NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383915 |
1k45   |
5181 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k45
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 1522
_Distance_constraint_stats_list.Viol_count 289
_Distance_constraint_stats_list.Viol_total 11.779
_Distance_constraint_stats_list.Viol_max 0.351
_Distance_constraint_stats_list.Viol_rms 0.0292
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0408
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ ]"
1 3 VAL 0.017 0.008 1 0 "[ ]"
1 4 ALA 0.017 0.008 1 0 "[ ]"
1 5 ASN 0.013 0.006 1 0 "[ ]"
1 6 ILE 0.006 0.006 1 0 "[ ]"
1 7 ASN 0.016 0.006 1 0 "[ ]"
1 8 GLY 0.034 0.032 1 0 "[ ]"
1 9 GLY 0.000 0.000 . 0 "[ ]"
1 10 PHE 0.006 0.004 1 0 "[ ]"
1 11 GLU 0.005 0.005 1 0 "[ ]"
1 12 SER 0.005 0.005 1 0 "[ ]"
1 13 THR 0.193 0.102 1 0 "[ ]"
1 14 PRO 0.201 0.139 1 0 "[ ]"
1 15 ALA 0.152 0.139 1 0 "[ ]"
1 16 GLY 0.077 0.074 1 0 "[ ]"
1 17 VAL 0.179 0.074 1 0 "[ ]"
1 18 VAL 0.296 0.121 1 0 "[ ]"
1 19 THR 0.162 0.121 1 0 "[ ]"
1 20 ASP 0.006 0.006 1 0 "[ ]"
1 21 LEU 0.259 0.080 1 0 "[ ]"
1 22 ALA 0.100 0.049 1 0 "[ ]"
1 23 GLU 0.001 0.001 1 0 "[ ]"
1 24 GLY 0.013 0.013 1 0 "[ ]"
1 25 VAL 0.120 0.102 1 0 "[ ]"
1 26 GLU 0.022 0.009 1 0 "[ ]"
1 27 GLY 0.009 0.009 1 0 "[ ]"
1 28 TRP 0.358 0.092 1 0 "[ ]"
1 29 ASP 0.169 0.080 1 0 "[ ]"
1 30 LEU 0.348 0.096 1 0 "[ ]"
1 31 ASN 0.121 0.096 1 0 "[ ]"
1 32 VAL 0.197 0.077 1 0 "[ ]"
1 33 GLY 0.028 0.028 1 0 "[ ]"
1 34 SER 0.000 0.000 . 0 "[ ]"
1 35 SER 0.001 0.001 1 0 "[ ]"
1 36 VAL 0.450 0.259 1 0 "[ ]"
1 37 THR 0.242 0.148 1 0 "[ ]"
1 38 ASN 0.292 0.148 1 0 "[ ]"
1 39 PRO 0.073 0.045 1 0 "[ ]"
1 40 PRO 0.062 0.028 1 0 "[ ]"
1 41 VAL 0.172 0.089 1 0 "[ ]"
1 42 PHE 0.481 0.312 1 0 "[ ]"
1 43 GLU 0.134 0.089 1 0 "[ ]"
1 44 VAL 0.077 0.043 1 0 "[ ]"
1 45 LEU 0.262 0.170 1 0 "[ ]"
1 46 GLU 0.332 0.170 1 0 "[ ]"
1 47 THR 0.073 0.042 1 0 "[ ]"
1 48 SER 0.000 0.000 . 0 "[ ]"
1 49 ASP 0.000 0.000 . 0 "[ ]"
1 50 ALA 0.009 0.005 1 0 "[ ]"
1 51 PRO 0.000 0.000 . 0 "[ ]"
1 52 GLU 0.005 0.005 1 0 "[ ]"
1 53 GLY 0.000 0.000 . 0 "[ ]"
1 54 ASN 0.004 0.002 1 0 "[ ]"
1 55 LYS 0.004 0.002 1 0 "[ ]"
1 56 VAL 0.092 0.064 1 0 "[ ]"
1 57 LEU 0.350 0.067 1 0 "[ ]"
1 58 ALA 0.104 0.065 1 0 "[ ]"
1 59 VAL 0.866 0.351 1 0 "[ ]"
1 60 THR 0.450 0.218 1 0 "[ ]"
1 61 VAL 0.007 0.007 1 0 "[ ]"
