 2.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1
47 1 4 VAL H 1 5 LEU H 5.000 . 5.000 4.492 4.393 4.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1
48 1 4 VAL H 1 28 PRO HA 3.300 . 3.300 2.954 2.368 3.345 0.045 14 0 "[ . 1 . 2 . 3 . ]" 1
49 1 4 VAL H 1 28 PRO QB 5.000 . 5.000 4.262 3.516 4.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1
50 1 4 VAL H 1 29 ASP H 5.000 . 5.000 4.370 3.874 5.004 0.004 14 0 "[ . 1 . 2 . 3 . ]" 1
51 1 4 VAL H 1 117 PHE QE 5.000 . 5.000 4.683 3.861 4.859 . 0 0 "[ . 1 . 2 . 3 . ]" 1
52 1 4 VAL HA 1 5 LEU H 2.500 . 2.500 2.328 2.227 2.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1
53 1 4 VAL HA 1 48 VAL H 3.300 . 3.300 3.047 2.723 3.263 . 0 0 "[ . 1 . 2 . 3 . ]" 1
54 1 4 VAL HA 1 48 VAL HB 5.000 . 5.000 2.520 2.066 2.756 . 0 0 "[ . 1 . 2 . 3 . ]" 1
55 1 4 VAL HA 1 48 VAL MG1 5.000 . 5.000 3.992 3.613 4.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1
56 1 4 VAL HB 1 28 PRO HA 5.000 . 5.000 3.557 3.051 3.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1
57 1 4 VAL HB 1 29 ASP H 5.000 . 5.000 4.856 4.439 5.037 0.037 17 0 "[ . 1 . 2 . 3 . ]" 1
58 1 4 VAL MG1 1 5 LEU H 2.900 . 2.900 1.948 1.840 2.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1
59 1 4 VAL MG1 1 48 VAL MG2 5.000 . 5.000 3.333 3.205 3.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1
60 1 4 VAL MG2 1 5 LEU H 5.000 . 5.000 3.921 3.797 4.084 . 0 0 "[ . 1 . 2 . 3 . ]" 1
61 1 4 VAL MG2 1 26 TYR QE 5.000 . 5.000 3.416 2.658 4.034 . 0 0 "[ . 1 . 2 . 3 . ]" 1
62 1 4 VAL MG2 1 48 VAL HB 4.300 . 4.300 2.055 1.909 2.244 . 0 0 "[ . 1 . 2 . 3 . ]" 1
63 1 4 VAL MG2 1 48 VAL MG1 4.600 . 4.600 2.903 2.799 2.998 . 0 0 "[ . 1 . 2 . 3 . ]" 1
64 1 4 VAL MG2 1 48 VAL MG2 4.600 . 4.600 2.503 2.214 2.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1
65 1 4 VAL MG2 1 113 ILE MD 5.400 . 5.400 2.212 1.830 3.557 . 0 0 "[ . 1 . 2 . 3 . ]" 1
66 1 4 VAL MG2 1 113 ILE MG 4.600 . 4.600 2.455 1.899 2.909 . 0 0 "[ . 1 . 2 . 3 . ]" 1
67 1 4 VAL MG2 1 117 PHE QD 5.000 . 5.000 3.736 3.671 4.003 . 0 0 "[ . 1 . 2 . 3 . ]" 1
68 1 4 VAL O 1 29 ASP H 2.300 . 2.300 2.204 1.898 2.323 0.023 11 0 "[ . 1 . 2 . 3 . ]" 1
69 1 4 VAL O 1 29 ASP N 3.300 . 3.300 3.069 2.810 3.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1
70 1 5 LEU H 1 5 LEU HB2 3.300 . 3.300 2.897 2.580 3.094 . 0 0 "[ . 1 . 2 . 3 . ]" 1
71 1 5 LEU H 1 5 LEU HB3 3.300 . 3.300 2.590 2.466 2.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
72 1 5 LEU H 1 6 VAL H 5.000 . 5.000 4.443 4.286 4.519 . 0 0 "[ . 1 . 2 . 3 . ]" 1
73 1 5 LEU H 1 46 PHE QD 5.000 . 5.000 4.086 3.332 4.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
74 1 5 LEU H 1 48 VAL O 2.300 . 2.300 1.779 1.733 1.866 0.067 12 0 "[ . 1 . 2 . 3 . ]" 1
75 1 5 LEU H 1 49 ILE HA 2.900 . 2.900 2.674 2.293 2.934 0.034 20 0 "[ . 1 . 2 . 3 . ]" 1
76 1 5 LEU H 1 50 VAL H 5.000 . 5.000 3.906 3.487 4.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1
77 1 5 LEU HA 1 5 LEU MD1 3.500 . 3.500 2.036 1.854 2.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1
78 1 5 LEU HA 1 6 VAL H 2.900 . 2.900 2.172 2.135 2.239 . 0 0 "[ . 1 . 2 . 3 . ]" 1
79 1 5 LEU HA 1 29 ASP H 3.300 . 3.300 2.507 2.348 2.715 . 0 0 "[ . 1 . 2 . 3 . ]" 1
80 1 5 LEU HA 1 30 THR HA 5.000 . 5.000 4.192 3.800 4.885 . 0 0 "[ . 1 . 2 . 3 . ]" 1
81 1 5 LEU HA 1 50 VAL H 5.000 . 5.000 4.904 4.638 5.020 0.020 38 0 "[ . 1 . 2 . 3 . ]" 1
82 1 5 LEU QB 1 46 PHE QD 5.900 . 5.900 2.803 2.612 3.079 . 0 0 "[ . 1 . 2 . 3 . ]" 1
83 1 5 LEU QB 1 49 ILE MD 5.200 . 5.200 1.959 1.808 2.351 . 0 0 "[ . 1 . 2 . 3 . ]" 1
84 1 5 LEU QB 1 49 ILE MG 5.200 . 5.200 2.273 1.949 2.909 . 0 0 "[ . 1 . 2 . 3 . ]" 1
85 1 5 LEU MD1 1 6 VAL H 3.300 . 3.300 2.437 2.141 2.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1
86 1 5 LEU MD1 1 7 VAL MG2 7.100 . 7.100 3.344 3.003 3.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
87 1 5 LEU MD1 1 29 ASP H 5.000 . 5.000 3.106 2.794 3.421 . 0 0 "[ . 1 . 2 . 3 . ]" 1
88 1 5 LEU MD1 1 29 ASP HA 5.000 . 5.000 3.962 3.692 4.176 . 0 0 "[ . 1 . 2 . 3 . ]" 1
89 1 5 LEU MD1 1 29 ASP HB2 4.300 . 4.300 3.030 2.070 3.524 . 0 0 "[ . 1 . 2 . 3 . ]" 1
90 1 5 LEU MD1 1 29 ASP QB 3.900 . 3.900 1.862 1.767 2.104 0.133 26 0 "[ . 1 . 2 . 3 . ]" 1
91 1 5 LEU MD1 1 29 ASP HB3 4.300 . 4.300 1.891 1.791 2.121 0.009 4 0 "[ . 1 . 2 . 3 . ]" 1
92 1 5 LEU MD1 1 30 THR H 6.000 . 6.000 3.415 2.710 4.301 . 0 0 "[ . 1 . 2 . 3 . ]" 1
93 1 5 LEU MD1 1 30 THR HA 4.300 . 4.300 3.182 2.630 3.446 . 0 0 "[ . 1 . 2 . 3 . ]" 1
94 1 5 LEU MD1 1 31 ALA H 5.000 . 5.000 3.473 2.901 4.006 . 0 0 "[ . 1 . 2 . 3 . ]" 1
95 1 5 LEU MD1 1 31 ALA MB 5.400 . 5.400 2.663 1.954 3.386 . 0 0 "[ . 1 . 2 . 3 . ]" 1
96 1 5 LEU MD1 1 40 LYS QB 5.200 . 5.200 2.994 2.614 3.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1
97 1 5 LEU MD1 1 41 ILE QG 5.200 . 5.200 3.643 3.309 3.817 . 0 0 "[ . 1 . 2 . 3 . ]" 1
98 1 5 LEU MD1 1 46 PHE QE 3.300 . 3.300 2.537 2.043 2.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1
99 1 5 LEU MD1 1 46 PHE HZ 5.000 . 5.000 2.627 2.350 2.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1
100 1 5 LEU MD1 1 49 ILE MD 7.100 . 7.100 3.843 3.539 4.427 . 0 0 "[ . 1 . 2 . 3 . ]" 1
101 1 5 LEU MD2 1 6 VAL H 6.000 . 6.000 4.354 4.029 4.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1
102 1 5 LEU MD2 1 7 VAL MG1 7.100 . 7.100 4.349 3.938 4.744 . 0 0 "[ . 1 . 2 . 3 . ]" 1
103 1 5 LEU MD2 1 7 VAL MG2 4.600 . 4.600 2.476 2.114 2.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1
104 1 5 LEU MD2 1 31 ALA MB 7.100 . 7.100 3.223 2.615 3.931 . 0 0 "[ . 1 . 2 . 3 . ]" 1
105 1 5 LEU MD2 1 37 ALA HA 4.300 . 4.300 3.205 2.802 3.455 . 0 0 "[ . 1 . 2 . 3 . ]" 1
106 1 5 LEU MD2 1 37 ALA MB 5.400 . 5.400 2.568 2.111 2.995 . 0 0 "[ . 1 . 2 . 3 . ]" 1
107 1 5 LEU MD2 1 41 ILE H 5.000 . 5.000 3.998 3.499 4.166 . 0 0 "[ . 1 . 2 . 3 . ]" 1
108 1 5 LEU MD2 1 41 ILE MD 4.600 . 4.600 2.145 1.803 2.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1
109 1 5 LEU MD2 1 41 ILE HG12 4.300 . 4.300 2.264 1.909 2.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1
110 1 5 LEU MD2 1 41 ILE QG 3.900 . 3.900 2.044 1.771 2.361 0.129 23 0 "[ . 1 . 2 . 3 . ]" 1
111 1 5 LEU MD2 1 41 ILE HG13 4.300 . 4.300 2.362 1.953 2.698 . 0 0 "[ . 1 . 2 . 3 . ]" 1
112 1 5 LEU MD2 1 46 PHE QD 5.000 . 5.000 2.500 1.861 3.026 . 0 0 "[ . 1 . 2 . 3 . ]" 1
113 1 5 LEU MD2 1 46 PHE QE 5.000 . 5.000 2.845 1.957 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1
114 1 5 LEU MD2 1 49 ILE MD 5.400 . 5.400 1.968 1.810 2.466 . 0 0 "[ . 1 . 2 . 3 . ]" 1
115 1 5 LEU MD2 1 49 ILE MG 4.600 . 4.600 2.147 1.761 2.649 0.039 34 0 "[ . 1 . 2 . 3 . ]" 1
116 1 5 LEU HG 1 7 VAL MG2 4.300 . 4.300 2.420 2.056 2.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1
117 1 5 LEU N 1 48 VAL O 3.300 . 3.300 2.680 2.602 2.776 . 0 0 "[ . 1 . 2 . 3 . ]" 1
118 1 5 LEU O 1 50 VAL H 2.300 . 2.300 1.972 1.788 2.196 0.012 5 0 "[ . 1 . 2 . 3 . ]" 1
119 1 5 LEU O 1 50 VAL N 3.300 . 3.300 2.639 2.494 2.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1
120 1 6 VAL H 1 6 VAL HB 3.300 . 3.300 2.726 2.612 2.860 . 0 0 "[ . 1 . 2 . 3 . ]" 1
121 1 6 VAL H 1 6 VAL MG2 3.300 . 3.300 2.481 2.319 2.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1
122 1 6 VAL H 1 29 ASP H 3.300 . 3.300 3.317 3.094 3.384 0.084 30 0 "[ . 1 . 2 . 3 . ]" 1
123 1 6 VAL H 1 30 THR HA 3.300 . 3.300 2.277 1.928 2.970 . 0 0 "[ . 1 . 2 . 3 . ]" 1
124 1 6 VAL H 1 30 THR MG 6.000 . 6.000 3.352 2.895 4.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1
125 1 6 VAL HA 1 7 VAL H 2.900 . 2.900 2.230 2.150 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
126 1 6 VAL HA 1 50 VAL H 3.300 . 3.300 3.254 2.991 3.325 0.025 27 0 "[ . 1 . 2 . 3 . ]" 1
127 1 6 VAL HB 1 7 VAL H 5.000 . 5.000 4.278 3.766 4.445 . 0 0 "[ . 1 . 2 . 3 . ]" 1
128 1 6 VAL HB 1 14 THR MG 4.300 . 4.300 3.183 2.681 3.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1
129 1 6 VAL HB 1 17 LEU MD1 6.000 . 6.000 3.497 2.932 3.935 . 0 0 "[ . 1 . 2 . 3 . ]" 1
130 1 6 VAL HB 1 30 THR HA 3.300 . 3.300 2.178 1.927 2.472 . 0 0 "[ . 1 . 2 . 3 . ]" 1
131 1 6 VAL HB 1 30 THR MG 4.300 . 4.300 2.051 1.781 2.439 0.019 30 0 "[ . 1 . 2 . 3 . ]" 1
132 1 6 VAL HB 1 31 ALA H 5.000 . 5.000 3.731 3.394 4.049 . 0 0 "[ . 1 . 2 . 3 . ]" 1
133 1 6 VAL MG1 1 7 VAL H 4.300 . 4.300 3.133 2.165 3.482 . 0 0 "[ . 1 . 2 . 3 . ]" 1
134 1 6 VAL MG1 1 8 ASP HB2 4.300 . 4.300 3.134 2.718 3.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1
135 1 6 VAL MG1 1 8 ASP HB3 4.300 . 4.300 3.334 3.248 3.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1
136 1 6 VAL MG1 1 14 THR H 5.000 . 5.000 3.595 2.686 4.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1
137 1 6 VAL MG1 1 14 THR MG 4.600 . 4.600 1.977 1.649 2.636 0.151 28 0 "[ . 1 . 2 . 3 . ]" 1
138 1 6 VAL MG1 1 17 LEU MD1 4.600 . 4.600 2.289 1.901 2.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
139 1 6 VAL MG1 1 17 LEU MD2 7.100 . 7.100 4.268 4.069 4.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1
140 1 6 VAL MG1 1 17 LEU HG 4.300 . 4.300 3.291 2.954 3.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1
141 1 6 VAL MG2 1 17 LEU MD1 4.600 . 4.600 1.699 1.600 1.907 0.200 28 0 "[ . 1 . 2 . 3 . ]" 1
142 1 6 VAL MG2 1 17 LEU MD2 7.100 . 7.100 3.615 3.217 3.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1
143 1 6 VAL MG2 1 17 LEU HG 4.300 . 4.300 3.385 3.078 3.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
144 1 6 VAL MG2 1 28 PRO HA 6.000 . 6.000 3.685 3.239 4.147 . 0 0 "[ . 1 . 2 . 3 . ]" 1
145 1 6 VAL MG2 1 28 PRO QB 4.400 . 4.400 2.800 2.440 3.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
146 1 6 VAL MG2 1 28 PRO QG 6.900 . 6.900 4.274 3.885 4.857 . 0 0 "[ . 1 . 2 . 3 . ]" 1
147 1 6 VAL MG2 1 30 THR HA 4.300 . 4.300 3.407 3.097 3.595 . 0 0 "[ . 1 . 2 . 3 . ]" 1
148 1 6 VAL MG2 1 30 THR MG 4.600 . 4.600 2.363 1.902 2.921 . 0 0 "[ . 1 . 2 . 3 . ]" 1
149 1 7 VAL H 1 7 VAL HB 3.300 . 3.300 2.646 2.439 2.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1
150 1 7 VAL H 1 7 VAL MG2 3.500 . 3.500 2.326 2.031 2.802 . 0 0 "[ . 1 . 2 . 3 . ]" 1
151 1 7 VAL H 1 8 ASP H 5.000 . 5.000 4.321 4.106 4.468 . 0 0 "[ . 1 . 2 . 3 . ]" 1
152 1 7 VAL H 1 50 VAL O 2.300 . 2.300 1.986 1.768 2.338 0.038 17 0 "[ . 1 . 2 . 3 . ]" 1
153 1 7 VAL H 1 51 LEU HA 3.300 . 3.300 3.078 2.781 3.331 0.031 16 0 "[ . 1 . 2 . 3 . ]" 1
154 1 7 VAL H 1 51 LEU HB2 6.000 . 6.000 5.015 4.411 5.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1
155 1 7 VAL H 1 51 LEU QB 5.500 . 5.500 4.741 4.241 4.919 . 0 0 "[ . 1 . 2 . 3 . ]" 1
156 1 7 VAL H 1 51 LEU HB3 6.000 . 6.000 5.857 5.488 6.003 0.003 26 0 "[ . 1 . 2 . 3 . ]" 1
157 1 7 VAL HA 1 7 VAL MG2 3.300 . 3.300 2.441 2.313 2.554 . 0 0 "[ . 1 . 2 . 3 . ]" 1
158 1 7 VAL HA 1 8 ASP H 2.900 . 2.900 2.154 2.106 2.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1
159 1 7 VAL HA 1 14 THR MG 6.000 . 6.000 5.013 4.480 5.110 . 0 0 "[ . 1 . 2 . 3 . ]" 1
160 1 7 VAL HA 1 30 THR HB 5.000 . 5.000 4.945 4.463 5.052 0.052 28 0 "[ . 1 . 2 . 3 . ]" 1
161 1 7 VAL HA 1 31 ALA H 3.300 . 3.300 2.553 2.188 3.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
162 1 7 VAL HB 1 31 ALA MB 6.000 . 6.000 4.288 3.672 4.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1
163 1 7 VAL HB 1 34 LEU MD2 5.000 . 5.000 4.028 3.790 4.152 . 0 0 "[ . 1 . 2 . 3 . ]" 1
164 1 7 VAL HB 1 51 LEU HA 3.300 . 3.300 2.043 1.913 2.392 . 0 0 "[ . 1 . 2 . 3 . ]" 1
165 1 7 VAL HB 1 51 LEU MD1 3.500 . 3.500 2.076 1.811 2.515 . 0 0 "[ . 1 . 2 . 3 . ]" 1
166 1 7 VAL HB 1 52 ASP H 5.000 . 5.000 3.429 2.696 4.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1
167 1 7 VAL MG1 1 8 ASP H 5.000 . 5.000 2.906 2.564 3.303 . 0 0 "[ . 1 . 2 . 3 . ]" 1
168 1 7 VAL MG1 1 31 ALA MB 5.400 . 5.400 2.412 1.943 3.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1
169 1 7 VAL MG1 1 34 LEU HA 4.300 . 4.300 2.837 2.472 3.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1
170 1 7 VAL MG1 1 34 LEU MD2 4.600 . 4.600 2.727 2.412 2.916 . 0 0 "[ . 1 . 2 . 3 . ]" 1
171 1 7 VAL MG1 1 51 LEU HA 4.300 . 4.300 3.486 3.136 3.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
172 1 7 VAL MG2 1 31 ALA H 6.000 . 6.000 3.615 3.187 4.436 . 0 0 "[ . 1 . 2 . 3 . ]" 1
173 1 7 VAL MG2 1 31 ALA MB 5.400 . 5.400 2.271 1.798 2.900 0.002 17 0 "[ . 1 . 2 . 3 . ]" 1
174 1 7 VAL MG2 1 51 LEU HA 6.000 . 6.000 3.379 2.775 3.892 . 0 0 "[ . 1 . 2 . 3 . ]" 1
175 1 7 VAL N 1 50 VAL O 3.300 . 3.300 2.770 2.515 3.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1
176 1 8 ASP H 1 8 ASP QB 3.700 . 3.700 2.715 2.372 2.894 . 0 0 "[ . 1 . 2 . 3 . ]" 1
177 1 8 ASP H 1 9 ASP H 5.000 . 5.000 4.311 3.975 4.478 . 0 0 "[ . 1 . 2 . 3 . ]" 1
178 1 8 ASP H 1 31 ALA H 5.000 . 5.000 3.435 3.129 3.773 . 0 0 "[ . 1 . 2 . 3 . ]" 1
179 1 8 ASP H 1 31 ALA MB 6.000 . 6.000 3.616 2.959 4.720 . 0 0 "[ . 1 . 2 . 3 . ]" 1
180 1 8 ASP H 1 32 LYS HA 3.300 . 3.300 3.329 3.244 3.373 0.073 34 0 "[ . 1 . 2 . 3 . ]" 1
181 1 8 ASP H 1 32 LYS QG 5.900 . 5.900 5.184 4.898 5.327 . 0 0 "[ . 1 . 2 . 3 . ]" 1
182 1 8 ASP H 1 51 LEU MD1 6.000 . 6.000 4.647 4.302 4.915 . 0 0 "[ . 1 . 2 . 3 . ]" 1
183 1 8 ASP HA 1 9 ASP H 2.900 . 2.900 2.258 2.141 2.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1
184 1 8 ASP QB 1 14 THR MG 3.900 . 3.900 2.265 1.882 2.632 0.018 30 0 "[ . 1 . 2 . 3 . ]" 1