1 62 ASN 0.122 0.065 1 0 "[ ]"
1 63 GLY 0.024 0.012 1 0 "[ ]"
1 64 VAL 0.147 0.037 1 0 "[ ]"
1 65 GLY 0.024 0.024 1 0 "[ ]"
1 66 ASN 0.001 0.001 1 0 "[ ]"
1 67 ASN 0.047 0.040 1 0 "[ ]"
1 68 PRO 0.040 0.040 1 0 "[ ]"
1 69 TRP 0.000 0.000 . 0 "[ ]"
1 70 ASP 0.040 0.028 1 0 "[ ]"
1 71 ILE 0.052 0.046 1 0 "[ ]"
1 72 GLU 0.000 0.000 . 0 "[ ]"
1 73 ALA 0.199 0.067 1 0 "[ ]"
1 74 THR 0.137 0.056 1 0 "[ ]"
1 75 ALA 0.200 0.095 1 0 "[ ]"
1 76 PHE 0.138 0.095 1 0 "[ ]"
1 77 PRO 0.029 0.029 1 0 "[ ]"
1 78 VAL 0.038 0.022 1 0 "[ ]"
1 79 ASN 0.026 0.022 1 0 "[ ]"
1 80 VAL 0.064 0.029 1 0 "[ ]"
1 81 ARG 0.071 0.033 1 0 "[ ]"
1 82 PRO 0.039 0.033 1 0 "[ ]"
1 83 GLY 0.006 0.006 1 0 "[ ]"
1 84 VAL 0.611 0.270 1 0 "[ ]"
1 85 THR 0.299 0.270 1 0 "[ ]"
1 86 TYR 0.006 0.003 1 0 "[ ]"
1 87 THR 0.001 0.001 1 0 "[ ]"
1 88 TYR 0.017 0.017 1 0 "[ ]"
1 89 THR 0.149 0.093 1 0 "[ ]"
1 90 ILE 0.139 0.063 1 0 "[ ]"
1 91 TRP 0.126 0.069 1 0 "[ ]"
1 92 ALA 0.040 0.027 1 0 "[ ]"
1 93 ARG 0.165 0.068 1 0 "[ ]"
1 94 ALA 0.097 0.046 1 0 "[ ]"
1 95 GLU 0.055 0.051 1 0 "[ ]"
1 96 GLN 0.009 0.004 1 0 "[ ]"
1 97 ASP 0.129 0.074 1 0 "[ ]"
1 98 GLY 0.000 0.000 . 0 "[ ]"
1 99 ALA 0.254 0.099 1 0 "[ ]"
1 100 VAL 0.368 0.099 1 0 "[ ]"
1 101 VAL 0.311 0.067 1 0 "[ ]"
1 102 SER 0.061 0.033 1 0 "[ ]"
1 103 PHE 0.060 0.022 1 0 "[ ]"
1 104 THR 0.301 0.169 1 0 "[ ]"
1 105 VAL 0.922 0.279 1 0 "[ ]"
1 106 GLY 0.000 0.000 . 0 "[ ]"
1 107 ASN 0.055 0.028 1 0 "[ ]"
1 108 GLN 0.004 0.004 1 0 "[ ]"
1 109 SER 0.103 0.103 1 0 "[ ]"
1 110 PHE 0.011 0.011 1 0 "[ ]"
1 111 GLN 0.028 0.028 1 0 "[ ]"
1 112 GLU 0.012 0.012 1 0 "[ ]"
1 113 TYR 0.084 0.025 1 0 "[ ]"
1 114 GLY 0.213 0.103 1 0 "[ ]"
1 115 ARG 0.000 0.000 . 0 "[ ]"
1 116 LEU 0.089 0.024 1 0 "[ ]"
1 117 HIS 0.033 0.033 1 0 "[ ]"
1 118 GLU 0.000 0.000 . 0 "[ ]"
1 119 GLN 0.009 0.007 1 0 "[ ]"
1 120 GLN 0.000 0.000 . 0 "[ ]"
1 121 ILE 0.191 0.091 1 0 "[ ]"
1 122 THR 0.413 0.171 1 0 "[ ]"
1 123 THR 0.203 0.143 1 0 "[ ]"
1 124 GLU 0.000 0.000 . 0 "[ ]"
1 125 TRP 0.004 0.004 1 0 "[ ]"
1 126 GLN 0.064 0.064 1 0 "[ ]"
1 127 PRO 0.064 0.064 1 0 "[ ]"
1 128 PHE 0.273 0.107 1 0 "[ ]"
1 129 THR 0.442 0.269 1 0 "[ ]"
1 130 PHE 0.516 0.269 1 0 "[ ]"
1 131 GLU 0.008 0.008 1 0 "[ ]"
1 132 PHE 0.000 0.000 . 0 "[ ]"
1 133 THR 0.018 0.018 1 0 "[ ]"
1 134 VAL 0.204 0.080 1 0 "[ ]"
1 135 SER 0.013 0.011 1 0 "[ ]"