185 1 8 ASP HB2 1 14 THR MG 4.300 . 4.300 2.891 2.044 3.623 . 0 0 "[ . 1 . 2 . 3 . ]" 1
186 1 8 ASP HB3 1 14 THR MG 4.300 . 4.300 2.427 1.992 2.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1
187 1 9 ASP H 1 9 ASP HB2 3.300 . 3.300 2.673 2.490 2.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1
188 1 9 ASP H 1 9 ASP QB 3.700 . 3.700 2.296 2.225 2.348 . 0 0 "[ . 1 . 2 . 3 . ]" 1
189 1 9 ASP H 1 9 ASP HB3 3.300 . 3.300 2.511 2.376 2.693 . 0 0 "[ . 1 . 2 . 3 . ]" 1
190 1 9 ASP H 1 10 GLU H 3.300 . 3.300 3.207 2.569 3.370 0.070 20 0 "[ . 1 . 2 . 3 . ]" 1
191 1 9 ASP H 1 32 LYS HA 5.000 . 5.000 5.006 4.780 5.069 0.069 20 0 "[ . 1 . 2 . 3 . ]" 1
192 1 9 ASP H 1 54 TRP H 3.300 . 3.300 3.313 3.115 3.359 0.059 19 0 "[ . 1 . 2 . 3 . ]" 1
193 1 9 ASP HA 1 54 TRP QB 5.900 . 5.900 4.746 4.503 5.088 . 0 0 "[ . 1 . 2 . 3 . ]" 1
194 1 9 ASP QB 1 56 PRO QB 5.000 . 5.000 2.491 1.861 3.772 . 0 0 "[ . 1 . 2 . 3 . ]" 1
195 1 9 ASP HB2 1 56 PRO HG2 5.000 . 5.000 4.193 3.106 5.012 0.012 4 0 "[ . 1 . 2 . 3 . ]" 1
196 1 9 ASP HB2 1 56 PRO HG3 5.000 . 5.000 2.790 1.961 4.244 . 0 0 "[ . 1 . 2 . 3 . ]" 1
197 1 9 ASP HB3 1 56 PRO HG2 5.000 . 5.000 4.960 4.412 5.041 0.041 7 0 "[ . 1 . 2 . 3 . ]" 1
198 1 9 ASP HB3 1 56 PRO HG3 5.000 . 5.000 3.591 3.259 4.437 . 0 0 "[ . 1 . 2 . 3 . ]" 1
199 1 10 GLU H 1 10 GLU QB 3.700 . 3.700 2.622 2.081 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1
200 1 12 SER HA 1 12 SER QB 2.600 . 2.600 2.262 2.162 2.356 . 0 0 "[ . 1 . 2 . 3 . ]" 1
201 1 13 ILE H 1 13 ILE HB 3.300 . 3.300 2.930 2.293 3.557 0.257 28 0 "[ . 1 . 2 . 3 . ]" 1
202 1 13 ILE H 1 13 ILE QG 4.200 . 4.200 2.443 1.850 3.651 . 0 0 "[ . 1 . 2 . 3 . ]" 1
203 1 13 ILE H 1 14 THR H 5.000 . 5.000 3.769 1.981 4.659 . 0 0 "[ . 1 . 2 . 3 . ]" 1
204 1 13 ILE HA 1 13 ILE MD 3.500 . 3.500 2.255 1.953 2.846 . 0 0 "[ . 1 . 2 . 3 . ]" 1
205 1 13 ILE HB 1 14 THR H 3.300 . 3.300 3.090 2.205 3.459 0.159 20 0 "[ . 1 . 2 . 3 . ]" 1
206 1 13 ILE MD 1 17 LEU QB 6.900 . 6.900 4.517 2.849 5.157 . 0 0 "[ . 1 . 2 . 3 . ]" 1
207 1 13 ILE MG 1 14 THR H 4.300 . 4.300 2.385 1.743 3.569 0.057 20 0 "[ . 1 . 2 . 3 . ]" 1
208 1 13 ILE MG 1 14 THR HA 5.000 . 5.000 3.744 2.876 4.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1
209 1 13 ILE MG 1 17 LEU H 5.000 . 5.000 3.556 2.204 4.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1
210 1 13 ILE MG 1 17 LEU HB2 4.300 . 4.300 2.849 1.786 3.574 0.014 26 0 "[ . 1 . 2 . 3 . ]" 1
211 1 13 ILE MG 1 17 LEU QB 3.900 . 3.900 2.303 1.685 3.011 0.215 2 0 "[ . 1 . 2 . 3 . ]" 1
212 1 13 ILE MG 1 17 LEU HB3 4.300 . 4.300 2.511 1.908 3.345 . 0 0 "[ . 1 . 2 . 3 . ]" 1
213 1 13 ILE MG 1 17 LEU MD1 7.100 . 7.100 3.076 2.220 4.044 . 0 0 "[ . 1 . 2 . 3 . ]" 1
214 1 13 ILE MG 1 18 SER H 5.000 . 5.000 3.120 2.092 4.036 . 0 0 "[ . 1 . 2 . 3 . ]" 1
215 1 14 THR H 1 14 THR MG 3.300 . 3.300 2.296 1.942 2.621 . 0 0 "[ . 1 . 2 . 3 . ]" 1
216 1 14 THR H 1 15 SER H 5.000 . 5.000 3.836 2.680 4.600 . 0 0 "[ . 1 . 2 . 3 . ]" 1
217 1 14 THR HA 1 14 THR MG 3.300 . 3.300 2.409 2.252 2.638 . 0 0 "[ . 1 . 2 . 3 . ]" 1
218 1 14 THR HA 1 17 LEU QB 5.900 . 5.900 4.024 2.958 5.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
219 1 14 THR MG 1 17 LEU QB 6.900 . 6.900 4.024 3.485 4.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1
220 1 15 SER H 1 15 SER QB 3.700 . 3.700 2.349 2.099 2.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1
221 1 15 SER HA 1 18 SER QB 5.900 . 5.900 4.475 3.006 5.362 . 0 0 "[ . 1 . 2 . 3 . ]" 1
222 1 15 SER QB 1 16 SER H 4.200 . 4.200 3.125 2.031 3.889 . 0 0 "[ . 1 . 2 . 3 . ]" 1
223 1 16 SER H 1 17 LEU H 5.000 . 5.000 2.773 2.203 3.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1
224 1 16 SER HA 1 16 SER QB 2.600 . 2.600 2.291 2.166 2.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1
225 1 16 SER HA 1 18 SER H 5.000 . 5.000 4.714 3.912 4.988 . 0 0 "[ . 1 . 2 . 3 . ]" 1
226 1 16 SER HA 1 19 ALA MB 4.300 . 4.300 3.130 2.508 3.461 . 0 0 "[ . 1 . 2 . 3 . ]" 1
227 1 16 SER QB 1 17 LEU H 4.200 . 4.200 2.881 2.066 3.636 . 0 0 "[ . 1 . 2 . 3 . ]" 1
228 1 17 LEU H 1 17 LEU HB2 3.300 . 3.300 2.290 2.025 2.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1
229 1 17 LEU H 1 17 LEU QB 2.800 . 2.800 2.151 2.005 2.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1
230 1 17 LEU H 1 17 LEU HB3 3.300 . 3.300 2.883 2.326 3.320 0.020 11 0 "[ . 1 . 2 . 3 . ]" 1
231 1 17 LEU H 1 17 LEU MD2 5.000 . 5.000 3.843 3.186 4.112 . 0 0 "[ . 1 . 2 . 3 . ]" 1
232 1 17 LEU H 1 17 LEU HG 5.000 . 5.000 4.264 3.730 4.631 . 0 0 "[ . 1 . 2 . 3 . ]" 1
233 1 17 LEU H 1 18 SER H 3.300 . 3.300 2.755 2.392 3.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
234 1 17 LEU HA 1 17 LEU MD1 4.300 . 4.300 3.470 3.070 3.719 . 0 0 "[ . 1 . 2 . 3 . ]" 1
235 1 17 LEU HA 1 17 LEU MD2 3.500 . 3.500 1.885 1.745 2.187 0.055 18 0 "[ . 1 . 2 . 3 . ]" 1
236 1 17 LEU HA 1 20 ILE HB 2.500 . 2.500 2.515 2.205 2.560 0.060 21 0 "[ . 1 . 2 . 3 . ]" 1
237 1 17 LEU HA 1 20 ILE MD 3.500 . 3.500 2.377 1.794 2.761 0.006 24 0 "[ . 1 . 2 . 3 . ]" 1
238 1 17 LEU HA 1 21 LEU H 5.000 . 5.000 3.799 3.339 4.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
239 1 17 LEU HA 1 106 VAL MG1 5.000 . 5.000 3.713 2.144 4.067 . 0 0 "[ . 1 . 2 . 3 . ]" 1
240 1 17 LEU QB 1 18 SER H 4.100 . 4.100 2.384 2.088 2.625 . 0 0 "[ . 1 . 2 . 3 . ]" 1
241 1 17 LEU HB2 1 18 SER H 5.000 . 5.000 3.369 2.878 3.997 . 0 0 "[ . 1 . 2 . 3 . ]" 1
242 1 17 LEU HB3 1 18 SER H 5.000 . 5.000 2.468 2.107 2.901 . 0 0 "[ . 1 . 2 . 3 . ]" 1
243 1 17 LEU MD1 1 21 LEU MD1 7.100 . 7.100 1.808 1.644 3.275 0.156 21 0 "[ . 1 . 2 . 3 . ]" 1
244 1 17 LEU MD2 1 20 ILE HB 4.300 . 4.300 2.693 2.118 3.137 . 0 0 "[ . 1 . 2 . 3 . ]" 1
245 1 17 LEU MD2 1 20 ILE MD 4.600 . 4.600 2.706 2.284 2.923 . 0 0 "[ . 1 . 2 . 3 . ]" 1
246 1 17 LEU MD2 1 20 ILE MG 7.100 . 7.100 2.982 2.594 3.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1
247 1 17 LEU MD2 1 21 LEU MD1 4.600 . 4.600 2.180 1.764 2.805 0.036 8 0 "[ . 1 . 2 . 3 . ]" 1
248 1 17 LEU MD2 1 106 VAL MG2 4.600 . 4.600 1.846 1.672 2.442 0.128 10 0 "[ . 1 . 2 . 3 . ]" 1
249 1 17 LEU MD2 1 109 PHE QD 5.000 . 5.000 2.597 2.025 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
250 1 17 LEU MD2 1 109 PHE QE 5.000 . 5.000 2.122 1.890 3.134 . 0 0 "[ . 1 . 2 . 3 . ]" 1
251 1 17 LEU HG 1 18 SER H 5.000 . 5.000 4.851 4.291 5.019 0.019 20 0 "[ . 1 . 2 . 3 . ]" 1
252 1 17 LEU HG 1 106 VAL MG2 4.300 . 4.300 3.262 2.566 3.565 . 0 0 "[ . 1 . 2 . 3 . ]" 1
253 1 18 SER H 1 18 SER HA 2.900 . 2.900 2.743 2.682 2.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1
254 1 18 SER H 1 18 SER QB 3.700 . 3.700 2.256 2.080 2.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1
255 1 18 SER H 1 19 ALA H 3.300 . 3.300 2.995 2.749 3.250 . 0 0 "[ . 1 . 2 . 3 . ]" 1
256 1 18 SER H 1 21 LEU MD1 6.000 . 6.000 3.557 3.046 3.958 . 0 0 "[ . 1 . 2 . 3 . ]" 1
257 1 18 SER HA 1 21 LEU HB2 5.000 . 5.000 3.642 3.124 5.146 0.146 30 0 "[ . 1 . 2 . 3 . ]" 1
258 1 18 SER HA 1 21 LEU HB3 5.000 . 5.000 4.803 3.714 5.038 0.038 27 0 "[ . 1 . 2 . 3 . ]" 1
259 1 18 SER HA 1 21 LEU MD1 4.300 . 4.300 2.301 1.687 2.799 0.113 30 0 "[ . 1 . 2 . 3 . ]" 1
260 1 18 SER QB 1 19 ALA H 4.200 . 4.200 2.389 1.958 3.313 . 0 0 "[ . 1 . 2 . 3 . ]" 1
261 1 18 SER O 1 22 GLU H 2.300 . 2.300 2.114 1.777 2.370 0.070 26 0 "[ . 1 . 2 . 3 . ]" 1
262 1 18 SER O 1 22 GLU N 3.300 . 3.300 2.950 2.642 3.228 . 0 0 "[ . 1 . 2 . 3 . ]" 1
263 1 19 ALA H 1 19 ALA MB 3.300 . 3.300 2.143 2.016 2.234 . 0 0 "[ . 1 . 2 . 3 . ]" 1
264 1 19 ALA H 1 20 ILE H 3.300 . 3.300 2.736 2.524 2.894 . 0 0 "[ . 1 . 2 . 3 . ]" 1
265 1 19 ALA H 1 20 ILE HB 5.000 . 5.000 4.788 4.575 4.982 . 0 0 "[ . 1 . 2 . 3 . ]" 1
266 1 19 ALA HA 1 22 GLU QB 3.400 . 3.400 2.591 2.342 2.937 . 0 0 "[ . 1 . 2 . 3 . ]" 1
267 1 19 ALA MB 1 20 ILE H 3.300 . 3.300 2.603 2.340 2.704 . 0 0 "[ . 1 . 2 . 3 . ]" 1
268 1 20 ILE H 1 20 ILE HB 2.900 . 2.900 2.356 2.229 2.448 . 0 0 "[ . 1 . 2 . 3 . ]" 1
269 1 20 ILE H 1 20 ILE MD 5.000 . 5.000 3.362 1.972 3.741 . 0 0 "[ . 1 . 2 . 3 . ]" 1
270 1 20 ILE H 1 20 ILE HG12 5.000 . 5.000 3.794 3.553 4.207 . 0 0 "[ . 1 . 2 . 3 . ]" 1
271 1 20 ILE H 1 20 ILE QG 4.100 . 4.100 2.470 2.180 3.197 . 0 0 "[ . 1 . 2 . 3 . ]" 1
272 1 20 ILE H 1 20 ILE HG13 5.000 . 5.000 2.506 2.200 3.327 . 0 0 "[ . 1 . 2 . 3 . ]" 1
273 1 20 ILE H 1 21 LEU H 3.300 . 3.300 2.966 2.831 3.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1
274 1 20 ILE HA 1 20 ILE HG12 3.300 . 3.300 2.633 2.384 3.343 0.043 26 0 "[ . 1 . 2 . 3 . ]" 1
275 1 20 ILE HA 1 20 ILE HG13 3.300 . 3.300 2.642 2.108 2.913 . 0 0 "[ . 1 . 2 . 3 . ]" 1
276 1 20 ILE HA 1 23 GLU H 3.300 . 3.300 3.346 3.326 3.371 0.071 8 0 "[ . 1 . 2 . 3 . ]" 1
277 1 20 ILE HA 1 23 GLU QB 3.400 . 3.400 2.754 2.538 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1
278 1 20 ILE HB 1 20 ILE QG 2.600 . 2.600 2.420 2.353 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
279 1 20 ILE HB 1 21 LEU H 5.000 . 5.000 2.224 1.998 2.567 . 0 0 "[ . 1 . 2 . 3 . ]" 1
280 1 20 ILE MD 1 106 VAL HA 6.000 . 6.000 4.484 4.019 4.954 . 0 0 "[ . 1 . 2 . 3 . ]" 1
281 1 20 ILE MD 1 106 VAL HB 6.000 . 6.000 3.656 2.626 4.232 . 0 0 "[ . 1 . 2 . 3 . ]" 1
282 1 20 ILE MG 1 21 LEU H 3.300 . 3.300 2.557 2.481 2.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1
283 1 20 ILE MG 1 24 GLU H 5.000 . 5.000 3.908 3.554 4.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1
284 1 20 ILE MG 1 107 GLU HA 5.000 . 5.000 3.919 3.849 4.068 . 0 0 "[ . 1 . 2 . 3 . ]" 1
285 1 20 ILE O 1 24 GLU H 2.300 . 2.300 2.069 1.829 2.315 0.015 21 0 "[ . 1 . 2 . 3 . ]" 1
286 1 20 ILE O 1 24 GLU N 3.300 . 3.300 2.985 2.769 3.198 . 0 0 "[ . 1 . 2 . 3 . ]" 1
287 1 21 LEU H 1 21 LEU MD1 3.300 . 3.300 2.623 2.367 2.746 . 0 0 "[ . 1 . 2 . 3 . ]" 1
288 1 21 LEU H 1 21 LEU MD2 5.000 . 5.000 3.604 2.186 4.088 . 0 0 "[ . 1 . 2 . 3 . ]" 1
289 1 21 LEU H 1 23 GLU H 5.000 . 5.000 4.189 4.057 4.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1
290 1 21 LEU HA 1 21 LEU MD2 3.500 . 3.500 2.850 2.735 3.149 . 0 0 "[ . 1 . 2 . 3 . ]" 1
291 1 21 LEU HA 1 24 GLU QB 3.400 . 3.400 2.614 2.384 3.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1
292 1 21 LEU HA 1 26 TYR QD 5.000 . 5.000 2.982 1.975 4.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1
293 1 21 LEU QB 1 22 GLU H 5.900 . 5.900 2.888 2.523 3.866 . 0 0 "[ . 1 . 2 . 3 . ]" 1
294 1 21 LEU QB 1 28 PRO QG 5.000 . 5.000 2.456 1.779 3.974 0.021 21 0 "[ . 1 . 2 . 3 . ]" 1
295 1 21 LEU HB2 1 28 PRO HG2 6.800 . 6.800 4.138 2.434 6.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1
296 1 21 LEU HB2 1 28 PRO HG3 6.800 . 6.800 2.686 1.908 4.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
297 1 21 LEU HB3 1 28 PRO HG2 6.800 . 6.800 4.641 3.514 6.133 . 0 0 "[ . 1 . 2 . 3 . ]" 1
298 1 21 LEU HB3 1 28 PRO HG3 6.800 . 6.800 3.104 2.137 4.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1
299 1 21 LEU MD1 1 22 GLU H 5.000 . 5.000 3.786 1.926 4.069 . 0 0 "[ . 1 . 2 . 3 . ]" 1
300 1 21 LEU MD1 1 28 PRO HA 6.000 . 6.000 4.007 3.516 4.977 . 0 0 "[ . 1 . 2 . 3 . ]" 1
301 1 21 LEU MD1 1 28 PRO QB 4.400 . 4.400 2.161 1.760 2.952 0.040 3 0 "[ . 1 . 2 . 3 . ]" 1
302 1 21 LEU MD1 1 28 PRO HG2 4.300 . 4.300 3.179 2.176 3.462 . 0 0 "[ . 1 . 2 . 3 . ]" 1
303 1 21 LEU MD1 1 28 PRO HG3 4.300 . 4.300 2.090 1.697 2.554 0.103 14 0 "[ . 1 . 2 . 3 . ]" 1
304 1 21 LEU MD2 1 26 TYR HB2 6.000 . 6.000 2.558 1.725 3.850 0.075 24 0 "[ . 1 . 2 . 3 . ]" 1
305 1 21 LEU MD2 1 26 TYR QB 5.200 . 5.200 2.400 1.708 3.699 0.092 24 0 "[ . 1 . 2 . 3 . ]" 1
306 1 21 LEU MD2 1 26 TYR HB3 6.000 . 6.000 2.987 2.236 4.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
307 1 22 GLU H 1 22 GLU QB 3.400 . 3.400 2.202 2.064 2.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1
308 1 22 GLU H 1 22 GLU QG 4.200 . 4.200 3.143 2.372 3.908 . 0 0 "[ . 1 . 2 . 3 . ]" 1
309 1 22 GLU H 1 23 GLU H 3.300 . 3.300 2.506 2.228 2.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1
310 1 22 GLU HA 1 22 GLU QB 2.600 . 2.600 2.460 2.381 2.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1
311 1 22 GLU HA 1 22 GLU HG2 3.300 . 3.300 2.439 2.110 3.302 0.002 2 0 "[ . 1 . 2 . 3 . ]" 1
312 1 22 GLU HA 1 22 GLU HG3 3.300 . 3.300 2.853 2.104 3.307 0.007 37 0 "[ . 1 . 2 . 3 . ]" 1
313 1 22 GLU QB 1 23 GLU H 3.800 . 3.800 2.890 2.794 2.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1
314 1 23 GLU H 1 23 GLU QB 3.400 . 3.400 2.192 2.182 2.200 . 0 0 "[ . 1 . 2 . 3 . ]" 1
315 1 23 GLU H 1 23 GLU QG 4.200 . 4.200 3.855 3.847 3.870 . 0 0 "[ . 1 . 2 . 3 . ]" 1
316 1 23 GLU H 1 24 GLU H 2.900 . 2.900 2.356 2.314 2.416 . 0 0 "[ . 1 . 2 . 3 . ]" 1
317 1 23 GLU H 1 24 GLU HA 5.000 . 5.000 5.025 5.003 5.052 0.052 33 0 "[ . 1 . 2 . 3 . ]" 1
318 1 23 GLU HA 1 23 GLU QB 2.600 . 2.600 2.280 2.275 2.292 . 0 0 "[ . 1 . 2 . 3 . ]" 1
319 1 23 GLU HA 1 23 GLU QG 3.400 . 3.400 2.620 2.581 2.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1
320 1 23 GLU QB 1 24 GLU H 3.400 . 3.400 2.750 2.633 2.787 . 0 0 "[ . 1 . 2 . 3 . ]" 1
321 1 23 GLU QG 1 24 GLU H 3.800 . 3.800 3.456 3.260 3.479 . 0 0 "[ . 1 . 2 . 3 . ]" 1
322 1 23 GLU QG 1 24 GLU HA 4.200 . 4.200 3.536 3.326 3.574 . 0 0 "[ . 1 . 2 . 3 . ]" 1
323 1 24 GLU H 1 24 GLU QB 3.300 . 3.300 2.271 2.039 2.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1
324 1 24 GLU HA 1 24 GLU QB 2.600 . 2.600 2.434 2.321 2.526 . 0 0 "[ . 1 . 2 . 3 . ]" 1