1 136 ASP 0.225 0.153 1 0 "[ ]"
1 137 GLN 0.188 0.153 1 0 "[ ]"
1 138 GLU 0.158 0.080 1 0 "[ ]"
1 139 THR 0.017 0.009 1 0 "[ ]"
1 140 VAL 0.068 0.029 1 0 "[ ]"
1 141 ILE 0.167 0.060 1 0 "[ ]"
1 142 ARG 0.096 0.060 1 0 "[ ]"
1 143 ALA 0.180 0.105 1 0 "[ ]"
1 144 PRO 0.028 0.026 1 0 "[ ]"
1 145 ILE 0.288 0.092 1 0 "[ ]"
1 146 HIS 0.102 0.066 1 0 "[ ]"
1 147 PHE 0.061 0.036 1 0 "[ ]"
1 148 GLY 0.112 0.066 1 0 "[ ]"
1 149 TYR 0.195 0.181 1 0 "[ ]"
1 150 ALA 0.235 0.181 1 0 "[ ]"
1 151 ALA 0.222 0.178 1 0 "[ ]"
1 152 ASN 0.038 0.022 1 0 "[ ]"
1 153 VAL 0.503 0.232 1 0 "[ ]"
1 154 GLY 0.025 0.018 1 0 "[ ]"
1 155 ASN 0.007 0.004 1 0 "[ ]"
1 156 THR 0.003 0.003 1 0 "[ ]"
1 157 ILE 0.225 0.067 1 0 "[ ]"
1 158 TYR 0.170 0.066 1 0 "[ ]"
1 159 ILE 0.264 0.073 1 0 "[ ]"
1 160 ASP 0.095 0.069 1 0 "[ ]"
1 161 GLY 0.007 0.007 1 0 "[ ]"
1 162 LEU 0.176 0.081 1 0 "[ ]"
1 163 ALA 0.083 0.038 1 0 "[ ]"
1 164 ILE 0.021 0.013 1 0 "[ ]"
1 165 ALA 0.017 0.017 1 0 "[ ]"
1 166 SER 0.023 0.017 1 0 "[ ]"
1 167 GLN 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET ME 1 165 ALA MB 3.300 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 1
2 1 3 VAL MG2 1 4 ALA H 3.800 . 3.800 1.892 1.892 1.892 0.008 1 0 "[ ]" 1
3 1 3 VAL MG1 1 4 ALA H 2.800 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
4 1 3 VAL H 1 4 ALA H 5.500 . 5.500 4.382 4.382 4.382 . 0 0 "[ ]" 1
5 1 3 VAL MG2 1 5 ASN H 3.300 . 3.300 2.763 2.763 2.763 . 0 0 "[ ]" 1
6 1 3 VAL MG1 1 5 ASN H 2.800 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
7 1 3 VAL MG2 1 164 ILE H 4.200 . 4.200 2.875 2.875 2.875 . 0 0 "[ ]" 1
8 1 3 VAL MG1 1 164 ILE H 3.300 . 3.300 3.305 3.305 3.305 0.005 1 0 "[ ]" 1
9 1 3 VAL MG1 1 165 ALA HA 5.500 . 5.500 5.215 5.215 5.215 . 0 0 "[ ]" 1
10 1 4 ALA H 1 4 ALA MB 2.800 . 2.800 2.235 2.235 2.235 . 0 0 "[ ]" 1
11 1 4 ALA HA 1 5 ASN H 3.800 . 3.800 3.588 3.588 3.588 . 0 0 "[ ]" 1
12 1 4 ALA H 1 5 ASN H 2.800 . 2.800 2.803 2.803 2.803 0.003 1 0 "[ ]" 1
13 1 4 ALA HA 1 78 VAL MG1 5.500 . 5.500 3.126 3.126 3.126 . 0 0 "[ ]" 1
14 1 4 ALA MB 1 78 VAL HA 4.200 . 4.200 3.464 3.464 3.464 . 0 0 "[ ]" 1
15 1 4 ALA H 1 78 VAL MG1 5.500 . 5.500 4.194 4.194 4.194 . 0 0 "[ ]" 1
16 1 4 ALA HA 1 79 ASN QB 5.500 . 5.500 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
17 1 4 ALA HA 1 79 ASN H 3.300 . 3.300 2.049 2.049 2.049 . 0 0 "[ ]" 1
18 1 4 ALA MB 1 80 VAL MG1 2.800 . 2.800 2.636 2.636 2.636 . 0 0 "[ ]" 1
19 1 4 ALA MB 1 86 TYR QD 4.200 . 4.200 2.358 2.358 2.358 . 0 0 "[ ]" 1
20 1 4 ALA H 1 164 ILE HB 4.200 . 4.200 4.200 4.200 4.200 0.000 1 0 "[ ]" 1
21 1 4 ALA H 1 164 ILE MG 5.500 . 5.500 3.969 3.969 3.969 . 0 0 "[ ]" 1
22 1 4 ALA H 1 164 ILE H 5.500 . 5.500 4.058 4.058 4.058 . 0 0 "[ ]" 1
23 1 4 ALA H 1 165 ALA HA 4.200 . 4.200 3.327 3.327 3.327 . 0 0 "[ ]" 1
24 1 4 ALA H 1 165 ALA MB 4.200 . 4.200 3.094 3.094 3.094 . 0 0 "[ ]" 1
25 1 5 ASN HA 1 5 ASN QB 3.800 . 3.800 2.380 2.380 2.380 . 0 0 "[ ]" 1
26 1 5 ASN QB 1 5 ASN QD 5.500 . 5.500 2.268 2.268 2.268 . 0 0 "[ ]" 1
27 1 5 ASN H 1 5 ASN QB 4.200 . 4.200 2.293 2.293 2.293 . 0 0 "[ ]" 1
28 1 5 ASN HA 1 6 ILE H 3.300 . 3.300 2.211 2.211 2.211 . 0 0 "[ ]" 1
29 1 5 ASN QB 1 6 ILE H 3.800 . 3.800 3.745 3.745 3.745 . 0 0 "[ ]" 1
30 1 5 ASN QD 1 8 GLY QA 5.500 . 5.500 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
31 1 5 ASN QD 1 8 GLY H 3.800 . 3.800 3.762 3.762 3.762 . 0 0 "[ ]" 1
32 1 5 ASN QD 1 9 GLY H 5.500 . 5.500 4.895 4.895 4.895 . 0 0 "[ ]" 1
33 1 5 ASN QD 1 75 ALA MB 5.500 . 5.500 1.894 1.894 1.894 0.006 1 0 "[ ]" 1
34 1 5 ASN HA 1 78 VAL MG2 3.800 . 3.800 1.954 1.954 1.954 . 0 0 "[ ]" 1
35 1 5 ASN HA 1 78 VAL MG1 3.800 . 3.800 2.987 2.987 2.987 . 0 0 "[ ]" 1
36 1 5 ASN HA 1 78 VAL HA 4.200 . 4.200 2.450 2.450 2.450 . 0 0 "[ ]" 1
37 1 5 ASN QB 1 78 VAL MG2 3.800 . 3.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
38 1 5 ASN H 1 78 VAL MG2 5.500 . 5.500 3.740 3.740 3.740 . 0 0 "[ ]" 1
39 1 5 ASN H 1 78 VAL MG1 5.500 . 5.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
40 1 5 ASN HA 1 79 ASN H 5.500 . 5.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
41 1 5 ASN QD 1 162 LEU H 5.500 . 5.500 4.602 4.602 4.602 . 0 0 "[ ]" 1
42 1 5 ASN QD 1 162 LEU MD2 4.200 . 4.200 3.183 3.183 3.183 . 0 0 "[ ]" 1
43 1 5 ASN QB 1 164 ILE MD 5.500 . 5.500 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
44 1 5 ASN H 1 164 ILE HB 3.300 . 3.300 2.411 2.411 2.411 . 0 0 "[ ]" 1
45 1 5 ASN H 1 164 ILE H 5.500 . 5.500 2.228 2.228 2.228 . 0 0 "[ ]" 1
46 1 6 ILE HA 1 6 ILE QG 3.800 . 3.800 2.260 2.260 2.260 . 0 0 "[ ]" 1
47 1 6 ILE HA 1 6 ILE MG 2.800 . 2.800 2.447 2.447 2.447 . 0 0 "[ ]" 1
48 1 6 ILE HA 1 6 ILE MD 3.800 . 3.800 3.708 3.708 3.708 . 0 0 "[ ]" 1