325 1 24 GLU QB 1 25 GLY H 4.100 . 4.100 2.757 1.944 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1
326 1 24 GLU QB 1 26 TYR QD 5.900 . 5.900 2.247 1.828 3.336 . 0 0 "[ . 1 . 2 . 3 . ]" 1
327 1 24 GLU QB 1 26 TYR QE 4.100 . 4.100 2.242 1.836 3.478 . 0 0 "[ . 1 . 2 . 3 . ]" 1
328 1 24 GLU QB 1 110 LEU MD1 6.900 . 6.900 3.838 2.711 4.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1
329 1 24 GLU HB2 1 25 GLY H 5.000 . 5.000 3.005 1.976 3.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1
330 1 24 GLU HB2 1 26 TYR QE 5.000 . 5.000 3.154 2.294 4.267 . 0 0 "[ . 1 . 2 . 3 . ]" 1
331 1 24 GLU HB3 1 25 GLY H 5.000 . 5.000 3.481 1.964 4.234 . 0 0 "[ . 1 . 2 . 3 . ]" 1
332 1 24 GLU HB3 1 26 TYR QE 5.000 . 5.000 2.331 1.843 3.745 . 0 0 "[ . 1 . 2 . 3 . ]" 1
333 1 24 GLU QG 1 26 TYR QD 8.000 . 8.000 3.748 2.856 4.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1
334 1 24 GLU QG 1 26 TYR QE 5.900 . 5.900 3.059 1.990 4.300 . 0 0 "[ . 1 . 2 . 3 . ]" 1
335 1 24 GLU QG 1 110 LEU MD1 4.400 . 4.400 2.464 1.815 3.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1
336 1 25 GLY H 1 25 GLY QA 2.600 . 2.600 2.288 2.245 2.450 . 0 0 "[ . 1 . 2 . 3 . ]" 1
337 1 25 GLY H 1 25 GLY HA3 2.900 . 2.900 2.894 2.367 2.940 0.040 26 0 "[ . 1 . 2 . 3 . ]" 1
338 1 25 GLY H 1 26 TYR H 2.900 . 2.900 2.392 1.985 2.919 0.019 33 0 "[ . 1 . 2 . 3 . ]" 1
339 1 25 GLY H 1 26 TYR QD 5.000 . 5.000 3.538 2.181 4.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1
340 1 26 TYR H 1 27 HIS H 5.000 . 5.000 4.404 4.329 4.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1
341 1 26 TYR HB2 1 27 HIS H 3.300 . 3.300 3.285 2.990 3.339 0.039 1 0 "[ . 1 . 2 . 3 . ]" 1
342 1 26 TYR HB3 1 27 HIS H 3.300 . 3.300 1.900 1.832 2.009 . 0 0 "[ . 1 . 2 . 3 . ]" 1
343 1 26 TYR QD 1 113 ILE MG 5.000 . 5.000 3.448 2.757 3.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1
344 1 26 TYR QE 1 113 ILE MG 5.000 . 5.000 2.452 1.825 3.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1
345 1 26 TYR QE 1 117 PHE QE 5.000 . 5.000 2.686 1.968 3.845 . 0 0 "[ . 1 . 2 . 3 . ]" 1
346 1 27 HIS H 1 27 HIS HB2 3.300 . 3.300 2.726 2.479 2.916 . 0 0 "[ . 1 . 2 . 3 . ]" 1
347 1 27 HIS H 1 27 HIS QB 3.700 . 3.700 2.577 2.413 2.738 . 0 0 "[ . 1 . 2 . 3 . ]" 1
348 1 27 HIS H 1 27 HIS HB3 3.300 . 3.300 3.208 2.993 3.359 0.059 20 0 "[ . 1 . 2 . 3 . ]" 1
349 1 27 HIS HA 1 28 PRO HD2 2.500 . 2.500 2.292 2.056 2.556 0.056 21 0 "[ . 1 . 2 . 3 . ]" 1
350 1 27 HIS HA 1 28 PRO QD 3.200 . 3.200 2.101 1.945 2.263 . 0 0 "[ . 1 . 2 . 3 . ]" 1
351 1 27 HIS HA 1 28 PRO HD3 2.500 . 2.500 2.484 2.028 2.541 0.041 23 0 "[ . 1 . 2 . 3 . ]" 1
352 1 28 PRO HA 1 29 ASP H 2.900 . 2.900 2.155 2.107 2.228 . 0 0 "[ . 1 . 2 . 3 . ]" 1
353 1 28 PRO HA 1 29 ASP HA 5.000 . 5.000 4.379 4.352 4.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1
354 1 28 PRO QB 1 29 ASP H 4.000 . 4.000 3.167 2.791 3.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1
355 1 29 ASP H 1 29 ASP HB2 3.300 . 3.300 2.775 2.278 3.298 . 0 0 "[ . 1 . 2 . 3 . ]" 1
356 1 29 ASP H 1 29 ASP HB3 3.300 . 3.300 2.966 2.587 3.327 0.027 38 0 "[ . 1 . 2 . 3 . ]" 1
357 1 29 ASP HA 1 29 ASP QB 2.600 . 2.600 2.444 2.338 2.532 . 0 0 "[ . 1 . 2 . 3 . ]" 1
358 1 29 ASP HA 1 30 THR H 2.900 . 2.900 2.845 2.159 3.267 0.367 32 0 "[ . 1 . 2 . 3 . ]" 1
359 1 29 ASP HA 1 30 THR MG 6.000 . 6.000 3.943 3.412 4.315 . 0 0 "[ . 1 . 2 . 3 . ]" 1
360 1 29 ASP HB2 1 30 THR H 5.000 . 5.000 4.169 3.752 4.634 . 0 0 "[ . 1 . 2 . 3 . ]" 1
361 1 29 ASP HB2 1 46 PHE QE 3.300 . 3.300 2.272 1.910 3.237 . 0 0 "[ . 1 . 2 . 3 . ]" 1
362 1 29 ASP HB3 1 30 THR H 5.000 . 5.000 3.803 3.311 4.370 . 0 0 "[ . 1 . 2 . 3 . ]" 1
363 1 29 ASP HB3 1 46 PHE QE 3.300 . 3.300 2.743 2.151 3.355 0.055 5 0 "[ . 1 . 2 . 3 . ]" 1
364 1 30 THR H 1 30 THR MG 3.300 . 3.300 2.240 1.927 2.704 . 0 0 "[ . 1 . 2 . 3 . ]" 1
365 1 30 THR HA 1 30 THR HB 2.500 . 2.500 2.389 2.311 2.502 0.002 19 0 "[ . 1 . 2 . 3 . ]" 1
366 1 30 THR HA 1 31 ALA H 2.900 . 2.900 2.183 2.088 2.521 . 0 0 "[ . 1 . 2 . 3 . ]" 1
367 1 30 THR HA 1 31 ALA MB 6.000 . 6.000 3.878 3.668 3.988 . 0 0 "[ . 1 . 2 . 3 . ]" 1
368 1 30 THR HB 1 31 ALA H 3.300 . 3.300 3.043 2.055 3.352 0.052 27 0 "[ . 1 . 2 . 3 . ]" 1
369 1 30 THR HB 1 31 ALA MB 6.500 . 6.500 4.885 4.359 5.073 . 0 0 "[ . 1 . 2 . 3 . ]" 1
370 1 30 THR MG 1 31 ALA H 5.000 . 5.000 4.022 3.443 4.224 . 0 0 "[ . 1 . 2 . 3 . ]" 1
371 1 31 ALA H 1 31 ALA MB 3.300 . 3.300 2.461 2.262 2.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
372 1 31 ALA MB 1 32 LYS H 4.300 . 4.300 2.218 1.804 3.101 . 0 0 "[ . 1 . 2 . 3 . ]" 1
373 1 31 ALA MB 1 36 GLU QB 5.200 . 5.200 2.644 1.930 3.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1
374 1 31 ALA MB 1 36 GLU QG 5.900 . 5.900 3.800 2.926 4.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1
375 1 31 ALA MB 1 37 ALA HA 3.500 . 3.500 2.478 2.032 2.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1
376 1 32 LYS H 1 32 LYS QB 3.700 . 3.700 2.687 2.053 3.026 . 0 0 "[ . 1 . 2 . 3 . ]" 1
377 1 32 LYS H 1 32 LYS QG 4.200 . 4.200 2.531 1.766 3.891 0.034 35 0 "[ . 1 . 2 . 3 . ]" 1
378 1 32 LYS H 1 33 THR H 5.000 . 5.000 2.397 1.800 4.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1
379 1 32 LYS HA 1 32 LYS HG2 3.300 . 3.300 2.905 2.259 3.368 0.068 2 0 "[ . 1 . 2 . 3 . ]" 1
380 1 32 LYS HA 1 32 LYS HG3 3.300 . 3.300 3.215 2.620 3.382 0.082 35 0 "[ . 1 . 2 . 3 . ]" 1
381 1 32 LYS QB 1 32 LYS QG 2.500 . 2.500 2.082 2.067 2.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1
382 1 32 LYS QB 1 33 THR H 4.100 . 4.100 2.756 1.884 3.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1
383 1 32 LYS HB2 1 33 THR H 5.000 . 5.000 3.158 2.579 4.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1
384 1 32 LYS HB3 1 33 THR H 5.000 . 5.000 3.596 1.920 4.514 . 0 0 "[ . 1 . 2 . 3 . ]" 1
385 1 32 LYS QG 1 33 THR H 5.900 . 5.900 3.627 2.457 3.965 . 0 0 "[ . 1 . 2 . 3 . ]" 1
386 1 32 LYS QG 1 36 GLU QB 4.200 . 4.200 3.069 2.757 3.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1
387 1 33 THR H 1 36 GLU H 5.000 . 5.000 3.559 3.168 4.364 . 0 0 "[ . 1 . 2 . 3 . ]" 1
388 1 33 THR H 1 37 ALA H 5.000 . 5.000 3.696 3.130 5.063 0.063 22 0 "[ . 1 . 2 . 3 . ]" 1
389 1 33 THR HA 1 35 ARG H 5.000 . 5.000 4.500 3.979 4.987 . 0 0 "[ . 1 . 2 . 3 . ]" 1
390 1 33 THR HB 1 34 LEU H 3.300 . 3.300 2.435 1.896 3.366 0.066 27 0 "[ . 1 . 2 . 3 . ]" 1
391 1 33 THR HB 1 35 ARG H 5.000 . 5.000 2.738 2.211 4.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1
392 1 33 THR O 1 37 ALA H 2.300 . 2.300 1.914 1.775 2.306 0.025 20 0 "[ . 1 . 2 . 3 . ]" 1
393 1 33 THR O 1 37 ALA N 3.300 . 3.300 2.765 2.561 3.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1
394 1 34 LEU H 1 34 LEU HG 5.000 . 5.000 2.090 1.798 2.671 0.002 28 0 "[ . 1 . 2 . 3 . ]" 1
395 1 34 LEU H 1 35 ARG H 5.000 . 5.000 2.714 2.365 3.209 . 0 0 "[ . 1 . 2 . 3 . ]" 1
396 1 34 LEU HA 1 34 LEU MD2 3.500 . 3.500 2.120 1.940 2.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1
397 1 34 LEU HA 1 37 ALA H 3.300 . 3.300 3.332 3.310 3.367 0.067 28 0 "[ . 1 . 2 . 3 . ]" 1
398 1 34 LEU HA 1 37 ALA MB 3.500 . 3.500 2.278 1.898 2.727 . 0 0 "[ . 1 . 2 . 3 . ]" 1
399 1 34 LEU QB 1 35 ARG H 5.900 . 5.900 2.633 2.304 2.984 . 0 0 "[ . 1 . 2 . 3 . ]" 1
400 1 34 LEU QB 1 37 ALA H 5.900 . 5.900 4.704 4.602 4.791 . 0 0 "[ . 1 . 2 . 3 . ]" 1
401 1 34 LEU HB2 1 35 ARG H 5.000 . 5.000 2.689 2.336 3.066 . 0 0 "[ . 1 . 2 . 3 . ]" 1
402 1 34 LEU HB3 1 35 ARG H 5.000 . 5.000 3.780 3.406 4.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1
403 1 34 LEU MD1 1 58 GLY H 5.000 . 5.000 3.930 3.305 4.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1
404 1 34 LEU MD1 1 58 GLY QA 4.200 . 4.200 2.398 1.826 2.766 . 0 0 "[ . 1 . 2 . 3 . ]" 1
405 1 34 LEU MD1 1 58 GLY HA3 4.300 . 4.300 2.551 1.840 3.401 . 0 0 "[ . 1 . 2 . 3 . ]" 1
406 1 34 LEU MD1 1 60 GLY HA3 4.300 . 4.300 2.981 1.933 3.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1
407 1 34 LEU MD1 1 63 PHE QB 5.200 . 5.200 2.411 1.860 2.917 . 0 0 "[ . 1 . 2 . 3 . ]" 1
408 1 34 LEU MD1 1 63 PHE QD 5.000 . 5.000 3.654 3.351 3.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1
409 1 34 LEU MD2 1 37 ALA MB 5.400 . 5.400 3.308 3.079 3.494 . 0 0 "[ . 1 . 2 . 3 . ]" 1
410 1 34 LEU MD2 1 51 LEU QB 5.200 . 5.200 3.573 2.697 3.820 . 0 0 "[ . 1 . 2 . 3 . ]" 1
411 1 34 LEU MD2 1 51 LEU MD1 5.400 . 5.400 1.910 1.689 2.448 0.111 31 0 "[ . 1 . 2 . 3 . ]" 1
412 1 34 LEU MD2 1 63 PHE QB 5.200 . 5.200 2.410 1.914 2.969 . 0 0 "[ . 1 . 2 . 3 . ]" 1
413 1 34 LEU MD2 1 63 PHE QD 3.300 . 3.300 2.291 1.985 2.722 . 0 0 "[ . 1 . 2 . 3 . ]" 1
414 1 34 LEU MD2 1 63 PHE QE 5.000 . 5.000 2.875 2.551 3.306 . 0 0 "[ . 1 . 2 . 3 . ]" 1
415 1 34 LEU HG 1 35 ARG H 5.000 . 5.000 4.223 3.871 4.697 . 0 0 "[ . 1 . 2 . 3 . ]" 1
416 1 35 ARG H 1 35 ARG QB 3.400 . 3.400 2.252 2.043 2.687 . 0 0 "[ . 1 . 2 . 3 . ]" 1
417 1 35 ARG H 1 36 GLU H 3.300 . 3.300 2.704 2.456 3.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1
418 1 35 ARG HA 1 35 ARG HD2 5.000 . 5.000 4.119 2.453 4.837 . 0 0 "[ . 1 . 2 . 3 . ]" 1
419 1 35 ARG HA 1 35 ARG HD3 5.000 . 5.000 3.926 1.998 4.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1
420 1 35 ARG HA 1 35 ARG QG 3.700 . 3.700 2.398 2.064 3.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
421 1 35 ARG HA 1 38 GLU QB 4.200 . 4.200 2.941 2.619 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1
422 1 35 ARG QB 1 36 GLU H 4.200 . 4.200 2.494 2.031 3.283 . 0 0 "[ . 1 . 2 . 3 . ]" 1
423 1 35 ARG QD 1 35 ARG QG 2.500 . 2.500 2.047 1.981 2.091 . 0 0 "[ . 1 . 2 . 3 . ]" 1
424 1 35 ARG O 1 39 LYS H 2.300 . 2.300 2.325 2.304 2.363 0.063 22 0 "[ . 1 . 2 . 3 . ]" 1
425 1 35 ARG O 1 39 LYS N 3.300 . 3.300 3.254 3.206 3.313 0.013 22 0 "[ . 1 . 2 . 3 . ]" 1
426 1 36 GLU H 1 36 GLU QB 3.400 . 3.400 2.166 2.047 2.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1
427 1 36 GLU HA 1 36 GLU QG 3.400 . 3.400 2.367 2.118 2.973 . 0 0 "[ . 1 . 2 . 3 . ]" 1
428 1 36 GLU HA 1 37 ALA H 5.000 . 5.000 3.504 3.469 3.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1
429 1 36 GLU QB 1 37 ALA H 3.400 . 3.400 2.804 2.623 2.945 . 0 0 "[ . 1 . 2 . 3 . ]" 1
430 1 36 GLU O 1 40 LYS H 2.300 . 2.300 2.256 1.948 2.323 0.023 6 0 "[ . 1 . 2 . 3 . ]" 1
431 1 36 GLU O 1 40 LYS N 3.300 . 3.300 3.158 2.913 3.296 . 0 0 "[ . 1 . 2 . 3 . ]" 1
432 1 37 ALA H 1 37 ALA MB 3.300 . 3.300 2.172 2.044 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
433 1 37 ALA H 1 38 GLU H 2.900 . 2.900 2.625 2.439 2.928 0.028 16 0 "[ . 1 . 2 . 3 . ]" 1
434 1 37 ALA H 1 38 GLU QB 5.900 . 5.900 4.463 4.211 4.688 . 0 0 "[ . 1 . 2 . 3 . ]" 1
435 1 37 ALA HA 1 40 LYS H 3.300 . 3.300 3.331 3.238 3.368 0.068 21 0 "[ . 1 . 2 . 3 . ]" 1
436 1 37 ALA HA 1 40 LYS QB 3.400 . 3.400 2.572 2.459 2.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1
437 1 37 ALA MB 1 41 ILE MD 4.600 . 4.600 2.097 1.855 2.483 . 0 0 "[ . 1 . 2 . 3 . ]" 1
438 1 37 ALA MB 1 63 PHE QE 5.000 . 5.000 3.149 2.630 3.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1
439 1 37 ALA MB 1 63 PHE HZ 3.300 . 3.300 2.462 2.127 2.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1
440 1 38 GLU H 1 39 LYS H 2.900 . 2.900 2.711 2.389 2.936 0.036 32 0 "[ . 1 . 2 . 3 . ]" 1
441 1 38 GLU H 1 63 PHE HZ 5.000 . 5.000 4.075 2.721 4.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1
442 1 38 GLU HA 1 38 GLU QB 2.600 . 2.600 2.429 2.362 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
443 1 38 GLU HA 1 38 GLU HG2 3.300 . 3.300 2.569 2.124 2.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1
444 1 38 GLU HA 1 38 GLU HG3 3.300 . 3.300 2.817 2.261 3.301 0.001 19 0 "[ . 1 . 2 . 3 . ]" 1
445 1 38 GLU HA 1 41 ILE H 3.300 . 3.300 3.339 3.306 3.378 0.078 22 0 "[ . 1 . 2 . 3 . ]" 1
446 1 38 GLU HA 1 41 ILE HB 3.300 . 3.300 2.606 2.402 2.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1
447 1 38 GLU HA 1 41 ILE MD 4.300 . 4.300 2.635 2.060 3.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1
448 1 38 GLU HA 1 41 ILE MG 5.000 . 5.000 4.064 3.852 4.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1
449 1 38 GLU HA 1 63 PHE HZ 5.000 . 5.000 3.781 2.548 4.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1
450 1 38 GLU HA 1 66 PHE QE 2.900 . 2.900 2.411 1.987 2.943 0.043 16 0 "[ . 1 . 2 . 3 . ]" 1
451 1 38 GLU QG 1 39 LYS H 5.900 . 5.900 4.217 4.066 4.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1
452 1 38 GLU QG 1 63 PHE QE 4.200 . 4.200 1.871 1.801 2.042 . 0 0 "[ . 1 . 2 . 3 . ]" 1
453 1 38 GLU HG2 1 63 PHE QE 5.400 . 5.400 2.181 1.925 3.537 . 0 0 "[ . 1 . 2 . 3 . ]" 1
454 1 38 GLU HG2 1 66 PHE QE 7.100 . 7.100 2.948 2.642 3.298 . 0 0 "[ . 1 . 2 . 3 . ]" 1
455 1 38 GLU HG2 1 66 PHE HZ 5.000 . 5.000 3.288 2.890 3.878 . 0 0 "[ . 1 . 2 . 3 . ]" 1
456 1 38 GLU HG3 1 63 PHE QE 5.400 . 5.400 2.141 1.855 2.793 . 0 0 "[ . 1 . 2 . 3 . ]" 1
457 1 38 GLU HG3 1 66 PHE QE 7.100 . 7.100 3.952 2.694 4.506 . 0 0 "[ . 1 . 2 . 3 . ]" 1
458 1 38 GLU HG3 1 66 PHE HZ 5.000 . 5.000 4.525 3.382 5.017 0.017 28 0 "[ . 1 . 2 . 3 . ]" 1
459 1 38 GLU O 1 42 LYS H 2.300 . 2.300 1.935 1.783 2.212 0.017 27 0 "[ . 1 . 2 . 3 . ]" 1
460 1 38 GLU O 1 42 LYS N 3.300 . 3.300 2.604 2.481 2.879 . 0 0 "[ . 1 . 2 . 3 . ]" 1
461 1 39 LYS H 1 39 LYS QB 3.400 . 3.400 2.243 2.199 2.256 . 0 0 "[ . 1 . 2 . 3 . ]" 1
462 1 39 LYS H 1 39 LYS HG2 5.000 . 5.000 4.441 4.399 4.469 . 0 0 "[ . 1 . 2 . 3 . ]" 1