49 1 6 ILE H 1 6 ILE HB 2.800 . 2.800 2.455 2.455 2.455 . 0 0 "[ ]" 1
50 1 6 ILE H 1 6 ILE MD 4.200 . 4.200 3.052 3.052 3.052 . 0 0 "[ ]" 1
51 1 6 ILE H 1 6 ILE QG 3.800 . 3.800 3.102 3.102 3.102 . 0 0 "[ ]" 1
52 1 6 ILE H 1 6 ILE MG 5.500 . 5.500 3.766 3.766 3.766 . 0 0 "[ ]" 1
53 1 6 ILE MG 1 7 ASN QD 5.500 . 5.500 4.780 4.780 4.780 . 0 0 "[ ]" 1
54 1 6 ILE MG 1 7 ASN HA 3.800 . 3.800 3.806 3.806 3.806 0.006 1 0 "[ ]" 1
55 1 6 ILE MG 1 7 ASN QB 4.200 . 4.200 2.309 2.309 2.309 . 0 0 "[ ]" 1
56 1 6 ILE HA 1 8 GLY H 5.500 . 5.500 3.657 3.657 3.657 . 0 0 "[ ]" 1
57 1 6 ILE MG 1 26 GLU QG 3.300 . 3.300 2.815 2.815 2.815 . 0 0 "[ ]" 1
58 1 6 ILE HB 1 27 GLY QA 4.200 . 4.200 3.736 3.736 3.736 . 0 0 "[ ]" 1
59 1 6 ILE MG 1 27 GLY QA 3.800 . 3.800 3.583 3.583 3.583 . 0 0 "[ ]" 1
60 1 6 ILE H 1 27 GLY QA 5.500 . 5.500 3.792 3.792 3.792 . 0 0 "[ ]" 1
61 1 6 ILE MD 1 77 PRO QD 4.200 . 4.200 3.088 3.088 3.088 . 0 0 "[ ]" 1
62 1 6 ILE H 1 78 VAL MG2 5.500 . 5.500 3.560 3.560 3.560 . 0 0 "[ ]" 1
63 1 6 ILE MD 1 79 ASN QD 4.200 . 4.200 2.444 2.444 2.444 . 0 0 "[ ]" 1
64 1 7 ASN HA 1 7 ASN QB 3.300 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1
65 1 7 ASN QB 1 7 ASN QD 3.800 . 3.800 2.607 2.607 2.607 . 0 0 "[ ]" 1
66 1 7 ASN H 1 7 ASN QB 4.200 . 4.200 2.976 2.976 2.976 . 0 0 "[ ]" 1
67 1 7 ASN H 1 7 ASN QD 5.500 . 5.500 4.331 4.331 4.331 . 0 0 "[ ]" 1
68 1 7 ASN HA 1 8 GLY H 3.300 . 3.300 2.974 2.974 2.974 . 0 0 "[ ]" 1
69 1 7 ASN QB 1 8 GLY H 5.500 . 5.500 3.774 3.774 3.774 . 0 0 "[ ]" 1
70 1 7 ASN H 1 8 GLY H 3.300 . 3.300 2.720 2.720 2.720 . 0 0 "[ ]" 1
71 1 7 ASN QD 1 10 PHE HA 5.500 . 5.500 1.896 1.896 1.896 0.004 1 0 "[ ]" 1
72 1 7 ASN QD 1 12 SER H 3.800 . 3.800 1.901 1.901 1.901 . 0 0 "[ ]" 1
73 1 7 ASN QD 1 12 SER QB 5.500 . 5.500 2.919 2.919 2.919 . 0 0 "[ ]" 1
74 1 7 ASN QD 1 13 THR HG1 4.200 . 4.200 2.642 2.642 2.642 . 0 0 "[ ]" 1
75 1 7 ASN QD 1 13 THR MG 5.500 . 5.500 3.787 3.787 3.787 . 0 0 "[ ]" 1
76 1 7 ASN QD 1 13 THR H 5.500 . 5.500 1.894 1.894 1.894 0.006 1 0 "[ ]" 1
77 1 7 ASN QD 1 25 VAL QG 3.800 . 3.800 3.121 3.121 3.121 . 0 0 "[ ]" 1
78 1 7 ASN QD 1 26 GLU H 5.500 . 5.500 5.052 5.052 5.052 . 0 0 "[ ]" 1
79 1 7 ASN QD 1 28 TRP HD1 5.500 . 5.500 5.499 5.499 5.499 . 0 0 "[ ]" 1
80 1 8 GLY H 1 9 GLY H 3.300 . 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 1