463 1 39 LYS H 1 39 LYS QG 5.000 . 5.000 4.027 3.990 4.051 . 0 0 "[ . 1 . 2 . 3 . ]" 1
464 1 39 LYS H 1 39 LYS HG3 5.000 . 5.000 4.611 4.570 4.635 . 0 0 "[ . 1 . 2 . 3 . ]" 1
465 1 39 LYS H 1 40 LYS H 2.900 . 2.900 2.658 2.457 2.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
466 1 39 LYS H 1 41 ILE H 5.000 . 5.000 3.989 3.782 4.275 . 0 0 "[ . 1 . 2 . 3 . ]" 1
467 1 39 LYS HA 1 39 LYS QB 2.600 . 2.600 2.337 2.293 2.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1
468 1 39 LYS HA 1 39 LYS QD 4.200 . 4.200 3.525 3.275 3.725 . 0 0 "[ . 1 . 2 . 3 . ]" 1
469 1 39 LYS HA 1 39 LYS HG2 3.300 . 3.300 2.491 2.359 2.621 . 0 0 "[ . 1 . 2 . 3 . ]" 1
470 1 39 LYS HA 1 39 LYS QG 3.300 . 3.300 2.447 2.325 2.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
471 1 39 LYS HA 1 42 LYS H 5.000 . 5.000 3.460 3.152 3.696 . 0 0 "[ . 1 . 2 . 3 . ]" 1
472 1 39 LYS HA 1 42 LYS QB 3.400 . 3.400 2.456 2.164 2.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1
473 1 39 LYS QB 1 40 LYS H 3.400 . 3.400 2.519 2.237 2.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1
474 1 39 LYS QD 1 40 LYS H 3.400 . 3.400 2.967 2.495 3.128 . 0 0 "[ . 1 . 2 . 3 . ]" 1
475 1 39 LYS QD 1 40 LYS HA 3.400 . 3.400 2.685 2.495 2.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1
476 1 39 LYS QE 1 39 LYS QG 3.500 . 3.500 2.126 1.951 2.449 . 0 0 "[ . 1 . 2 . 3 . ]" 1
477 1 39 LYS QG 1 40 LYS H 5.900 . 5.900 4.045 3.822 4.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1
478 1 40 LYS H 1 40 LYS QG 3.400 . 3.400 2.470 1.967 2.934 . 0 0 "[ . 1 . 2 . 3 . ]" 1
479 1 40 LYS H 1 41 ILE H 2.900 . 2.900 2.579 2.442 2.723 . 0 0 "[ . 1 . 2 . 3 . ]" 1
480 1 40 LYS HA 1 40 LYS QB 2.600 . 2.600 2.387 2.156 2.475 . 0 0 "[ . 1 . 2 . 3 . ]" 1
481 1 40 LYS HA 1 40 LYS QG 3.700 . 3.700 2.502 2.187 3.257 . 0 0 "[ . 1 . 2 . 3 . ]" 1
482 1 41 ILE H 1 41 ILE HB 2.900 . 2.900 2.558 2.422 2.649 . 0 0 "[ . 1 . 2 . 3 . ]" 1
483 1 41 ILE H 1 41 ILE MD 4.300 . 4.300 3.285 2.912 3.608 . 0 0 "[ . 1 . 2 . 3 . ]" 1
484 1 41 ILE H 1 41 ILE QG 3.400 . 3.400 2.220 1.959 2.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
485 1 41 ILE H 1 42 LYS H 2.900 . 2.900 2.416 2.222 2.612 . 0 0 "[ . 1 . 2 . 3 . ]" 1
486 1 41 ILE H 1 43 GLU H 5.000 . 5.000 4.268 3.934 4.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
487 1 41 ILE HA 1 41 ILE HG12 3.300 . 3.300 2.795 2.550 3.017 . 0 0 "[ . 1 . 2 . 3 . ]" 1
488 1 41 ILE HA 1 41 ILE HG13 3.300 . 3.300 2.813 2.602 3.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1
489 1 41 ILE HA 1 41 ILE MG 3.300 . 3.300 2.299 2.214 2.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1
490 1 41 ILE HA 1 44 LEU QB 5.900 . 5.900 3.530 2.739 5.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
491 1 41 ILE HB 1 42 LYS H 5.000 . 5.000 3.156 2.927 3.452 . 0 0 "[ . 1 . 2 . 3 . ]" 1
492 1 41 ILE HB 1 43 GLU H 5.000 . 5.000 5.007 4.906 5.056 0.056 23 0 "[ . 1 . 2 . 3 . ]" 1
493 1 41 ILE MD 1 63 PHE HZ 5.000 . 5.000 2.051 1.788 2.491 0.012 28 0 "[ . 1 . 2 . 3 . ]" 1
494 1 41 ILE MG 1 42 LYS H 5.000 . 5.000 3.889 3.614 4.092 . 0 0 "[ . 1 . 2 . 3 . ]" 1
495 1 42 LYS H 1 42 LYS QB 3.400 . 3.400 2.144 2.034 2.315 . 0 0 "[ . 1 . 2 . 3 . ]" 1
496 1 42 LYS H 1 42 LYS QG 4.200 . 4.200 3.383 2.694 3.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
497 1 42 LYS H 1 43 GLU H 2.900 . 2.900 2.708 2.537 2.908 0.008 13 0 "[ . 1 . 2 . 3 . ]" 1
498 1 42 LYS H 1 44 LEU H 5.000 . 5.000 4.349 3.998 4.680 . 0 0 "[ . 1 . 2 . 3 . ]" 1
499 1 42 LYS HA 1 42 LYS QB 2.600 . 2.600 2.475 2.272 2.527 . 0 0 "[ . 1 . 2 . 3 . ]" 1
500 1 42 LYS HA 1 42 LYS QG 3.700 . 3.700 2.219 2.040 2.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1
501 1 42 LYS QG 1 43 GLU H 5.900 . 5.900 4.529 3.645 4.830 . 0 0 "[ . 1 . 2 . 3 . ]" 1
502 1 43 GLU H 1 43 GLU HA 2.900 . 2.900 2.930 2.903 2.940 0.040 10 0 "[ . 1 . 2 . 3 . ]" 1
503 1 43 GLU H 1 43 GLU QB 3.400 . 3.400 2.676 2.306 2.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1
504 1 43 GLU H 1 43 GLU HG2 5.000 . 5.000 4.100 3.694 4.475 . 0 0 "[ . 1 . 2 . 3 . ]" 1
505 1 43 GLU H 1 43 GLU QG 4.100 . 4.100 2.880 2.502 3.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
506 1 43 GLU H 1 43 GLU HG3 5.000 . 5.000 2.949 2.535 3.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
507 1 43 GLU H 1 44 LEU H 2.900 . 2.900 2.116 1.973 2.363 . 0 0 "[ . 1 . 2 . 3 . ]" 1
508 1 43 GLU H 1 44 LEU MD2 6.000 . 6.000 4.685 3.734 4.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
509 1 43 GLU HA 1 43 GLU QB 2.600 . 2.600 2.343 2.304 2.457 . 0 0 "[ . 1 . 2 . 3 . ]" 1
510 1 43 GLU HA 1 43 GLU HG2 3.300 . 3.300 2.747 2.192 3.142 . 0 0 "[ . 1 . 2 . 3 . ]" 1
511 1 43 GLU HA 1 43 GLU QG 2.800 . 2.800 2.493 2.162 2.597 . 0 0 "[ . 1 . 2 . 3 . ]" 1
512 1 43 GLU HA 1 43 GLU HG3 3.300 . 3.300 2.976 2.562 3.306 0.006 12 0 "[ . 1 . 2 . 3 . ]" 1
513 1 43 GLU QB 1 44 LEU H 3.400 . 3.400 2.365 2.054 2.870 . 0 0 "[ . 1 . 2 . 3 . ]" 1
514 1 44 LEU H 1 44 LEU MD2 4.300 . 4.300 3.051 2.348 3.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1
515 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 4.248 2.307 4.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
516 1 44 LEU H 1 45 PHE H 5.000 . 5.000 4.438 2.351 4.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1
517 1 44 LEU HA 1 45 PHE H 2.900 . 2.900 2.230 2.135 3.011 0.111 23 0 "[ . 1 . 2 . 3 . ]" 1
518 1 44 LEU QB 1 45 PHE H 4.100 . 4.100 3.434 2.093 3.668 . 0 0 "[ . 1 . 2 . 3 . ]" 1
519 1 44 LEU QB 1 46 PHE QE 5.000 . 5.000 2.979 2.310 4.385 . 0 0 "[ . 1 . 2 . 3 . ]" 1
520 1 44 LEU QB 1 46 PHE HZ 5.000 . 5.000 3.647 2.764 4.536 . 0 0 "[ . 1 . 2 . 3 . ]" 1
521 1 44 LEU HB2 1 45 PHE H 5.000 . 5.000 4.193 2.106 4.573 . 0 0 "[ . 1 . 2 . 3 . ]" 1
522 1 44 LEU HB3 1 45 PHE H 5.000 . 5.000 3.780 3.364 4.503 . 0 0 "[ . 1 . 2 . 3 . ]" 1
523 1 44 LEU QD 1 46 PHE QE 5.000 . 5.000 3.049 1.926 3.553 . 0 0 "[ . 1 . 2 . 3 . ]" 1
524 1 44 LEU MD1 1 45 PHE H 4.300 . 4.300 2.683 1.963 3.652 . 0 0 "[ . 1 . 2 . 3 . ]" 1
525 1 44 LEU MD2 1 45 PHE H 5.000 . 5.000 3.670 2.928 4.250 . 0 0 "[ . 1 . 2 . 3 . ]" 1
526 1 45 PHE H 1 45 PHE HB2 2.900 . 2.900 2.610 2.318 2.929 0.029 25 0 "[ . 1 . 2 . 3 . ]" 1
527 1 45 PHE H 1 45 PHE HB3 2.900 . 2.900 2.631 2.481 2.976 0.076 23 0 "[ . 1 . 2 . 3 . ]" 1
528 1 45 PHE H 1 46 PHE H 5.000 . 5.000 3.877 3.450 4.262 . 0 0 "[ . 1 . 2 . 3 . ]" 1
529 1 45 PHE HA 1 45 PHE QD 3.300 . 3.300 2.699 2.051 3.130 . 0 0 "[ . 1 . 2 . 3 . ]" 1
530 1 45 PHE HA 1 46 PHE H 2.900 . 2.900 2.360 2.153 2.568 . 0 0 "[ . 1 . 2 . 3 . ]" 1
531 1 45 PHE HZ 1 73 ASP HB2 3.300 . 3.300 3.231 2.759 3.309 0.009 25 0 "[ . 1 . 2 . 3 . ]" 1
532 1 45 PHE HZ 1 73 ASP HB3 3.300 . 3.300 2.465 1.976 3.306 0.006 14 0 "[ . 1 . 2 . 3 . ]" 1
533 1 46 PHE H 1 46 PHE QB 3.700 . 3.700 2.295 2.195 2.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
534 1 46 PHE H 1 46 PHE QD 3.300 . 3.300 3.015 2.631 3.386 0.086 13 0 "[ . 1 . 2 . 3 . ]" 1
535 1 46 PHE HA 1 47 PRO QD 3.200 . 3.200 1.928 1.789 2.009 0.011 31 0 "[ . 1 . 2 . 3 . ]" 1
536 1 46 PHE QB 1 48 VAL H 5.900 . 5.900 3.053 2.679 3.829 . 0 0 "[ . 1 . 2 . 3 . ]" 1
537 1 46 PHE QB 1 49 ILE MD 5.200 . 5.200 1.722 1.647 1.862 0.153 15 0 "[ . 1 . 2 . 3 . ]" 1
538 1 46 PHE QB 1 49 ILE QG 5.000 . 5.000 3.345 3.069 3.670 . 0 0 "[ . 1 . 2 . 3 . ]" 1
539 1 46 PHE HB2 1 49 ILE MD 6.000 . 6.000 1.974 1.809 2.293 . 0 0 "[ . 1 . 2 . 3 . ]" 1
540 1 46 PHE HB2 1 49 ILE HG12 6.800 . 6.800 4.258 3.742 4.691 . 0 0 "[ . 1 . 2 . 3 . ]" 1
541 1 46 PHE HB2 1 49 ILE HG13 6.800 . 6.800 4.311 4.070 4.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
542 1 46 PHE HB3 1 49 ILE MD 6.000 . 6.000 1.930 1.820 2.367 . 0 0 "[ . 1 . 2 . 3 . ]" 1
543 1 46 PHE HB3 1 49 ILE HG12 6.800 . 6.800 3.969 3.476 4.661 . 0 0 "[ . 1 . 2 . 3 . ]" 1
544 1 46 PHE HB3 1 49 ILE HG13 6.800 . 6.800 4.591 4.154 5.255 . 0 0 "[ . 1 . 2 . 3 . ]" 1
545 1 46 PHE QD 1 49 ILE MD 8.200 . 8.200 2.945 2.373 3.337 . 0 0 "[ . 1 . 2 . 3 . ]" 1
546 1 47 PRO HA 1 74 SER HA 3.300 . 3.300 2.444 1.955 2.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1
547 1 47 PRO HA 1 75 VAL H 5.000 . 5.000 4.066 3.919 4.371 . 0 0 "[ . 1 . 2 . 3 . ]" 1
548 1 47 PRO QB 1 48 VAL H 5.000 . 5.000 3.210 2.401 3.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1
549 1 47 PRO QB 1 48 VAL MG2 4.100 . 4.100 2.423 2.173 2.561 . 0 0 "[ . 1 . 2 . 3 . ]" 1
550 1 47 PRO QB 1 117 PHE QE 5.900 . 5.900 2.849 1.828 3.388 . 0 0 "[ . 1 . 2 . 3 . ]" 1
551 1 47 PRO QB 1 117 PHE HZ 5.000 . 5.000 4.269 3.492 4.377 . 0 0 "[ . 1 . 2 . 3 . ]" 1
552 1 47 PRO HB2 1 48 VAL MG2 5.000 . 5.000 2.447 2.188 2.590 . 0 0 "[ . 1 . 2 . 3 . ]" 1
553 1 47 PRO HB3 1 48 VAL MG2 5.000 . 5.000 3.890 3.636 4.027 . 0 0 "[ . 1 . 2 . 3 . ]" 1
554 1 47 PRO QD 1 48 VAL H 4.200 . 4.200 2.324 1.880 2.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
555 1 47 PRO QD 1 48 VAL HA 5.900 . 5.900 5.022 4.626 5.257 . 0 0 "[ . 1 . 2 . 3 . ]" 1
556 1 47 PRO QD 1 117 PHE QE 5.900 . 5.900 3.709 2.477 4.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
557 1 47 PRO QG 1 48 VAL H 5.400 . 5.400 2.680 1.993 3.481 . 0 0 "[ . 1 . 2 . 3 . ]" 1
558 1 47 PRO QG 1 117 PHE QE 4.100 . 4.100 1.943 1.743 2.420 0.057 6 0 "[ . 1 . 2 . 3 . ]" 1
559 1 47 PRO QG 1 117 PHE HZ 5.900 . 5.900 2.916 2.666 3.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1
560 1 47 PRO HG2 1 117 PHE QE 5.000 . 5.000 2.101 1.750 2.723 0.050 6 0 "[ . 1 . 2 . 3 . ]" 1
561 1 47 PRO HG3 1 117 PHE QE 5.000 . 5.000 2.545 1.988 3.443 . 0 0 "[ . 1 . 2 . 3 . ]" 1
562 1 47 PRO O 1 75 VAL H 2.300 . 2.300 2.131 1.755 2.343 0.045 20 0 "[ . 1 . 2 . 3 . ]" 1
563 1 47 PRO O 1 75 VAL N 3.300 . 3.300 2.604 2.520 2.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
564 1 48 VAL H 1 48 VAL HB 3.300 . 3.300 2.895 2.658 3.081 . 0 0 "[ . 1 . 2 . 3 . ]" 1
565 1 48 VAL H 1 48 VAL MG2 3.300 . 3.300 2.645 2.468 2.750 . 0 0 "[ . 1 . 2 . 3 . ]" 1
566 1 48 VAL H 1 49 ILE H 5.000 . 5.000 4.253 4.091 4.391 . 0 0 "[ . 1 . 2 . 3 . ]" 1
567 1 48 VAL H 1 49 ILE QG 5.900 . 5.900 4.323 3.988 4.706 . 0 0 "[ . 1 . 2 . 3 . ]" 1
568 1 48 VAL H 1 75 VAL H 5.000 . 5.000 4.258 3.995 4.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1
569 1 48 VAL H 1 117 PHE QE 5.000 . 5.000 4.323 2.598 4.771 . 0 0 "[ . 1 . 2 . 3 . ]" 1
570 1 48 VAL HA 1 49 ILE H 2.900 . 2.900 2.153 2.129 2.194 . 0 0 "[ . 1 . 2 . 3 . ]" 1
571 1 48 VAL HA 1 75 VAL H 3.300 . 3.300 2.296 2.029 2.489 . 0 0 "[ . 1 . 2 . 3 . ]" 1
572 1 48 VAL HA 1 75 VAL HB 3.300 . 3.300 2.340 1.888 2.758 . 0 0 "[ . 1 . 2 . 3 . ]" 1
573 1 48 VAL HA 1 75 VAL MG2 4.300 . 4.300 3.328 2.432 3.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1
574 1 48 VAL MG1 1 49 ILE H 4.300 . 4.300 2.465 2.060 2.882 . 0 0 "[ . 1 . 2 . 3 . ]" 1
575 1 48 VAL MG1 1 75 VAL H 5.000 . 5.000 3.870 3.583 4.088 . 0 0 "[ . 1 . 2 . 3 . ]" 1
576 1 48 VAL MG1 1 75 VAL HB 4.300 . 4.300 2.053 1.869 2.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1
577 1 48 VAL MG1 1 113 ILE MD 7.100 . 7.100 2.164 1.755 2.864 0.045 16 0 "[ . 1 . 2 . 3 . ]" 1
578 1 48 VAL MG2 1 49 ILE H 5.000 . 5.000 4.142 4.046 4.188 . 0 0 "[ . 1 . 2 . 3 . ]" 1
579 1 48 VAL MG2 1 50 VAL MG2 7.100 . 7.100 4.808 4.440 4.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1
580 1 48 VAL MG2 1 75 VAL H 5.000 . 5.000 3.702 3.238 3.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1
581 1 48 VAL MG2 1 75 VAL HB 3.500 . 3.500 2.666 2.545 2.858 . 0 0 "[ . 1 . 2 . 3 . ]" 1
582 1 48 VAL MG2 1 75 VAL MG2 4.600 . 4.600 2.495 1.683 2.738 0.117 20 0 "[ . 1 . 2 . 3 . ]" 1
583 1 48 VAL MG2 1 113 ILE MG 7.100 . 7.100 3.482 3.056 4.099 . 0 0 "[ . 1 . 2 . 3 . ]" 1
584 1 48 VAL MG2 1 116 ALA MB 4.600 . 4.600 2.510 1.896 2.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1
585 1 48 VAL MG2 1 117 PHE QD 5.000 . 5.000 2.903 2.409 3.202 . 0 0 "[ . 1 . 2 . 3 . ]" 1
586 1 48 VAL MG2 1 117 PHE QE 3.300 . 3.300 2.464 2.078 2.686 . 0 0 "[ . 1 . 2 . 3 . ]" 1
587 1 48 VAL MG2 1 117 PHE HZ 5.000 . 5.000 2.736 2.376 3.062 . 0 0 "[ . 1 . 2 . 3 . ]" 1
588 1 49 ILE H 1 49 ILE HB 3.300 . 3.300 2.811 2.669 3.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1
589 1 49 ILE H 1 49 ILE QG 4.200 . 4.200 2.418 1.967 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
590 1 49 ILE H 1 75 VAL H 3.300 . 3.300 3.239 2.800 3.366 0.066 26 0 "[ . 1 . 2 . 3 . ]" 1
591 1 49 ILE H 1 75 VAL HB 5.000 . 5.000 3.404 2.689 3.849 . 0 0 "[ . 1 . 2 . 3 . ]" 1
592 1 49 ILE H 1 75 VAL O 2.300 . 2.300 1.752 1.667 2.360 0.133 9 0 "[ . 1 . 2 . 3 . ]" 1
593 1 49 ILE H 1 76 VAL HA 3.300 . 3.300 3.179 2.928 3.320 0.020 14 0 "[ . 1 . 2 . 3 . ]" 1
594 1 49 ILE H 1 77 ILE H 5.000 . 5.000 3.769 3.357 4.338 . 0 0 "[ . 1 . 2 . 3 . ]" 1
595 1 49 ILE HA 1 49 ILE MD 4.300 . 4.300 2.239 1.987 2.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
596 1 49 ILE HA 1 50 VAL H 2.900 . 2.900 2.287 2.152 2.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1
597 1 49 ILE HB 1 50 VAL H 5.000 . 5.000 3.741 3.312 4.310 . 0 0 "[ . 1 . 2 . 3 . ]" 1
598 1 49 ILE HB 1 76 VAL HA 3.300 . 3.300 2.835 2.633 3.296 . 0 0 "[ . 1 . 2 . 3 . ]" 1
599 1 49 ILE MD 1 74 SER QB 6.900 . 6.900 3.920 3.141 4.326 . 0 0 "[ . 1 . 2 . 3 . ]" 1
600 1 49 ILE QG 1 50 VAL H 5.900 . 5.900 4.608 4.425 4.930 . 0 0 "[ . 1 . 2 . 3 . ]" 1
601 1 49 ILE QG 1 76 VAL MG2 5.200 . 5.200 3.433 2.840 3.778 . 0 0 "[ . 1 . 2 . 3 . ]" 1
602 1 49 ILE N 1 75 VAL O 3.300 . 3.300 2.681 2.585 3.311 0.011 20 0 "[ . 1 . 2 . 3 . ]" 1
603 1 49 ILE O 1 77 ILE H 2.300 . 2.300 2.232 1.894 2.337 0.037 15 0 "[ . 1 . 2 . 3 . ]" 1
604 1 49 ILE O 1 77 ILE N 3.300 . 3.300 3.143 2.763 3.305 0.005 38 0 "[ . 1 . 2 . 3 . ]" 1
605 1 50 VAL H 1 50 VAL HB 3.300 . 3.300 2.807 2.515 2.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1
606 1 50 VAL HA 1 51 LEU H 2.900 . 2.900 2.187 2.123 2.623 . 0 0 "[ . 1 . 2 . 3 . ]" 1
607 1 50 VAL HA 1 77 ILE H 5.000 . 5.000 3.160 2.332 3.796 . 0 0 "[ . 1 . 2 . 3 . ]" 1
608 1 50 VAL HA 1 79 ILE MD 6.000 . 6.000 4.661 3.900 4.924 . 0 0 "[ . 1 . 2 . 3 . ]" 1
609 1 50 VAL HA 1 79 ILE QG 5.900 . 5.900 4.026 3.406 4.501 . 0 0 "[ . 1 . 2 . 3 . ]" 1
610 1 50 VAL MG2 1 51 LEU H 5.000 . 5.000 4.139 3.877 4.208 . 0 0 "[ . 1 . 2 . 3 . ]" 1
611 1 50 VAL MG2 1 77 ILE HB 3.500 . 3.500 2.324 1.880 2.744 . 0 0 "[ . 1 . 2 . 3 . ]" 1
612 1 51 LEU H 1 51 LEU QB 3.700 . 3.700 2.320 2.228 2.821 . 0 0 "[ . 1 . 2 . 3 . ]" 1
613 1 51 LEU H 1 52 ASP H 5.000 . 5.000 4.380 3.133 4.607 . 0 0 "[ . 1 . 2 . 3 . ]" 1
614 1 51 LEU H 1 77 ILE H 5.000 . 5.000 4.399 3.668 5.018 0.018 17 0 "[ . 1 . 2 . 3 . ]" 1
615 1 51 LEU H 1 78 VAL HA 3.300 . 3.300 2.064 1.871 2.402 . 0 0 "[ . 1 . 2 . 3 . ]" 1
616 1 51 LEU H 1 78 VAL QG 5.900 . 5.900 2.745 2.147 3.463 . 0 0 "[ . 1 . 2 . 3 . ]" 1
617 1 51 LEU H 1 79 ILE H 5.000 . 5.000 3.300 2.188 3.920 . 0 0 "[ . 1 . 2 . 3 . ]" 1
618 1 51 LEU HA 1 51 LEU MD1 4.300 . 4.300 2.160 1.895 2.576 . 0 0 "[ . 1 . 2 . 3 . ]" 1
619 1 51 LEU HA 1 52 ASP H 2.900 . 2.900 2.301 2.104 2.552 . 0 0 "[ . 1 . 2 . 3 . ]" 1
620 1 51 LEU QB 1 52 ASP H 5.900 . 5.900 3.545 2.969 4.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1
621 1 51 LEU QB 1 52 ASP HA 5.900 . 5.900 4.546 4.135 4.924 . 0 0 "[ . 1 . 2 . 3 . ]" 1
622 1 51 LEU QB 1 78 VAL QG 5.000 . 5.000 1.821 1.681 2.042 0.119 32 0 "[ . 1 . 2 . 3 . ]" 1
623 1 51 LEU QB 1 79 ILE H 5.900 . 5.900 3.623 1.873 4.811 . 0 0 "[ . 1 . 2 . 3 . ]" 1
624 1 51 LEU HB2 1 78 VAL MG1 6.100 . 6.100 3.222 2.552 3.991 . 0 0 "[ . 1 . 2 . 3 . ]" 1
625 1 51 LEU HB2 1 78 VAL MG2 6.100 . 6.100 2.843 2.366 3.358 . 0 0 "[ . 1 . 2 . 3 . ]" 1
626 1 51 LEU HB3 1 78 VAL MG1 6.100 . 6.100 1.976 1.851 2.422 . 0 0 "[ . 1 . 2 . 3 . ]" 1
627 1 51 LEU HB3 1 78 VAL MG2 6.100 . 6.100 2.487 1.926 3.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1
628 1 51 LEU MD1 1 52 ASP H 4.300 . 4.300 2.450 1.917 3.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1
629 1 51 LEU MD1 1 52 ASP HA 6.000 . 6.000 4.612 4.192 4.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1
630 1 51 LEU MD2 1 53 VAL HB 6.000 . 6.000 4.518 3.158 4.907 . 0 0 "[ . 1 . 2 . 3 . ]" 1
631 1 51 LEU HG 1 53 VAL QG 5.100 . 5.100 2.625 1.797 3.774 0.003 27 0 "[ . 1 . 2 . 3 . ]" 1
632 1 52 ASP H 1 52 ASP HB2 3.300 . 3.300 2.725 2.098 3.187 . 0 0 "[ . 1 . 2 . 3 . ]" 1
633 1 52 ASP H 1 52 ASP HB3 3.300 . 3.300 3.017 2.463 3.328 0.028 18 0 "[ . 1 . 2 . 3 . ]" 1
634 1 52 ASP H 1 78 VAL HA 5.000 . 5.000 5.029 4.893 5.080 0.080 30 0 "[ . 1 . 2 . 3 . ]" 1
635 1 52 ASP HA 1 79 ILE H 5.000 . 5.000 3.710 3.065 4.601 . 0 0 "[ . 1 . 2 . 3 . ]" 1
636 1 52 ASP HA 1 80 THR MG 4.300 . 4.300 3.188 1.864 3.602 . 0 0 "[ . 1 . 2 . 3 . ]" 1
637 1 53 VAL HA 1 56 PRO QG 3.400 . 3.400 2.735 2.190 3.132 . 0 0 "[ . 1 . 2 . 3 . ]" 1
638 1 53 VAL HB 1 87 THR MG 6.000 . 6.000 4.810 4.395 4.946 . 0 0 "[ . 1 . 2 . 3 . ]" 1
639 1 53 VAL QG 1 87 THR MG 6.100 . 6.100 3.183 2.478 3.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1
640 1 53 VAL MG1 1 80 THR HB 4.300 . 4.300 3.213 1.758 3.643 0.042 18 0 "[ . 1 . 2 . 3 . ]" 1
641 1 53 VAL MG2 1 80 THR HB 4.300 . 4.300 2.697 1.779 3.589 0.021 10 0 "[ . 1 . 2 . 3 . ]" 1
642 1 54 TRP HA 1 55 MET H 5.000 . 5.000 3.535 3.492 3.552 . 0 0 "[ . 1 . 2 . 3 . ]" 1
643 1 54 TRP HA 1 56 PRO QD 5.900 . 5.900 3.962 3.721 4.316 . 0 0 "[ . 1 . 2 . 3 . ]" 1
644 1 54 TRP QB 1 55 MET H 5.900 . 5.900 1.939 1.782 2.043 0.018 35 0 "[ . 1 . 2 . 3 . ]" 1
645 1 54 TRP HE1 1 55 MET H 5.000 . 5.000 4.890 4.278 5.044 0.044 38 0 "[ . 1 . 2 . 3 . ]" 1
646 1 54 TRP HE3 1 55 MET H 5.000 . 5.000 4.776 2.249 5.029 0.029 14 0 "[ . 1 . 2 . 3 . ]" 1
647 1 56 PRO QB 1 57 ASP H 4.000 . 4.000 1.915 1.825 2.127 . 0 0 "[ . 1 . 2 . 3 . ]" 1
648 1 56 PRO HB2 1 57 ASP H 5.000 . 5.000 1.934 1.846 2.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1
649 1 56 PRO HB3 1 57 ASP H 5.000 . 5.000 3.111 2.629 3.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
650 1 56 PRO QD 1 57 ASP H 5.300 . 5.300 4.362 2.220 4.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1
651 1 56 PRO QG 1 57 ASP H 4.200 . 4.200 3.601 2.035 3.843 . 0 0 "[ . 1 . 2 . 3 . ]" 1
652 1 57 ASP H 1 58 GLY H 2.900 . 2.900 2.349 1.931 2.897 . 0 0 "[ . 1 . 2 . 3 . ]" 1
653 1 57 ASP H 1 58 GLY QA 5.900 . 5.900 3.786 3.572 4.110 . 0 0 "[ . 1 . 2 . 3 . ]" 1
654 1 57 ASP HA 1 57 ASP QB 2.600 . 2.600 2.338 2.183 2.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
655 1 59 ASP HA 1 60 GLY H 2.900 . 2.900 2.468 2.142 2.971 0.071 10 0 "[ . 1 . 2 . 3 . ]" 1
656 1 59 ASP HA 1 60 GLY QA 5.900 . 5.900 4.033 3.886 4.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1
657 1 60 GLY H 1 61 VAL H 5.000 . 5.000 2.883 1.859 4.353 . 0 0 "[ . 1 . 2 . 3 . ]" 1
658 1 60 GLY QA 1 61 VAL H 3.200 . 3.200 2.712 2.129 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1
659 1 60 GLY QA 1 63 PHE H 5.900 . 5.900 3.164 2.887 3.398 . 0 0 "[ . 1 . 2 . 3 . ]" 1
660 1 60 GLY QA 1 63 PHE QB 4.100 . 4.100 2.381 2.008 2.872 . 0 0 "[ . 1 . 2 . 3 . ]" 1
661 1 60 GLY HA3 1 63 PHE HB2 5.000 . 5.000 3.869 2.560 4.884 . 0 0 "[ . 1 . 2 . 3 . ]" 1
662 1 60 GLY HA3 1 63 PHE HB3 5.000 . 5.000 3.722 2.957 4.175 . 0 0 "[ . 1 . 2 . 3 . ]" 1
663 1 61 VAL H 1 61 VAL HB 2.900 . 2.900 2.609 2.466 2.729 . 0 0 "[ . 1 . 2 . 3 . ]" 1
664 1 61 VAL H 1 61 VAL MG1 4.300 . 4.300 3.736 3.725 3.763 . 0 0 "[ . 1 . 2 . 3 . ]" 1
665 1 61 VAL H 1 61 VAL MG2 2.900 . 2.900 1.982 1.892 2.155 . 0 0 "[ . 1 . 2 . 3 . ]" 1
666 1 61 VAL H 1 62 ASN H 2.900 . 2.900 2.735 2.358 2.914 0.014 34 0 "[ . 1 . 2 . 3 . ]" 1
667 1 61 VAL H 1 63 PHE H 5.000 . 5.000 3.849 3.493 4.097 . 0 0 "[ . 1 . 2 . 3 . ]" 1
668 1 61 VAL HA 1 64 ILE H 5.000 . 5.000 4.034 3.359 4.619 . 0 0 "[ . 1 . 2 . 3 . ]" 1
669 1 61 VAL HA 1 64 ILE MD 3.500 . 3.500 2.309 1.852 2.936 . 0 0 "[ . 1 . 2 . 3 . ]" 1
670 1 61 VAL HA 1 64 ILE QG 5.900 . 5.900 3.772 1.904 4.991 . 0 0 "[ . 1 . 2 . 3 . ]" 1
671 1 61 VAL HB 1 62 ASN H 3.300 . 3.300 2.515 2.043 2.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
672 1 61 VAL MG1 1 62 ASN H 4.300 . 4.300 3.488 3.005 3.578 . 0 0 "[ . 1 . 2 . 3 . ]" 1
673 1 61 VAL MG1 1 63 PHE H 6.000 . 6.000 4.695 4.480 4.936 . 0 0 "[ . 1 . 2 . 3 . ]" 1
674 1 61 VAL MG1 1 90 LYS QB 5.200 . 5.200 3.652 3.487 3.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
675 1 61 VAL MG1 1 90 LYS QD 4.400 . 4.400 2.802 2.231 3.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1
676 1 61 VAL MG1 1 91 ALA HA 4.300 . 4.300 3.116 2.506 3.334 . 0 0 "[ . 1 . 2 . 3 . ]" 1
677 1 61 VAL MG2 1 62 ASN H 6.000 . 6.000 3.707 3.497 3.927 . 0 0 "[ . 1 . 2 . 3 . ]" 1
678 1 61 VAL MG2 1 90 LYS QG 3.400 . 3.400 1.948 1.841 2.215 . 0 0 "[ . 1 . 2 . 3 . ]" 1
679 1 62 ASN H 1 62 ASN HB2 3.300 . 3.300 2.617 2.069 3.500 0.200 23 0 "[ . 1 . 2 . 3 . ]" 1
680 1 62 ASN H 1 62 ASN QB 2.900 . 2.900 2.230 2.045 2.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1
681 1 62 ASN H 1 62 ASN HB3 3.300 . 3.300 2.958 2.066 3.303 0.003 16 0 "[ . 1 . 2 . 3 . ]" 1
682 1 62 ASN H 1 62 ASN QD 4.200 . 4.200 3.241 2.092 3.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1
683 1 62 ASN H 1 63 PHE H 3.300 . 3.300 2.550 2.328 2.703 . 0 0 "[ . 1 . 2 . 3 . ]" 1
684 1 62 ASN HB2 1 63 PHE H 5.000 . 5.000 3.933 3.381 4.490 . 0 0 "[ . 1 . 2 . 3 . ]" 1
685 1 62 ASN HB3 1 63 PHE H 5.000 . 5.000 3.848 3.201 4.369 . 0 0 "[ . 1 . 2 . 3 . ]" 1
686 1 63 PHE H 1 63 PHE HA 2.900 . 2.900 2.851 2.748 2.908 0.008 27 0 "[ . 1 . 2 . 3 . ]" 1
687 1 63 PHE H 1 63 PHE QB 3.300 . 3.300 2.283 2.244 2.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1
688 1 63 PHE HA 1 66 PHE H 5.000 . 5.000 3.117 2.991 3.355 . 0 0 "[ . 1 . 2 . 3 . ]" 1
689 1 63 PHE HA 1 66 PHE HB2 5.000 . 5.000 3.363 2.862 4.217 . 0 0 "[ . 1 . 2 . 3 . ]" 1
690 1 63 PHE HA 1 66 PHE QB 4.100 . 4.100 2.760 2.525 3.119 . 0 0 "[ . 1 . 2 . 3 . ]" 1
691 1 63 PHE HA 1 66 PHE HB3 5.000 . 5.000 2.966 2.622 3.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1
692 1 63 PHE QB 1 64 ILE H 4.200 . 4.200 2.660 2.435 2.862 . 0 0 "[ . 1 . 2 . 3 . ]" 1
693 1 63 PHE QD 1 67 ILE MD 3.300 . 3.300 2.560 2.248 2.748 . 0 0 "[ . 1 . 2 . 3 . ]" 1
694 1 63 PHE QE 1 67 ILE MD 3.300 . 3.300 2.508 2.242 2.685 . 0 0 "[ . 1 . 2 . 3 . ]" 1
695 1 63 PHE HZ 1 66 PHE QD 5.000 . 5.000 3.566 3.036 4.193 . 0 0 "[ . 1 . 2 . 3 . ]" 1
696 1 63 PHE O 1 67 ILE H 2.300 . 2.300 2.271 2.072 2.330 0.030 6 0 "[ . 1 . 2 . 3 . ]" 1
697 1 63 PHE O 1 67 ILE N 3.300 . 3.300 3.186 2.896 3.271 . 0 0 "[ . 1 . 2 . 3 . ]" 1
698 1 64 ILE H 1 64 ILE HB 3.300 . 3.300 2.706 2.471 3.325 0.025 12 0 "[ . 1 . 2 . 3 . ]" 1
699 1 64 ILE H 1 64 ILE MD 3.300 . 3.300 2.215 1.849 2.703 . 0 0 "[ . 1 . 2 . 3 . ]" 1
700 1 64 ILE H 1 64 ILE QG 3.400 . 3.400 2.205 1.789 2.643 0.011 12 0 "[ . 1 . 2 . 3 . ]" 1
701 1 64 ILE H 1 65 ASP H 2.900 . 2.900 2.842 2.785 2.926 0.026 37 0 "[ . 1 . 2 . 3 . ]" 1
702 1 64 ILE HA 1 67 ILE HB 3.300 . 3.300 3.211 2.723 3.335 0.035 10 0 "[ . 1 . 2 . 3 . ]" 1
703 1 64 ILE HA 1 67 ILE MD 4.300 . 4.300 2.276 1.895 3.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
704 1 64 ILE HB 1 65 ASP H 3.300 . 3.300 2.850 2.475 2.961 . 0 0 "[ . 1 . 2 . 3 . ]" 1
705 1 64 ILE MG 1 65 ASP H 6.000 . 6.000 3.712 3.329 4.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1
706 1 64 ILE MG 1 94 LYS HA 6.000 . 6.000 4.622 3.949 4.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1
707 1 64 ILE MG 1 94 LYS QB 4.400 . 4.400 2.539 1.882 3.143 . 0 0 "[ . 1 . 2 . 3 . ]" 1
708 1 64 ILE MG 1 95 GLY QA 6.900 . 6.900 2.713 1.836 3.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1
709 1 65 ASP H 1 65 ASP HB2 3.300 . 3.300 2.305 2.085 2.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
710 1 65 ASP H 1 65 ASP QB 2.900 . 2.900 2.186 2.064 2.295 . 0 0 "[ . 1 . 2 . 3 . ]" 1
711 1 65 ASP H 1 65 ASP HB3 3.300 . 3.300 2.879 2.513 3.302 0.002 4 0 "[ . 1 . 2 . 3 . ]" 1
712 1 65 ASP H 1 66 PHE H 3.300 . 3.300 2.555 2.392 2.792 . 0 0 "[ . 1 . 2 . 3 . ]" 1
713 1 65 ASP HA 1 68 LYS H 3.300 . 3.300 3.329 3.301 3.357 0.057 29 0 "[ . 1 . 2 . 3 . ]" 1
714 1 65 ASP HA 1 68 LYS HB2 5.000 . 5.000 3.389 2.708 4.724 . 0 0 "[ . 1 . 2 . 3 . ]" 1
715 1 65 ASP HA 1 68 LYS QB 4.100 . 4.100 3.118 2.684 3.789 . 0 0 "[ . 1 . 2 . 3 . ]" 1
716 1 65 ASP HA 1 68 LYS HB3 5.000 . 5.000 4.449 3.675 4.976 . 0 0 "[ . 1 . 2 . 3 . ]" 1
717 1 65 ASP QB 1 66 PHE H 4.200 . 4.200 2.626 2.248 2.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1
718 1 65 ASP O 1 69 GLU H 2.300 . 2.300 1.848 1.770 2.018 0.030 29 0 "[ . 1 . 2 . 3 . ]" 1
719 1 65 ASP O 1 69 GLU N 3.300 . 3.300 2.564 2.491 2.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1
720 1 66 PHE H 1 66 PHE HB2 3.300 . 3.300 2.616 2.368 2.902 . 0 0 "[ . 1 . 2 . 3 . ]" 1
721 1 66 PHE H 1 66 PHE QB 2.900 . 2.900 2.227 2.123 2.266 . 0 0 "[ . 1 . 2 . 3 . ]" 1
722 1 66 PHE H 1 66 PHE HB3 3.300 . 3.300 2.439 2.182 2.662 . 0 0 "[ . 1 . 2 . 3 . ]" 1
723 1 66 PHE H 1 67 ILE H 2.900 . 2.900 2.728 2.563 2.905 0.005 22 0 "[ . 1 . 2 . 3 . ]" 1
724 1 66 PHE H 1 68 LYS H 5.000 . 5.000 4.280 4.033 4.594 . 0 0 "[ . 1 . 2 . 3 . ]" 1
725 1 66 PHE H 1 70 ASN QD 5.900 . 5.900 5.246 5.113 5.330 . 0 0 "[ . 1 . 2 . 3 . ]" 1
726 1 66 PHE HA 1 66 PHE HB2 2.900 . 2.900 2.411 2.295 2.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1
727 1 66 PHE HA 1 66 PHE QB 2.600 . 2.600 2.320 2.223 2.394 . 0 0 "[ . 1 . 2 . 3 . ]" 1
728 1 66 PHE HA 1 66 PHE QD 3.300 . 3.300 3.073 2.637 3.211 . 0 0 "[ . 1 . 2 . 3 . ]" 1
729 1 66 PHE HA 1 69 GLU HB2 2.500 . 2.500 2.516 2.504 2.533 0.033 18 0 "[ . 1 . 2 . 3 . ]" 1
730 1 66 PHE HA 1 69 GLU HB3 2.500 . 2.500 2.388 2.191 2.508 0.008 30 0 "[ . 1 . 2 . 3 . ]" 1
731 1 66 PHE QB 1 67 ILE H 4.200 . 4.200 2.622 2.496 2.922 . 0 0 "[ . 1 . 2 . 3 . ]" 1
732 1 66 PHE QB 1 68 LYS H 5.900 . 5.900 4.867 4.647 5.214 . 0 0 "[ . 1 . 2 . 3 . ]" 1
733 1 66 PHE O 1 70 ASN H 2.300 . 2.300 2.202 2.047 2.312 0.012 2 0 "[ . 1 . 2 . 3 . ]" 1
734 1 66 PHE O 1 70 ASN N 3.300 . 3.300 3.098 2.965 3.243 . 0 0 "[ . 1 . 2 . 3 . ]" 1
735 1 67 ILE H 1 67 ILE HB 3.300 . 3.300 2.488 2.251 2.829 . 0 0 "[ . 1 . 2 . 3 . ]" 1
736 1 67 ILE H 1 67 ILE MD 3.300 . 3.300 2.019 1.892 2.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1
737 1 67 ILE H 1 67 ILE QG 4.200 . 4.200 2.902 1.950 3.434 . 0 0 "[ . 1 . 2 . 3 . ]" 1
738 1 67 ILE H 1 68 LYS H 3.300 . 3.300 2.717 2.649 2.779 . 0 0 "[ . 1 . 2 . 3 . ]" 1
739 1 67 ILE H 1 70 ASN QD 5.900 . 5.900 4.736 4.567 4.896 . 0 0 "[ . 1 . 2 . 3 . ]" 1
740 1 67 ILE HA 1 70 ASN QB 5.900 . 5.900 4.739 4.322 5.231 . 0 0 "[ . 1 . 2 . 3 . ]" 1
741 1 67 ILE HA 1 71 SER H 5.000 . 5.000 4.438 4.289 4.614 . 0 0 "[ . 1 . 2 . 3 . ]" 1
742 1 67 ILE HB 1 68 LYS H 3.300 . 3.300 2.560 2.269 2.733 . 0 0 "[ . 1 . 2 . 3 . ]" 1
743 1 67 ILE QG 1 68 LYS H 5.900 . 5.900 4.293 3.442 4.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1