81 1 8 GLY H 1 10 PHE H 5.500 . 5.500 4.199 4.199 4.199 . 0 0 "[ ]" 1
82 1 8 GLY QA 1 28 TRP HE1 2.800 . 2.800 2.832 2.832 2.832 0.032 1 0 "[ ]" 1
83 1 9 GLY QA 1 10 PHE H 5.500 . 5.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
84 1 9 GLY H 1 10 PHE H 2.800 . 2.800 2.231 2.231 2.231 . 0 0 "[ ]" 1
85 1 9 GLY QA 1 11 GLU H 5.500 . 5.500 3.323 3.323 3.323 . 0 0 "[ ]" 1
86 1 9 GLY QA 1 161 GLY H 3.300 . 3.300 1.934 1.934 1.934 . 0 0 "[ ]" 1
87 1 10 PHE HA 1 10 PHE QB 3.300 . 3.300 2.300 2.300 2.300 . 0 0 "[ ]" 1
88 1 10 PHE H 1 10 PHE HA 2.800 . 2.800 2.347 2.347 2.347 . 0 0 "[ ]" 1
89 1 10 PHE HA 1 11 GLU H 3.300 . 3.300 3.118 3.118 3.118 . 0 0 "[ ]" 1
90 1 10 PHE H 1 11 GLU H 3.300 . 3.300 2.632 2.632 2.632 . 0 0 "[ ]" 1
91 1 10 PHE HA 1 25 VAL QG 5.500 . 5.500 2.557 2.557 2.557 . 0 0 "[ ]" 1
92 1 10 PHE H 1 28 TRP HE1 5.500 . 5.500 5.503 5.503 5.503 0.003 1 0 "[ ]" 1
93 1 11 GLU HA 1 11 GLU QB 3.300 . 3.300 2.344 2.344 2.344 . 0 0 "[ ]" 1
94 1 11 GLU HA 1 11 GLU QG 5.500 . 5.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
95 1 11 GLU H 1 11 GLU QB 2.800 . 2.800 2.558 2.558 2.558 . 0 0 "[ ]" 1
96 1 11 GLU H 1 11 GLU QG 2.800 . 2.800 2.175 2.175 2.175 . 0 0 "[ ]" 1
97 1 11 GLU HA 1 12 SER H 5.500 . 5.500 3.580 3.580 3.580 . 0 0 "[ ]" 1
98 1 11 GLU H 1 12 SER H 2.800 . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
99 1 11 GLU HA 1 13 THR H 5.500 . 5.500 3.668 3.668 3.668 . 0 0 "[ ]" 1
100 1 11 GLU HA 1 44 VAL QG 5.500 . 5.500 5.464 5.464 5.464 . 0 0 "[ ]" 1
101 1 11 GLU HA 1 55 LYS QD 3.800 . 3.800 2.720 2.720 2.720 . 0 0 "[ ]" 1
102 1 11 GLU HA 1 55 LYS QE 5.500 . 5.500 4.852 4.852 4.852 . 0 0 "[ ]" 1
103 1 11 GLU HA 1 55 LYS QG 5.500 . 5.500 3.844 3.844 3.844 . 0 0 "[ ]" 1
104 1 12 SER H 1 12 SER QB 2.800 . 2.800 2.132 2.132 2.132 . 0 0 "[ ]" 1
105 1 12 SER QB 1 13 THR H 3.800 . 3.800 3.600 3.600 3.600 . 0 0 "[ ]" 1
106 1 12 SER H 1 13 THR H 2.800 . 2.800 2.702 2.702 2.702 . 0 0 "[ ]" 1
107 1 13 THR HA 1 13 THR MG 2.800 . 2.800 2.256 2.256 2.256 . 0 0 "[ ]" 1
108 1 13 THR H 1 13 THR HB 2.800 . 2.800 2.809 2.809 2.809 0.009 1 0 "[ ]" 1
109 1 13 THR HG1 1 13 THR MG 2.800 . 2.800 1.966 1.966 1.966 . 0 0 "[ ]" 1
110 1 13 THR H 1 13 THR MG 4.200 . 4.200 3.859 3.859 3.859 . 0 0 "[ ]" 1
111 1 13 THR HA 1 14 PRO QD 2.800 . 2.800 1.843 1.843 1.843 0.057 1 0 "[ ]" 1