744 1 67 ILE MG 1 68 LYS H 4.300 . 4.300 3.299 2.861 3.604 . 0 0 "[ . 1 . 2 . 3 . ]" 1
745 1 67 ILE MG 1 68 LYS HA 5.000 . 5.000 3.466 3.148 3.956 . 0 0 "[ . 1 . 2 . 3 . ]" 1
746 1 67 ILE MG 1 71 SER H 6.000 . 6.000 4.446 4.351 4.800 . 0 0 "[ . 1 . 2 . 3 . ]" 1
747 1 67 ILE MG 1 71 SER HB2 4.300 . 4.300 2.966 2.741 3.323 . 0 0 "[ . 1 . 2 . 3 . ]" 1
748 1 67 ILE MG 1 71 SER HB3 4.300 . 4.300 2.722 2.307 3.405 . 0 0 "[ . 1 . 2 . 3 . ]" 1
749 1 67 ILE O 1 71 SER H 2.300 . 2.300 2.313 2.303 2.325 0.025 2 0 "[ . 1 . 2 . 3 . ]" 1
750 1 67 ILE O 1 71 SER N 3.300 . 3.300 2.644 2.567 2.731 . 0 0 "[ . 1 . 2 . 3 . ]" 1
751 1 68 LYS H 1 68 LYS QB 3.400 . 3.400 2.482 2.366 2.643 . 0 0 "[ . 1 . 2 . 3 . ]" 1
752 1 68 LYS H 1 68 LYS QD 5.900 . 5.900 4.160 3.511 4.449 . 0 0 "[ . 1 . 2 . 3 . ]" 1
753 1 68 LYS H 1 68 LYS HG2 3.300 . 3.300 2.785 2.179 3.305 0.005 4 0 "[ . 1 . 2 . 3 . ]" 1
754 1 68 LYS H 1 68 LYS QG 2.800 . 2.800 2.356 1.893 2.611 . 0 0 "[ . 1 . 2 . 3 . ]" 1
755 1 68 LYS H 1 68 LYS HG3 3.300 . 3.300 2.750 1.905 3.307 0.007 14 0 "[ . 1 . 2 . 3 . ]" 1
756 1 68 LYS H 1 69 GLU H 3.300 . 3.300 2.425 2.308 2.509 . 0 0 "[ . 1 . 2 . 3 . ]" 1
757 1 68 LYS HA 1 68 LYS QD 4.200 . 4.200 3.379 2.514 3.840 . 0 0 "[ . 1 . 2 . 3 . ]" 1
758 1 68 LYS HA 1 68 LYS QG 3.700 . 3.700 2.733 2.322 3.412 . 0 0 "[ . 1 . 2 . 3 . ]" 1
759 1 68 LYS HA 1 71 SER QB 4.200 . 4.200 3.815 3.656 3.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1
760 1 68 LYS HA 1 72 PRO HA 2.500 . 2.500 2.486 2.206 2.527 0.027 5 0 "[ . 1 . 2 . 3 . ]" 1
761 1 68 LYS HA 1 72 PRO QB 5.900 . 5.900 4.010 3.427 4.166 . 0 0 "[ . 1 . 2 . 3 . ]" 1
762 1 68 LYS QB 1 69 GLU H 5.900 . 5.900 3.202 2.887 3.757 . 0 0 "[ . 1 . 2 . 3 . ]" 1
763 1 68 LYS QG 1 69 GLU H 5.900 . 5.900 3.705 2.333 4.347 . 0 0 "[ . 1 . 2 . 3 . ]" 1
764 1 68 LYS QG 1 95 GLY QA 5.800 . 5.800 3.716 2.500 4.341 . 0 0 "[ . 1 . 2 . 3 . ]" 1
765 1 68 LYS HG2 1 95 GLY HA3 6.800 . 6.800 4.742 3.531 5.678 . 0 0 "[ . 1 . 2 . 3 . ]" 1
766 1 68 LYS HG3 1 95 GLY HA3 6.800 . 6.800 4.346 2.569 5.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
767 1 69 GLU H 1 69 GLU HB2 2.900 . 2.900 2.427 2.363 2.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1
768 1 69 GLU H 1 69 GLU HB3 2.900 . 2.900 2.633 2.526 2.701 . 0 0 "[ . 1 . 2 . 3 . ]" 1
769 1 69 GLU H 1 70 ASN H 2.900 . 2.900 2.586 2.449 2.761 . 0 0 "[ . 1 . 2 . 3 . ]" 1
770 1 69 GLU HA 1 69 GLU QB 2.600 . 2.600 2.403 2.369 2.431 . 0 0 "[ . 1 . 2 . 3 . ]" 1
771 1 69 GLU HA 1 69 GLU HG2 3.300 . 3.300 2.902 2.296 3.300 0.000 37 0 "[ . 1 . 2 . 3 . ]" 1
772 1 69 GLU HA 1 69 GLU HG3 3.300 . 3.300 2.603 2.285 3.300 . 0 0 "[ . 1 . 2 . 3 . ]" 1
773 1 69 GLU HA 1 70 ASN H 5.000 . 5.000 3.524 3.461 3.555 . 0 0 "[ . 1 . 2 . 3 . ]" 1
774 1 69 GLU HA 1 70 ASN HD21 5.000 . 5.000 4.499 3.996 4.824 . 0 0 "[ . 1 . 2 . 3 . ]" 1
775 1 69 GLU HA 1 70 ASN HD22 5.000 . 5.000 5.011 4.872 5.052 0.052 35 0 "[ . 1 . 2 . 3 . ]" 1
776 1 69 GLU QB 1 70 ASN H 4.200 . 4.200 2.522 2.265 2.881 . 0 0 "[ . 1 . 2 . 3 . ]" 1
777 1 69 GLU QB 1 70 ASN QD 6.700 . 6.700 1.961 1.840 2.042 . 0 0 "[ . 1 . 2 . 3 . ]" 1
778 1 70 ASN H 1 70 ASN QB 3.700 . 3.700 2.902 2.681 3.246 . 0 0 "[ . 1 . 2 . 3 . ]" 1
779 1 70 ASN H 1 70 ASN HD21 3.300 . 3.300 2.148 1.874 2.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1
780 1 70 ASN H 1 70 ASN QD 4.200 . 4.200 2.095 1.862 2.632 . 0 0 "[ . 1 . 2 . 3 . ]" 1
781 1 70 ASN H 1 70 ASN HD22 3.300 . 3.300 3.207 2.848 3.331 0.031 17 0 "[ . 1 . 2 . 3 . ]" 1
782 1 70 ASN H 1 71 SER H 2.900 . 2.900 2.250 1.993 2.439 . 0 0 "[ . 1 . 2 . 3 . ]" 1
783 1 70 ASN H 1 72 PRO QD 5.900 . 5.900 4.305 4.084 4.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1
784 1 70 ASN HA 1 70 ASN QB 2.700 . 2.700 2.228 2.156 2.286 . 0 0 "[ . 1 . 2 . 3 . ]" 1
785 1 70 ASN HA 1 71 SER QB 5.900 . 5.900 4.744 4.534 4.852 . 0 0 "[ . 1 . 2 . 3 . ]" 1
786 1 70 ASN QB 1 71 SER H 5.000 . 5.000 3.741 3.566 3.929 . 0 0 "[ . 1 . 2 . 3 . ]" 1
787 1 70 ASN HB2 1 71 SER H 5.000 . 5.000 3.970 3.743 4.233 . 0 0 "[ . 1 . 2 . 3 . ]" 1
788 1 70 ASN HB3 1 71 SER H 5.000 . 5.000 4.579 4.485 4.674 . 0 0 "[ . 1 . 2 . 3 . ]" 1
789 1 71 SER H 1 71 SER QB 3.700 . 3.700 2.827 2.739 2.918 . 0 0 "[ . 1 . 2 . 3 . ]" 1
790 1 71 SER H 1 72 PRO HD2 5.000 . 5.000 3.982 3.899 4.172 . 0 0 "[ . 1 . 2 . 3 . ]" 1
791 1 71 SER H 1 72 PRO QD 4.100 . 4.100 2.432 2.323 2.615 . 0 0 "[ . 1 . 2 . 3 . ]" 1
792 1 71 SER H 1 72 PRO HD3 5.000 . 5.000 2.454 2.341 2.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1
793 1 71 SER H 1 72 PRO QG 4.200 . 4.200 3.550 3.408 3.587 . 0 0 "[ . 1 . 2 . 3 . ]" 1
794 1 71 SER HA 1 72 PRO HD2 3.300 . 3.300 2.726 2.661 2.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1
795 1 71 SER HA 1 72 PRO HD3 3.300 . 3.300 2.460 2.257 2.563 . 0 0 "[ . 1 . 2 . 3 . ]" 1
796 1 72 PRO HA 1 73 ASP H 3.300 . 3.300 3.408 3.362 3.423 0.123 24 0 "[ . 1 . 2 . 3 . ]" 1
797 1 72 PRO QD 1 73 ASP H 4.200 . 4.200 2.360 2.228 2.433 . 0 0 "[ . 1 . 2 . 3 . ]" 1
798 1 72 PRO QG 1 73 ASP H 4.200 . 4.200 3.807 3.772 3.822 . 0 0 "[ . 1 . 2 . 3 . ]" 1
799 1 72 PRO HG2 1 73 ASP H 5.000 . 5.000 4.093 4.022 4.117 . 0 0 "[ . 1 . 2 . 3 . ]" 1
800 1 72 PRO HG3 1 73 ASP H 5.000 . 5.000 4.529 4.518 4.562 . 0 0 "[ . 1 . 2 . 3 . ]" 1
801 1 73 ASP H 1 73 ASP HB2 3.300 . 3.300 2.622 2.223 2.903 . 0 0 "[ . 1 . 2 . 3 . ]" 1
802 1 73 ASP H 1 73 ASP QB 2.900 . 2.900 2.378 2.190 2.474 . 0 0 "[ . 1 . 2 . 3 . ]" 1
803 1 73 ASP H 1 73 ASP HB3 3.300 . 3.300 2.825 2.575 3.315 0.015 23 0 "[ . 1 . 2 . 3 . ]" 1
804 1 73 ASP H 1 74 SER H 2.900 . 2.900 2.667 2.142 2.902 0.002 20 0 "[ . 1 . 2 . 3 . ]" 1
805 1 73 ASP HA 1 73 ASP QB 2.600 . 2.600 2.445 2.377 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
806 1 73 ASP HA 1 74 SER H 3.300 . 3.300 2.980 2.788 3.364 0.064 31 0 "[ . 1 . 2 . 3 . ]" 1
807 1 74 SER H 1 74 SER HB2 3.300 . 3.300 3.000 2.670 3.330 0.030 18 0 "[ . 1 . 2 . 3 . ]" 1
808 1 74 SER H 1 74 SER HB3 3.300 . 3.300 2.639 2.467 3.352 0.052 2 0 "[ . 1 . 2 . 3 . ]" 1
809 1 74 SER H 1 75 VAL H 5.000 . 5.000 4.338 4.223 4.544 . 0 0 "[ . 1 . 2 . 3 . ]" 1
810 1 74 SER HA 1 74 SER QB 2.600 . 2.600 2.332 2.154 2.371 . 0 0 "[ . 1 . 2 . 3 . ]" 1
811 1 74 SER HA 1 75 VAL H 2.900 . 2.900 2.778 2.553 2.923 0.023 31 0 "[ . 1 . 2 . 3 . ]" 1
812 1 74 SER QB 1 75 VAL H 4.100 . 4.100 2.678 1.771 3.077 0.029 31 0 "[ . 1 . 2 . 3 . ]" 1
813 1 74 SER HB2 1 75 VAL H 5.000 . 5.000 3.294 1.790 3.624 0.010 2 0 "[ . 1 . 2 . 3 . ]" 1
814 1 74 SER HB3 1 75 VAL H 5.000 . 5.000 2.919 2.629 3.381 . 0 0 "[ . 1 . 2 . 3 . ]" 1
815 1 75 VAL H 1 75 VAL HB 3.300 . 3.300 2.901 2.657 3.045 . 0 0 "[ . 1 . 2 . 3 . ]" 1
816 1 75 VAL H 1 75 VAL MG2 4.300 . 4.300 2.906 2.159 3.107 . 0 0 "[ . 1 . 2 . 3 . ]" 1
817 1 75 VAL HA 1 76 VAL H 2.900 . 2.900 2.195 2.111 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
818 1 75 VAL HB 1 116 ALA MB 6.000 . 6.000 2.855 2.532 3.400 . 0 0 "[ . 1 . 2 . 3 . ]" 1
819 1 75 VAL MG1 1 76 VAL H 2.900 . 2.900 2.124 1.766 2.383 0.034 20 0 "[ . 1 . 2 . 3 . ]" 1
820 1 75 VAL MG1 1 77 ILE H 5.000 . 5.000 3.576 2.859 4.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1
821 1 75 VAL MG1 1 97 TYR H 5.000 . 5.000 4.047 3.828 4.144 . 0 0 "[ . 1 . 2 . 3 . ]" 1
822 1 75 VAL MG1 1 97 TYR HB2 3.500 . 3.500 2.293 1.927 2.910 . 0 0 "[ . 1 . 2 . 3 . ]" 1
823 1 75 VAL MG1 1 97 TYR QB 3.400 . 3.400 2.208 1.905 2.638 . 0 0 "[ . 1 . 2 . 3 . ]" 1
824 1 75 VAL MG1 1 97 TYR HB3 3.500 . 3.500 2.967 2.665 3.040 . 0 0 "[ . 1 . 2 . 3 . ]" 1
825 1 75 VAL MG1 1 97 TYR QD 5.700 . 5.700 3.258 2.089 3.912 . 0 0 "[ . 1 . 2 . 3 . ]" 1
826 1 75 VAL MG1 1 116 ALA HA 4.300 . 4.300 3.173 2.616 3.382 . 0 0 "[ . 1 . 2 . 3 . ]" 1
827 1 75 VAL MG1 1 116 ALA MB 4.600 . 4.600 2.016 1.778 2.388 0.022 20 0 "[ . 1 . 2 . 3 . ]" 1
828 1 75 VAL MG2 1 116 ALA MB 5.400 . 5.400 2.247 1.871 2.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1
829 1 75 VAL MG2 1 120 TYR QB 6.900 . 6.900 3.454 1.824 4.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1
830 1 75 VAL MG2 1 120 TYR QD 8.200 . 8.200 4.021 2.030 6.162 . 0 0 "[ . 1 . 2 . 3 . ]" 1
831 1 76 VAL H 1 76 VAL HB 3.300 . 3.300 2.877 2.521 3.258 . 0 0 "[ . 1 . 2 . 3 . ]" 1
832 1 76 VAL H 1 76 VAL MG2 3.300 . 3.300 2.462 2.179 2.655 . 0 0 "[ . 1 . 2 . 3 . ]" 1
833 1 76 VAL H 1 96 ALA HA 5.000 . 5.000 3.573 3.060 4.380 . 0 0 "[ . 1 . 2 . 3 . ]" 1
834 1 76 VAL H 1 97 TYR H 5.000 . 5.000 3.748 3.108 4.252 . 0 0 "[ . 1 . 2 . 3 . ]" 1
835 1 76 VAL HA 1 77 ILE H 2.900 . 2.900 2.187 2.124 2.358 . 0 0 "[ . 1 . 2 . 3 . ]" 1
836 1 76 VAL HB 1 96 ALA H 5.000 . 5.000 4.408 3.868 4.596 . 0 0 "[ . 1 . 2 . 3 . ]" 1
837 1 76 VAL HB 1 96 ALA HA 2.500 . 2.500 1.875 1.779 1.980 0.021 31 0 "[ . 1 . 2 . 3 . ]" 1
838 1 76 VAL HB 1 96 ALA MB 4.300 . 4.300 2.324 1.907 3.422 . 0 0 "[ . 1 . 2 . 3 . ]" 1
839 1 76 VAL MG1 1 77 ILE H 5.000 . 5.000 3.136 2.685 3.714 . 0 0 "[ . 1 . 2 . 3 . ]" 1
840 1 76 VAL MG1 1 96 ALA HA 5.000 . 5.000 3.254 2.101 3.589 . 0 0 "[ . 1 . 2 . 3 . ]" 1
841 1 76 VAL MG2 1 96 ALA H 6.000 . 6.000 4.676 3.966 4.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1
842 1 77 ILE H 1 77 ILE HB 3.300 . 3.300 2.616 2.519 2.800 . 0 0 "[ . 1 . 2 . 3 . ]" 1
843 1 77 ILE HA 1 77 ILE MD 3.300 . 3.300 2.152 1.954 2.465 . 0 0 "[ . 1 . 2 . 3 . ]" 1
844 1 77 ILE HA 1 100 LEU H 5.000 . 5.000 4.789 3.890 5.019 0.019 8 0 "[ . 1 . 2 . 3 . ]" 1
845 1 77 ILE HA 1 100 LEU QB 5.900 . 5.900 4.695 4.186 5.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1
846 1 77 ILE MD 1 97 TYR QE 5.000 . 5.000 3.481 3.236 3.892 . 0 0 "[ . 1 . 2 . 3 . ]" 1
847 1 77 ILE MG 1 100 LEU H 5.000 . 5.000 3.006 2.167 3.886 . 0 0 "[ . 1 . 2 . 3 . ]" 1
848 1 77 ILE MG 1 100 LEU HB2 4.300 . 4.300 2.326 1.873 3.055 . 0 0 "[ . 1 . 2 . 3 . ]" 1
849 1 77 ILE MG 1 100 LEU HB3 4.300 . 4.300 3.271 2.196 3.666 . 0 0 "[ . 1 . 2 . 3 . ]" 1
850 1 77 ILE MG 1 100 LEU MD2 7.100 . 7.100 2.426 1.794 3.110 0.006 30 0 "[ . 1 . 2 . 3 . ]" 1
851 1 78 VAL HA 1 79 ILE H 2.900 . 2.900 2.217 2.127 2.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1
852 1 78 VAL HB 1 79 ILE H 5.000 . 5.000 4.368 4.002 4.493 . 0 0 "[ . 1 . 2 . 3 . ]" 1
853 1 78 VAL HB 1 96 ALA MB 4.300 . 4.300 3.581 3.396 3.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1
854 1 78 VAL HB 1 99 PHE HA 5.000 . 5.000 3.970 3.479 4.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1
855 1 78 VAL HB 1 99 PHE QD 5.000 . 5.000 3.015 2.652 3.520 . 0 0 "[ . 1 . 2 . 3 . ]" 1
856 1 78 VAL QG 1 79 ILE H 4.900 . 4.900 3.105 2.387 3.530 . 0 0 "[ . 1 . 2 . 3 . ]" 1
857 1 78 VAL QG 1 96 ALA MB 6.100 . 6.100 2.761 2.370 3.123 . 0 0 "[ . 1 . 2 . 3 . ]" 1
858 1 78 VAL QG 1 99 PHE HA 7.600 . 7.600 4.264 3.902 4.592 . 0 0 "[ . 1 . 2 . 3 . ]" 1
859 1 78 VAL QG 1 99 PHE QE 4.900 . 4.900 1.929 1.818 2.231 . 0 0 "[ . 1 . 2 . 3 . ]" 1
860 1 79 ILE HA 1 79 ILE HG12 3.300 . 3.300 2.812 2.491 2.912 . 0 0 "[ . 1 . 2 . 3 . ]" 1
861 1 79 ILE HA 1 79 ILE HG13 3.300 . 3.300 3.268 2.954 3.332 0.032 38 0 "[ . 1 . 2 . 3 . ]" 1
862 1 79 ILE HA 1 80 THR H 3.300 . 3.300 2.691 2.182 3.432 0.132 10 0 "[ . 1 . 2 . 3 . ]" 1
863 1 79 ILE HB 1 79 ILE QG 2.600 . 2.600 2.382 2.329 2.418 . 0 0 "[ . 1 . 2 . 3 . ]" 1
864 1 79 ILE MD 1 109 PHE QB 5.200 . 5.200 2.747 1.918 3.425 . 0 0 "[ . 1 . 2 . 3 . ]" 1
865 1 79 ILE MD 1 109 PHE QE 6.500 . 6.500 3.170 2.214 4.540 . 0 0 "[ . 1 . 2 . 3 . ]" 1
866 1 79 ILE QG 1 80 THR H 5.900 . 5.900 4.068 3.714 4.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1
867 1 79 ILE MG 1 80 THR H 2.900 . 2.900 1.963 1.707 2.279 0.093 15 0 "[ . 1 . 2 . 3 . ]" 1
868 1 79 ILE MG 1 99 PHE QB 6.900 . 6.900 4.660 4.083 4.938 . 0 0 "[ . 1 . 2 . 3 . ]" 1
869 1 79 ILE MG 1 100 LEU QB 4.400 . 4.400 1.965 1.719 2.808 0.081 15 0 "[ . 1 . 2 . 3 . ]" 1
870 1 79 ILE MG 1 100 LEU HG 4.300 . 4.300 3.239 2.581 3.485 . 0 0 "[ . 1 . 2 . 3 . ]" 1
871 1 80 THR HA 1 80 THR MG 3.300 . 3.300 2.297 1.997 2.678 . 0 0 "[ . 1 . 2 . 3 . ]" 1
872 1 85 VAL HA 1 88 ALA H 5.000 . 5.000 3.486 3.084 4.238 . 0 0 "[ . 1 . 2 . 3 . ]" 1
873 1 85 VAL HA 1 88 ALA MB 4.300 . 4.300 3.211 2.736 3.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1
874 1 86 ASP H 1 86 ASP QB 3.700 . 3.700 2.546 2.256 2.975 . 0 0 "[ . 1 . 2 . 3 . ]" 1
875 1 86 ASP HA 1 86 ASP QB 2.600 . 2.600 2.300 2.184 2.378 . 0 0 "[ . 1 . 2 . 3 . ]" 1
876 1 86 ASP HA 1 89 VAL HB 5.000 . 5.000 5.012 4.914 5.053 0.053 32 0 "[ . 1 . 2 . 3 . ]" 1
877 1 86 ASP HA 1 89 VAL MG1 4.300 . 4.300 3.362 3.262 3.471 . 0 0 "[ . 1 . 2 . 3 . ]" 1
878 1 86 ASP HA 1 89 VAL MG2 4.300 . 4.300 2.152 2.016 2.282 . 0 0 "[ . 1 . 2 . 3 . ]" 1
879 1 87 THR H 1 87 THR HB 3.300 . 3.300 2.380 2.202 2.582 . 0 0 "[ . 1 . 2 . 3 . ]" 1
880 1 87 THR H 1 88 ALA H 3.300 . 3.300 2.412 2.149 2.799 . 0 0 "[ . 1 . 2 . 3 . ]" 1
881 1 87 THR HA 1 87 THR HB 2.900 . 2.900 2.621 2.539 2.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1
882 1 87 THR HA 1 90 LYS H 3.300 . 3.300 3.329 3.283 3.353 0.053 2 0 "[ . 1 . 2 . 3 . ]" 1
883 1 87 THR HA 1 90 LYS HB2 3.300 . 3.300 3.265 3.009 3.316 0.016 4 0 "[ . 1 . 2 . 3 . ]" 1
884 1 87 THR HA 1 90 LYS QB 2.900 . 2.900 2.279 2.020 2.609 . 0 0 "[ . 1 . 2 . 3 . ]" 1
885 1 87 THR HA 1 90 LYS HB3 3.300 . 3.300 2.333 2.040 2.814 . 0 0 "[ . 1 . 2 . 3 . ]" 1
886 1 87 THR HA 1 90 LYS QD 4.200 . 4.200 3.306 2.946 3.663 . 0 0 "[ . 1 . 2 . 3 . ]" 1
887 1 87 THR HB 1 88 ALA H 5.000 . 5.000 3.726 3.616 3.847 . 0 0 "[ . 1 . 2 . 3 . ]" 1
888 1 87 THR MG 1 88 ALA H 5.000 . 5.000 2.105 1.949 2.334 . 0 0 "[ . 1 . 2 . 3 . ]" 1
889 1 87 THR MG 1 88 ALA MB 7.100 . 7.100 3.063 2.962 3.199 . 0 0 "[ . 1 . 2 . 3 . ]" 1
890 1 87 THR MG 1 99 PHE QE 3.300 . 3.300 2.392 1.869 2.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
891 1 88 ALA H 1 88 ALA MB 3.300 . 3.300 2.202 2.141 2.230 . 0 0 "[ . 1 . 2 . 3 . ]" 1
892 1 88 ALA H 1 89 VAL H 3.300 . 3.300 2.825 2.749 2.898 . 0 0 "[ . 1 . 2 . 3 . ]" 1
893 1 88 ALA H 1 90 LYS QB 5.900 . 5.900 4.581 4.379 4.803 . 0 0 "[ . 1 . 2 . 3 . ]" 1
894 1 88 ALA HA 1 91 ALA MB 4.300 . 4.300 3.045 2.639 3.444 . 0 0 "[ . 1 . 2 . 3 . ]" 1
895 1 88 ALA MB 1 89 VAL H 2.900 . 2.900 2.151 2.050 2.265 . 0 0 "[ . 1 . 2 . 3 . ]" 1
896 1 88 ALA MB 1 99 PHE QB 6.900 . 6.900 1.846 1.754 2.153 0.046 33 0 "[ . 1 . 2 . 3 . ]" 1
897 1 88 ALA MB 1 99 PHE QD 3.300 . 3.300 2.382 2.183 2.559 . 0 0 "[ . 1 . 2 . 3 . ]" 1
898 1 88 ALA MB 1 99 PHE QE 5.000 . 5.000 3.321 2.978 3.696 . 0 0 "[ . 1 . 2 . 3 . ]" 1
899 1 89 VAL H 1 89 VAL MG1 3.300 . 3.300 2.088 1.952 2.290 . 0 0 "[ . 1 . 2 . 3 . ]" 1
900 1 89 VAL H 1 89 VAL MG2 3.500 . 3.500 2.237 2.128 2.460 . 0 0 "[ . 1 . 2 . 3 . ]" 1
901 1 89 VAL H 1 90 LYS H 2.900 . 2.900 2.671 2.572 2.751 . 0 0 "[ . 1 . 2 . 3 . ]" 1
902 1 89 VAL HA 1 92 ILE H 5.000 . 5.000 3.447 3.272 3.683 . 0 0 "[ . 1 . 2 . 3 . ]" 1
903 1 89 VAL HA 1 92 ILE HB 5.000 . 5.000 4.863 4.731 5.021 0.021 27 0 "[ . 1 . 2 . 3 . ]" 1
904 1 89 VAL HA 1 92 ILE QG 5.900 . 5.900 1.902 1.729 2.066 0.071 16 0 "[ . 1 . 2 . 3 . ]" 1
905 1 89 VAL HA 1 92 ILE MG 4.300 . 4.300 3.433 3.318 3.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1
906 1 89 VAL HB 1 90 LYS H 5.000 . 5.000 4.006 3.840 4.111 . 0 0 "[ . 1 . 2 . 3 . ]" 1
907 1 89 VAL MG1 1 90 LYS H 6.000 . 6.000 3.935 3.831 4.029 . 0 0 "[ . 1 . 2 . 3 . ]" 1
908 1 89 VAL MG1 1 92 ILE MD 4.600 . 4.600 2.738 2.550 2.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
909 1 89 VAL MG1 1 92 ILE QG 6.900 . 6.900 3.566 3.391 3.782 . 0 0 "[ . 1 . 2 . 3 . ]" 1
910 1 89 VAL MG2 1 90 LYS QB 5.900 . 5.900 2.898 2.760 3.089 . 0 0 "[ . 1 . 2 . 3 . ]" 1
911 1 89 VAL MG2 1 92 ILE MD 7.100 . 7.100 4.562 4.449 4.681 . 0 0 "[ . 1 . 2 . 3 . ]" 1
912 1 89 VAL MG2 1 92 ILE QG 6.900 . 6.900 4.507 4.369 4.701 . 0 0 "[ . 1 . 2 . 3 . ]" 1
913 1 90 LYS H 1 91 ALA H 3.300 . 3.300 2.594 2.322 3.140 . 0 0 "[ . 1 . 2 . 3 . ]" 1
914 1 90 LYS HA 1 90 LYS QB 2.600 . 2.600 2.360 2.306 2.424 . 0 0 "[ . 1 . 2 . 3 . ]" 1
915 1 90 LYS HA 1 90 LYS HG2 3.300 . 3.300 3.203 2.844 3.333 0.033 34 0 "[ . 1 . 2 . 3 . ]" 1
916 1 90 LYS HA 1 90 LYS HG3 3.300 . 3.300 2.512 2.410 2.696 . 0 0 "[ . 1 . 2 . 3 . ]" 1
917 1 91 ALA HA 1 94 LYS H 5.000 . 5.000 3.964 3.484 5.022 0.022 10 0 "[ . 1 . 2 . 3 . ]" 1
918 1 91 ALA HA 1 94 LYS QB 4.200 . 4.200 3.230 2.712 3.835 . 0 0 "[ . 1 . 2 . 3 . ]" 1
919 1 91 ALA MB 1 92 ILE H 4.300 . 4.300 2.685 2.494 2.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1
920 1 91 ALA MB 1 96 ALA MB 5.400 . 5.400 3.097 2.373 3.491 . 0 0 "[ . 1 . 2 . 3 . ]" 1
921 1 91 ALA MB 1 99 PHE QE 5.000 . 5.000 2.431 1.906 2.748 . 0 0 "[ . 1 . 2 . 3 . ]" 1
922 1 92 ILE H 1 92 ILE HG12 5.000 . 5.000 2.398 2.106 2.620 . 0 0 "[ . 1 . 2 . 3 . ]" 1
923 1 92 ILE H 1 92 ILE QG 4.100 . 4.100 2.366 2.086 2.580 . 0 0 "[ . 1 . 2 . 3 . ]" 1
924 1 92 ILE H 1 92 ILE HG13 5.000 . 5.000 3.620 3.382 3.861 . 0 0 "[ . 1 . 2 . 3 . ]" 1
925 1 92 ILE H 1 92 ILE MG 4.300 . 4.300 1.984 1.848 2.210 . 0 0 "[ . 1 . 2 . 3 . ]" 1
926 1 92 ILE H 1 93 LYS H 5.000 . 5.000 2.896 2.317 4.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1
927 1 92 ILE H 1 94 LYS H 5.000 . 5.000 4.146 3.732 4.716 . 0 0 "[ . 1 . 2 . 3 . ]" 1
928 1 92 ILE HA 1 96 ALA H 3.300 . 3.300 2.632 1.967 3.190 . 0 0 "[ . 1 . 2 . 3 . ]" 1
929 1 92 ILE HA 1 96 ALA MB 3.500 . 3.500 1.847 1.795 2.025 0.005 6 0 "[ . 1 . 2 . 3 . ]" 1
930 1 92 ILE HB 1 93 LYS H 5.000 . 5.000 3.779 2.406 4.315 . 0 0 "[ . 1 . 2 . 3 . ]" 1
931 1 92 ILE HB 1 97 TYR HA 5.000 . 5.000 4.991 4.715 5.052 0.052 27 0 "[ . 1 . 2 . 3 . ]" 1
932 1 92 ILE MD 1 98 GLU HA 3.300 . 3.300 2.419 1.961 2.629 . 0 0 "[ . 1 . 2 . 3 . ]" 1
933 1 92 ILE MD 1 98 GLU HB2 5.000 . 5.000 3.147 2.574 3.926 . 0 0 "[ . 1 . 2 . 3 . ]" 1
934 1 92 ILE MD 1 98 GLU QB 5.200 . 5.200 2.994 2.538 3.502 . 0 0 "[ . 1 . 2 . 3 . ]" 1
935 1 92 ILE MD 1 98 GLU HB3 5.000 . 5.000 3.915 3.571 4.047 . 0 0 "[ . 1 . 2 . 3 . ]" 1
936 1 92 ILE MD 1 99 PHE HB2 6.000 . 6.000 3.400 3.156 3.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1
937 1 92 ILE MD 1 99 PHE HB3 6.000 . 6.000 4.770 4.343 4.906 . 0 0 "[ . 1 . 2 . 3 . ]" 1
938 1 92 ILE MG 1 93 LYS H 5.000 . 5.000 3.802 3.630 4.043 . 0 0 "[ . 1 . 2 . 3 . ]" 1
939 1 92 ILE MG 1 96 ALA MB 5.400 . 5.400 2.588 1.917 2.900 . 0 0 "[ . 1 . 2 . 3 . ]" 1
940 1 92 ILE MG 1 98 GLU QB 5.900 . 5.900 3.489 3.315 3.721 . 0 0 "[ . 1 . 2 . 3 . ]" 1
941 1 93 LYS H 1 94 LYS H 3.300 . 3.300 2.681 2.316 3.356 0.056 5 0 "[ . 1 . 2 . 3 . ]" 1
942 1 93 LYS HA 1 95 GLY H 5.000 . 5.000 4.386 3.675 5.015 0.015 31 0 "[ . 1 . 2 . 3 . ]" 1
943 1 94 LYS H 1 94 LYS QB 3.400 . 3.400 2.302 2.037 2.699 . 0 0 "[ . 1 . 2 . 3 . ]" 1
944 1 94 LYS H 1 95 GLY H 3.300 . 3.300 2.577 1.902 2.968 . 0 0 "[ . 1 . 2 . 3 . ]" 1
945 1 94 LYS HA 1 94 LYS QB 2.600 . 2.600 2.427 2.345 2.527 . 0 0 "[ . 1 . 2 . 3 . ]" 1
946 1 94 LYS QB 1 95 GLY H 5.900 . 5.900 2.667 2.010 3.734 . 0 0 "[ . 1 . 2 . 3 . ]" 1
947 1 95 GLY H 1 96 ALA H 2.900 . 2.900 1.918 1.781 2.247 0.019 4 0 "[ . 1 . 2 . 3 . ]" 1
948 1 95 GLY H 1 96 ALA MB 5.000 . 5.000 3.433 3.225 4.074 . 0 0 "[ . 1 . 2 . 3 . ]" 1
949 1 96 ALA H 1 96 ALA MB 3.300 . 3.300 2.173 2.040 2.272 . 0 0 "[ . 1 . 2 . 3 . ]" 1
950 1 96 ALA H 1 98 GLU H 5.000 . 5.000 4.658 4.177 5.065 0.065 15 0 "[ . 1 . 2 . 3 . ]" 1
951 1 96 ALA HA 1 97 TYR H 2.900 . 2.900 2.660 2.530 2.815 . 0 0 "[ . 1 . 2 . 3 . ]" 1
952 1 96 ALA MB 1 97 TYR H 2.900 . 2.900 2.178 2.019 2.355 . 0 0 "[ . 1 . 2 . 3 . ]" 1
953 1 96 ALA MB 1 98 GLU H 3.300 . 3.300 2.291 2.124 2.599 . 0 0 "[ . 1 . 2 . 3 . ]" 1
954 1 97 TYR H 1 97 TYR HB2 3.300 . 3.300 2.878 2.616 3.278 . 0 0 "[ . 1 . 2 . 3 . ]" 1
955 1 97 TYR H 1 97 TYR HB3 3.300 . 3.300 2.559 2.276 2.825 . 0 0 "[ . 1 . 2 . 3 . ]" 1
956 1 97 TYR H 1 98 GLU H 3.300 . 3.300 2.473 1.994 2.818 . 0 0 "[ . 1 . 2 . 3 . ]" 1
957 1 97 TYR HA 1 97 TYR QB 2.700 . 2.700 2.359 2.215 2.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1
958 1 97 TYR HA 1 97 TYR QD 3.300 . 3.300 2.601 2.268 3.146 . 0 0 "[ . 1 . 2 . 3 . ]" 1
959 1 97 TYR HA 1 98 GLU H 3.300 . 3.300 3.076 2.900 3.411 0.111 25 0 "[ . 1 . 2 . 3 . ]" 1
960 1 97 TYR QB 1 98 GLU H 4.100 . 4.100 3.566 2.972 3.774 . 0 0 "[ . 1 . 2 . 3 . ]" 1
961 1 97 TYR HB2 1 98 GLU H 5.000 . 5.000 4.433 4.133 4.533 . 0 0 "[ . 1 . 2 . 3 . ]" 1
962 1 97 TYR HB3 1 98 GLU H 5.000 . 5.000 3.778 3.047 4.041 . 0 0 "[ . 1 . 2 . 3 . ]" 1
963 1 97 TYR QD 1 98 GLU H 5.000 . 5.000 4.585 3.717 4.856 . 0 0 "[ . 1 . 2 . 3 . ]" 1
964 1 97 TYR QD 1 98 GLU QB 5.900 . 5.900 4.376 3.925 4.732 . 0 0 "[ . 1 . 2 . 3 . ]" 1
965 1 98 GLU H 1 98 GLU HA 2.900 . 2.900 2.384 2.271 2.642 . 0 0 "[ . 1 . 2 . 3 . ]" 1
966 1 98 GLU QB 1 98 GLU QG 2.500 . 2.500 2.054 2.017 2.087 . 0 0 "[ . 1 . 2 . 3 . ]" 1
967 1 98 GLU QG 1 100 LEU MD2 6.900 . 6.900 4.539 3.438 5.120 . 0 0 "[ . 1 . 2 . 3 . ]" 1
968 1 99 PHE HA 1 100 LEU H 3.300 . 3.300 2.222 2.139 2.420 . 0 0 "[ . 1 . 2 . 3 . ]" 1
969 1 100 LEU H 1 100 LEU MD1 5.000 . 5.000 4.013 3.528 4.165 . 0 0 "[ . 1 . 2 . 3 . ]" 1
970 1 100 LEU H 1 100 LEU MD2 5.000 . 5.000 3.924 3.076 4.179 . 0 0 "[ . 1 . 2 . 3 . ]" 1
971 1 100 LEU HA 1 100 LEU MD1 3.500 . 3.500 2.162 1.861 2.827 . 0 0 "[ . 1 . 2 . 3 . ]" 1
972 1 100 LEU HA 1 101 GLU H 2.900 . 2.900 2.285 2.143 2.747 . 0 0 "[ . 1 . 2 . 3 . ]" 1
973 1 100 LEU QB 1 100 LEU HG 2.600 . 2.600 2.228 2.143 2.440 . 0 0 "[ . 1 . 2 . 3 . ]" 1
974 1 100 LEU QB 1 101 GLU H 5.900 . 5.900 3.665 2.952 4.020 . 0 0 "[ . 1 . 2 . 3 . ]" 1
975 1 100 LEU MD1 1 109 PHE H 6.000 . 6.000 3.936 2.565 4.888 . 0 0 "[ . 1 . 2 . 3 . ]" 1
976 1 100 LEU MD1 1 109 PHE HA 4.300 . 4.300 3.100 2.442 3.510 . 0 0 "[ . 1 . 2 . 3 . ]" 1
977 1 100 LEU MD2 1 108 ARG QG 6.900 . 6.900 4.407 3.068 4.997 . 0 0 "[ . 1 . 2 . 3 . ]" 1
978 1 100 LEU MD2 1 109 PHE HA 4.300 . 4.300 2.059 1.751 2.813 0.049 17 0 "[ . 1 . 2 . 3 . ]" 1
979 1 100 LEU MD2 1 109 PHE QB 6.900 . 6.900 2.721 1.811 3.772 . 0 0 "[ . 1 . 2 . 3 . ]" 1
980 1 100 LEU MD2 1 109 PHE QD 5.000 . 5.000 2.295 1.805 3.169 . 0 0 "[ . 1 . 2 . 3 . ]" 1
981 1 101 GLU H 1 101 GLU QB 3.700 . 3.700 2.433 2.063 2.977 . 0 0 "[ . 1 . 2 . 3 . ]" 1
982 1 101 GLU H 1 101 GLU QG 4.200 . 4.200 2.676 1.979 3.784 . 0 0 "[ . 1 . 2 . 3 . ]" 1
983 1 101 GLU HA 1 101 GLU QG 3.700 . 3.700 2.587 2.095 3.346 . 0 0 "[ . 1 . 2 . 3 . ]" 1
984 1 101 GLU QB 1 101 GLU QG 2.500 . 2.500 2.042 1.981 2.086 . 0 0 "[ . 1 . 2 . 3 . ]" 1
985 1 102 LYS H 1 103 PRO HD2 3.300 . 3.300 2.941 1.884 3.319 0.019 10 0 "[ . 1 . 2 . 3 . ]" 1
986 1 102 LYS H 1 103 PRO HD3 3.300 . 3.300 2.551 1.968 3.302 0.002 13 0 "[ . 1 . 2 . 3 . ]" 1
987 1 103 PRO HA 1 104 PHE H 3.300 . 3.300 2.809 2.179 3.399 0.099 35 0 "[ . 1 . 2 . 3 . ]" 1
988 1 104 PHE HA 1 104 PHE QB 2.700 . 2.700 2.465 2.185 2.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1
989 1 105 SER HA 1 105 SER QB 2.600 . 2.600 2.266 2.167 2.371 . 0 0 "[ . 1 . 2 . 3 . ]" 1
990 1 105 SER QB 1 107 GLU H 5.900 . 5.900 3.109 2.247 4.484 . 0 0 "[ . 1 . 2 . 3 . ]" 1
991 1 106 VAL H 1 107 GLU H 5.000 . 5.000 2.516 1.796 3.329 0.004 14 0 "[ . 1 . 2 . 3 . ]" 1
992 1 106 VAL HA 1 106 VAL HB 2.900 . 2.900 2.425 2.281 2.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1
993 1 106 VAL HA 1 109 PHE H 3.300 . 3.300 3.021 2.863 3.221 . 0 0 "[ . 1 . 2 . 3 . ]" 1
994 1 106 VAL HA 1 109 PHE HB2 3.300 . 3.300 3.240 3.074 3.343 0.043 30 0 "[ . 1 . 2 . 3 . ]" 1
995 1 106 VAL HA 1 109 PHE QB 2.800 . 2.800 2.497 1.978 2.626 . 0 0 "[ . 1 . 2 . 3 . ]" 1
996 1 106 VAL HA 1 109 PHE HB3 3.300 . 3.300 2.610 1.993 2.850 . 0 0 "[ . 1 . 2 . 3 . ]" 1
997 1 106 VAL MG2 1 107 GLU H 5.000 . 5.000 3.603 2.515 4.127 . 0 0 "[ . 1 . 2 . 3 . ]" 1
998 1 106 VAL MG2 1 107 GLU HA 5.000 . 5.000 3.752 3.205 4.052 . 0 0 "[ . 1 . 2 . 3 . ]" 1
999 1 106 VAL MG2 1 109 PHE H 6.000 . 6.000 4.001 3.363 4.640 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1000 1 106 VAL MG2 1 109 PHE QB 6.900 . 6.900 2.574 1.792 3.666 0.008 17 0 "[ . 1 . 2 . 3 . ]" 1
1001 1 106 VAL MG2 1 109 PHE QD 5.000 . 5.000 2.189 1.804 2.743 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1002 1 106 VAL MG2 1 110 LEU H 6.000 . 6.000 3.834 3.278 4.410 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1003 1 106 VAL MG2 1 110 LEU HG 6.000 . 6.000 4.426 3.521 4.895 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1004 1 106 VAL O 1 110 LEU H 2.300 . 2.300 2.297 2.098 2.368 0.068 25 0 "[ . 1 . 2 . 3 . ]" 1
1005 1 106 VAL O 1 110 LEU N 3.300 . 3.300 3.096 2.833 3.270 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1006 1 107 GLU H 1 107 GLU HB2 2.900 . 2.900 2.293 2.191 2.806 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1007 1 107 GLU H 1 107 GLU HB3 2.900 . 2.900 2.808 2.276 2.916 0.016 8 0 "[ . 1 . 2 . 3 . ]" 1
1008 1 107 GLU H 1 107 GLU QG 4.200 . 4.200 3.842 3.808 3.933 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1009 1 107 GLU H 1 108 ARG H 3.300 . 3.300 2.829 2.358 3.093 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1010 1 107 GLU HA 1 107 GLU QB 2.600 . 2.600 2.426 2.253 2.497 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1011 1 107 GLU HA 1 107 GLU QG 3.400 . 3.400 2.328 2.082 2.665 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1012 1 107 GLU HA 1 110 LEU H 5.000 . 5.000 3.517 3.269 3.847 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1013 1 107 GLU HA 1 110 LEU HB2 5.000 . 5.000 2.874 2.557 3.343 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1014 1 107 GLU HA 1 110 LEU QB 4.100 . 4.100 2.829 2.521 3.291 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1015 1 107 GLU HA 1 110 LEU HB3 5.000 . 5.000 4.247 3.750 4.911 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1016 1 107 GLU HA 1 110 LEU MD1 4.300 . 4.300 3.168 2.592 3.403 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1017 1 107 GLU QB 1 107 GLU QG 2.500 . 2.500 2.054 2.013 2.083 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1018 1 107 GLU QG 1 108 ARG H 5.900 . 5.900 3.979 2.855 4.414 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1019 1 107 GLU QG 1 111 LEU QD 6.800 . 6.800 3.644 2.697 4.037 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1020 1 108 ARG H 1 108 ARG QB 3.400 . 3.400 2.189 2.049 2.630 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1021 1 108 ARG H 1 109 PHE H 3.300 . 3.300 2.545 2.439 2.710 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1022 1 108 ARG H 1 109 PHE QB 5.900 . 5.900 4.231 4.064 4.408 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1023 1 108 ARG HA 1 108 ARG QD 4.200 . 4.200 3.050 1.956 3.812 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1024 1 108 ARG HA 1 108 ARG QG 3.400 . 3.400 2.358 2.007 2.964 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1025 1 108 ARG HA 1 111 LEU MD1 6.000 . 6.000 2.032 1.830 2.480 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1026 1 108 ARG HA 1 111 LEU QD 5.000 . 5.000 2.023 1.829 2.471 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1027 1 108 ARG HA 1 111 LEU MD2 6.000 . 6.000 4.070 3.157 4.836 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1028 1 108 ARG QB 1 109 PHE H 4.200 . 4.200 2.692 2.512 2.939 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1029 1 108 ARG QG 1 109 PHE H 5.900 . 5.900 4.179 3.651 4.639 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1030 1 109 PHE H 1 109 PHE HB2 3.300 . 3.300 2.757 2.602 3.101 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1031 1 109 PHE H 1 109 PHE QB 2.900 . 2.900 2.182 2.029 2.235 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1032 1 109 PHE H 1 109 PHE HB3 3.300 . 3.300 2.298 2.057 2.435 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1033 1 109 PHE H 1 110 LEU H 3.300 . 3.300 2.641 2.536 2.742 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1034 1 109 PHE HA 1 109 PHE QB 2.700 . 2.700 2.277 2.177 2.332 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1035 1 109 PHE HA 1 109 PHE QD 3.300 . 3.300 2.616 2.163 3.458 0.158 7 0 "[ . 1 . 2 . 3 . ]" 1