112 1 13 THR HG1 1 14 PRO QD 5.500 . 5.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
113 1 13 THR MG 1 14 PRO QD 2.800 . 2.800 1.895 1.895 1.895 0.005 1 0 "[ ]" 1
114 1 13 THR MG 1 25 VAL QG 2.800 . 2.800 1.798 1.798 1.798 0.102 1 0 "[ ]" 1
115 1 13 THR HG1 1 26 GLU H 3.300 . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1
116 1 13 THR MG 1 26 GLU H 3.300 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 1
117 1 14 PRO HA 1 14 PRO QG 3.800 . 3.800 3.564 3.564 3.564 . 0 0 "[ ]" 1
118 1 14 PRO QB 1 14 PRO QD 5.500 . 5.500 2.966 2.966 2.966 . 0 0 "[ ]" 1
119 1 14 PRO QD 1 14 PRO QG 3.300 . 3.300 1.969 1.969 1.969 . 0 0 "[ ]" 1
120 1 14 PRO HA 1 15 ALA MB 3.800 . 3.800 3.939 3.939 3.939 0.139 1 0 "[ ]" 1
121 1 14 PRO HA 1 15 ALA H 2.800 . 2.800 2.177 2.177 2.177 . 0 0 "[ ]" 1
122 1 14 PRO QB 1 15 ALA H 4.200 . 4.200 3.309 3.309 3.309 . 0 0 "[ ]" 1
123 1 14 PRO HA 1 55 LYS QE 5.500 . 5.500 1.980 1.980 1.980 . 0 0 "[ ]" 1
124 1 15 ALA H 1 15 ALA MB 2.800 . 2.800 2.022 2.022 2.022 . 0 0 "[ ]" 1
125 1 15 ALA HA 1 16 GLY H 2.800 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
126 1 15 ALA MB 1 16 GLY QA 5.500 . 5.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
127 1 15 ALA MB 1 16 GLY H 2.800 . 2.800 2.535 2.535 2.535 . 0 0 "[ ]" 1
128 1 15 ALA H 1 16 GLY H 5.500 . 5.500 4.692 4.692 4.692 . 0 0 "[ ]" 1
129 1 15 ALA HA 1 44 VAL HB 3.300 . 3.300 2.017 2.017 2.017 . 0 0 "[ ]" 1
130 1 15 ALA HA 1 44 VAL H 4.200 . 4.200 4.211 4.211 4.211 0.011 1 0 "[ ]" 1
131 1 15 ALA MB 1 44 VAL H 5.500 . 5.500 4.939 4.939 4.939 . 0 0 "[ ]" 1
132 1 15 ALA MB 1 44 VAL HB 5.500 . 5.500 3.614 3.614 3.614 . 0 0 "[ ]" 1
133 1 15 ALA MB 1 46 GLU HA 5.500 . 5.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
134 1 15 ALA MB 1 46 GLU H 3.300 . 3.300 2.973 2.973 2.973 . 0 0 "[ ]" 1
135 1 15 ALA MB 1 46 GLU QG 3.800 . 3.800 2.447 2.447 2.447 . 0 0 "[ ]" 1
136 1 15 ALA MB 1 55 LYS QE 3.800 . 3.800 3.802 3.802 3.802 0.002 1 0 "[ ]" 1
137 1 15 ALA H 1 55 LYS QE 4.200 . 4.200 2.615 2.615 2.615 . 0 0 "[ ]" 1
138 1 16 GLY QA 1 17 VAL H 2.800 . 2.800 2.168 2.168 2.168 . 0 0 "[ ]" 1
139 1 16 GLY H 1 17 VAL H 3.800 . 3.800 3.874 3.874 3.874 0.074 1 0 "[ ]" 1
140 1 16 GLY H 1 43 GLU QG 3.300 . 3.300 3.172 3.172 3.172 . 0 0 "[ ]" 1
141 1 16 GLY H 1 44 VAL HB 2.800 . 2.800 2.795 2.795 2.795 . 0 0 "[ ]" 1