1036 1 109 PHE HA 1 112 THR HB 3.300 . 3.300 3.070 2.409 3.323 0.023 14 0 "[ . 1 . 2 . 3 . ]" 1
1037 1 109 PHE QB 1 110 LEU H 4.200 . 4.200 2.860 2.528 3.236 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1038 1 109 PHE QB 1 111 LEU H 5.900 . 5.900 5.040 4.614 5.289 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1039 1 109 PHE QD 1 110 LEU H 5.000 . 5.000 3.705 2.665 4.253 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1040 1 109 PHE HZ 1 113 ILE QG 4.200 . 4.200 2.944 2.464 3.670 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1041 1 109 PHE O 1 113 ILE H 2.300 . 2.300 2.114 1.769 2.334 0.034 3 0 "[ . 1 . 2 . 3 . ]" 1
1042 1 109 PHE O 1 113 ILE N 3.300 . 3.300 3.043 2.651 3.280 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1043 1 110 LEU H 1 110 LEU HB2 3.300 . 3.300 2.075 2.034 2.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1044 1 110 LEU H 1 110 LEU QB 2.900 . 2.900 2.044 2.015 2.103 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1045 1 110 LEU H 1 110 LEU HB3 3.300 . 3.300 3.091 2.871 3.322 0.022 21 0 "[ . 1 . 2 . 3 . ]" 1
1046 1 110 LEU H 1 110 LEU MD1 5.000 . 5.000 3.960 3.746 4.124 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1047 1 110 LEU H 1 111 LEU H 3.300 . 3.300 2.798 2.616 2.986 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1048 1 110 LEU HA 1 110 LEU QB 2.600 . 2.600 2.499 2.454 2.522 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1049 1 110 LEU HA 1 110 LEU MD1 4.300 . 4.300 3.680 3.602 3.735 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1050 1 110 LEU HA 1 110 LEU MD2 3.500 . 3.500 2.566 1.957 2.850 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1051 1 110 LEU HA 1 110 LEU HG 3.300 . 3.300 2.344 2.209 2.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1052 1 110 LEU HA 1 113 ILE H 5.000 . 5.000 3.675 3.371 4.028 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1053 1 110 LEU HA 1 113 ILE HB 3.300 . 3.300 2.776 2.362 3.309 0.009 8 0 "[ . 1 . 2 . 3 . ]" 1
1054 1 110 LEU HA 1 113 ILE QG 5.900 . 5.900 3.138 2.844 3.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1055 1 110 LEU QB 1 111 LEU H 4.200 . 4.200 2.495 2.072 2.883 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1056 1 110 LEU HB2 1 111 LEU H 3.300 . 3.300 3.283 2.927 3.336 0.036 11 0 "[ . 1 . 2 . 3 . ]" 1
1057 1 110 LEU HB3 1 111 LEU H 3.300 . 3.300 2.606 2.093 3.206 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1058 1 111 LEU H 1 111 LEU QB 3.300 . 3.300 2.395 2.216 2.528 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1059 1 111 LEU H 1 112 THR H 2.900 . 2.900 2.838 2.442 2.934 0.034 11 0 "[ . 1 . 2 . 3 . ]" 1
1060 1 111 LEU HA 1 111 LEU QB 2.600 . 2.600 2.395 2.336 2.456 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1061 1 111 LEU HA 1 111 LEU HG 2.500 . 2.500 2.407 2.260 2.514 0.014 2 0 "[ . 1 . 2 . 3 . ]" 1
1062 1 111 LEU HA 1 113 ILE H 5.000 . 5.000 4.475 3.940 4.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1063 1 111 LEU HA 1 114 LYS QB 4.200 . 4.200 3.555 2.742 3.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1064 1 111 LEU QB 1 112 THR H 4.200 . 4.200 2.379 2.148 2.681 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1065 1 111 LEU QD 1 112 THR H 7.600 . 7.600 3.597 3.289 3.960 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1066 1 112 THR H 1 112 THR HB 2.900 . 2.900 2.528 2.421 2.644 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1067 1 112 THR HA 1 115 HIS H 5.000 . 5.000 3.664 3.380 4.114 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1068 1 112 THR HA 1 115 HIS QB 3.800 . 3.800 2.705 1.999 3.476 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1069 1 112 THR HB 1 113 ILE H 3.300 . 3.300 2.560 2.204 2.842 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1070 1 112 THR MG 1 113 ILE H 4.300 . 4.300 3.453 3.100 3.570 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1071 1 112 THR MG 1 115 HIS QB 6.900 . 6.900 3.503 3.046 4.333 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1072 1 113 ILE H 1 113 ILE HB 2.900 . 2.900 2.342 2.179 2.538 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1073 1 113 ILE H 1 113 ILE MD 5.000 . 5.000 3.573 2.060 3.904 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1074 1 113 ILE H 1 113 ILE HG12 5.000 . 5.000 2.568 2.144 3.865 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1075 1 113 ILE H 1 113 ILE QG 4.100 . 4.100 2.523 2.129 3.477 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1076 1 113 ILE H 1 113 ILE HG13 5.000 . 5.000 3.812 3.612 3.971 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1077 1 113 ILE H 1 114 LYS H 3.300 . 3.300 3.055 2.781 3.349 0.049 18 0 "[ . 1 . 2 . 3 . ]" 1
1078 1 113 ILE HA 1 113 ILE MD 3.500 . 3.500 2.038 1.933 2.183 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1079 1 113 ILE HA 1 113 ILE QG 3.400 . 3.400 2.659 2.410 2.876 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1080 1 113 ILE HA 1 115 HIS H 5.000 . 5.000 4.538 3.749 4.967 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1081 1 113 ILE HA 1 116 ALA H 3.300 . 3.300 3.336 3.244 3.391 0.091 18 0 "[ . 1 . 2 . 3 . ]" 1
1082 1 113 ILE HA 1 116 ALA MB 3.500 . 3.500 2.352 2.013 2.780 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1083 1 113 ILE HB 1 113 ILE QG 2.600 . 2.600 2.188 2.182 2.327 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1084 1 113 ILE HB 1 114 LYS H 3.300 . 3.300 2.456 1.987 2.704 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1085 1 113 ILE MG 1 114 LYS H 3.300 . 3.300 2.515 2.471 2.583 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1086 1 113 ILE MG 1 114 LYS HA 6.000 . 6.000 2.898 2.790 3.145 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1087 1 113 ILE MG 1 117 PHE QD 5.000 . 5.000 2.370 1.935 3.229 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1088 1 113 ILE MG 1 117 PHE QE 5.000 . 5.000 2.105 1.854 2.941 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1089 1 114 LYS H 1 114 LYS QB 3.400 . 3.400 2.243 2.101 2.664 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1090 1 114 LYS H 1 115 HIS H 2.900 . 2.900 2.901 2.679 3.019 0.119 21 0 "[ . 1 . 2 . 3 . ]" 1
1091 1 114 LYS HA 1 114 LYS QB 2.600 . 2.600 2.365 2.147 2.495 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1092 1 114 LYS HA 1 114 LYS QG 3.400 . 3.400 2.448 2.180 3.331 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1093 1 114 LYS HA 1 117 PHE H 5.000 . 5.000 3.559 3.345 4.024 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1094 1 114 LYS HA 1 117 PHE HB2 5.000 . 5.000 3.099 2.492 3.354 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1095 1 114 LYS HA 1 117 PHE HB3 5.000 . 5.000 4.745 4.036 5.017 0.017 6 0 "[ . 1 . 2 . 3 . ]" 1
1096 1 114 LYS HA 1 117 PHE QD 5.000 . 5.000 3.057 2.372 3.628 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1097 1 114 LYS QB 1 115 HIS H 5.900 . 5.900 2.483 2.019 3.700 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1098 1 114 LYS QD 1 115 HIS HA 4.200 . 4.200 3.014 2.410 3.647 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1099 1 114 LYS QE 1 116 ALA H 5.900 . 5.900 5.130 4.526 5.322 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1100 1 115 HIS H 1 115 HIS HA 2.900 . 2.900 2.812 2.738 2.912 0.012 3 0 "[ . 1 . 2 . 3 . ]" 1
1101 1 115 HIS H 1 115 HIS QB 3.500 . 3.500 2.243 2.043 2.660 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1102 1 115 HIS HA 1 115 HIS QB 2.600 . 2.600 2.434 2.309 2.526 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1103 1 115 HIS HA 1 118 GLU QB 5.900 . 5.900 2.839 2.053 3.733 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1104 1 115 HIS HA 1 118 GLU QG 5.900 . 5.900 3.333 1.845 5.035 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1105 1 115 HIS QB 1 116 ALA H 3.800 . 3.800 2.874 2.606 3.070 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1106 1 116 ALA H 1 116 ALA MB 2.900 . 2.900 2.134 2.023 2.294 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1107 1 116 ALA H 1 117 PHE H 2.900 . 2.900 2.569 2.328 2.713 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1108 1 116 ALA HA 1 117 PHE H 5.000 . 5.000 3.523 3.476 3.566 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1109 1 116 ALA HA 1 119 GLU H 5.000 . 5.000 4.017 3.327 4.646 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1110 1 116 ALA HA 1 119 GLU QB 5.900 . 5.900 3.956 2.503 5.163 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1111 1 116 ALA MB 1 117 PHE H 4.300 . 4.300 2.661 2.302 2.801 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1112 1 116 ALA MB 1 118 GLU H 6.000 . 6.000 4.414 4.154 4.985 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1113 1 117 PHE H 1 117 PHE QB 2.900 . 2.900 2.223 2.167 2.310 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1114 1 117 PHE H 1 117 PHE QD 3.300 . 3.300 2.659 2.183 3.486 0.186 6 0 "[ . 1 . 2 . 3 . ]" 1
1115 1 117 PHE H 1 118 GLU H 2.900 . 2.900 2.542 2.309 2.809 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1116 1 117 PHE HA 1 117 PHE QB 2.700 . 2.700 2.461 2.434 2.480 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1117 1 117 PHE HA 1 117 PHE QD 3.300 . 3.300 2.788 1.894 3.053 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1118 1 117 PHE HA 1 120 TYR QB 5.000 . 5.000 3.484 2.561 4.486 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1119 1 117 PHE QB 1 118 GLU H 4.100 . 4.100 2.892 2.291 3.185 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1120 1 117 PHE QB 1 118 GLU QB 6.800 . 6.800 4.447 3.791 4.899 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1121 1 117 PHE QB 1 118 GLU QG 6.800 . 6.800 4.008 2.867 5.415 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1122 1 117 PHE HB2 1 118 GLU H 5.000 . 5.000 3.032 2.388 3.376 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1123 1 117 PHE HB3 1 118 GLU H 5.000 . 5.000 3.661 2.895 4.001 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1124 1 118 GLU H 1 118 GLU QB 3.400 . 3.400 2.311 2.031 2.585 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1125 1 118 GLU H 1 118 GLU QG 4.200 . 4.200 2.869 2.065 3.834 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1126 1 118 GLU HA 1 118 GLU QB 2.600 . 2.600 2.421 2.297 2.525 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1127 1 118 GLU HA 1 118 GLU QG 3.400 . 3.400 2.373 2.129 2.936 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1128 1 118 GLU HA 1 121 SER QB 5.900 . 5.900 4.025 2.612 5.317 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1129 1 118 GLU QB 1 118 GLU QG 2.500 . 2.500 2.043 1.987 2.085 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1130 1 119 GLU H 1 119 GLU QB 3.400 . 3.400 2.469 2.136 2.777 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1131 1 119 GLU H 1 119 GLU QG 3.400 . 3.400 2.463 1.927 3.077 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1132 1 119 GLU H 1 120 TYR H 3.300 . 3.300 2.748 1.964 3.192 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1133 1 119 GLU H 1 121 SER H 5.000 . 5.000 4.810 4.195 5.018 0.018 18 0 "[ . 1 . 2 . 3 . ]" 1
1134 1 119 GLU HA 1 119 GLU QB 2.600 . 2.600 2.350 2.150 2.487 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1135 1 119 GLU HA 1 119 GLU QG 3.400 . 3.400 2.545 2.116 3.241 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1136 1 119 GLU HA 1 120 TYR H 3.300 . 3.300 3.107 2.747 3.402 0.102 4 0 "[ . 1 . 2 . 3 . ]" 1
1137 1 120 TYR H 1 120 TYR HB2 3.300 . 3.300 2.935 2.566 3.301 0.001 5 0 "[ . 1 . 2 . 3 . ]" 1
1138 1 120 TYR H 1 120 TYR HB3 3.300 . 3.300 3.060 2.580 3.344 0.044 19 0 "[ . 1 . 2 . 3 . ]" 1
1139 1 120 TYR H 1 121 SER H 5.000 . 5.000 2.450 1.943 3.102 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1140 1 120 TYR HA 1 120 TYR QB 2.700 . 2.700 2.467 2.372 2.539 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1141 1 120 TYR HA 1 121 SER H 3.300 . 3.300 2.856 2.427 3.093 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1142 1 120 TYR HB2 1 121 SER H 5.000 . 5.000 4.512 4.401 4.658 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1143 1 120 TYR HB3 1 121 SER H 5.000 . 5.000 4.145 3.887 4.339 . 0 0 "[ . 1 . 2 . 3 . ]" 1
1144 1 121 SER H 1 121 SER QB 3.700 . 3.700 2.735 2.057 3.297 . 0 0 "[ . 1 . 2 . 3 . ]" 1
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