142 1 16 GLY H 1 44 VAL H 3.300 . 3.300 3.303 3.303 3.303 0.003 1 0 "[ ]" 1
143 1 17 VAL HA 1 18 VAL H 2.800 . 2.800 2.239 2.239 2.239 . 0 0 "[ ]" 1
144 1 17 VAL HA 1 18 VAL MG2 3.300 . 3.300 3.354 3.354 3.354 0.054 1 0 "[ ]" 1
145 1 17 VAL MG1 1 18 VAL H 2.800 . 2.800 2.809 2.809 2.809 0.009 1 0 "[ ]" 1
146 1 17 VAL MG2 1 18 VAL H 2.800 . 2.800 2.674 2.674 2.674 . 0 0 "[ ]" 1
147 1 17 VAL MG1 1 19 THR H 4.200 . 4.200 4.241 4.241 4.241 0.041 1 0 "[ ]" 1
148 1 17 VAL HA 1 43 GLU HA 2.800 . 2.800 2.176 2.176 2.176 . 0 0 "[ ]" 1
149 1 17 VAL HA 1 43 GLU QB 4.200 . 4.200 2.262 2.262 2.262 . 0 0 "[ ]" 1
150 1 17 VAL HA 1 43 GLU H 5.500 . 5.500 4.808 4.808 4.808 . 0 0 "[ ]" 1
151 1 17 VAL MG2 1 43 GLU HA 3.800 . 3.800 3.138 3.138 3.138 . 0 0 "[ ]" 1
152 1 17 VAL HA 1 44 VAL H 4.200 . 4.200 3.070 3.070 3.070 . 0 0 "[ ]" 1
153 1 17 VAL MG2 1 44 VAL H 5.500 . 5.500 4.439 4.439 4.439 . 0 0 "[ ]" 1
154 1 18 VAL H 1 18 VAL HB 2.800 . 2.800 2.531 2.531 2.531 . 0 0 "[ ]" 1
155 1 18 VAL H 1 18 VAL MG2 2.800 . 2.800 2.116 2.116 2.116 . 0 0 "[ ]" 1
156 1 18 VAL H 1 18 VAL MG1 3.800 . 3.800 3.787 3.787 3.787 . 0 0 "[ ]" 1
157 1 18 VAL HA 1 19 THR MG 4.200 . 4.200 3.298 3.298 3.298 . 0 0 "[ ]" 1
158 1 18 VAL HA 1 19 THR H 2.800 . 2.800 2.238 2.238 2.238 . 0 0 "[ ]" 1
159 1 18 VAL MG2 1 19 THR H 3.800 . 3.800 3.921 3.921 3.921 0.121 1 0 "[ ]" 1
160 1 18 VAL MG1 1 19 THR H 3.300 . 3.300 2.184 2.184 2.184 . 0 0 "[ ]" 1
161 1 18 VAL H 1 19 THR H 5.500 . 5.500 4.603 4.603 4.603 . 0 0 "[ ]" 1
162 1 18 VAL HA 1 20 ASP H 3.800 . 3.800 3.806 3.806 3.806 0.006 1 0 "[ ]" 1
163 1 18 VAL MG1 1 20 ASP H 2.800 . 2.800 2.105 2.105 2.105 . 0 0 "[ ]" 1
164 1 18 VAL MG2 1 42 PHE HB3 3.300 . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 1
165 1 18 VAL MG2 1 42 PHE HB2 3.800 . 3.800 3.830 3.830 3.830 0.030 1 0 "[ ]" 1
166 1 18 VAL MG1 1 42 PHE HB3 4.200 . 4.200 3.634 3.634 3.634 . 0 0 "[ ]" 1
167 1 18 VAL MG1 1 42 PHE HB2 5.500 . 5.500 3.877 3.877 3.877 . 0 0 "[ ]" 1
168 1 18 VAL H 1 42 PHE HB2 4.200 . 4.200 4.234 4.234 4.234 0.034 1 0 "[ ]" 1
169 1 18 VAL MG2 1 43 GLU HA 3.300 . 3.300 2.220 2.220 2.220 . 0 0 "[ ]" 1
170 1 18 VAL MG2 1 43 GLU H 5.500 . 5.500 3.887 3.887 3.887 . 0 0 "[ ]" 1
171 1 18 VAL H 1 43 GLU HA 3.800 . 3.800 2.103 2.103 2.103 . 0 0 "[ ]" 1
172 1 18 VAL H 1 43 GLU QB 3.800 . 3.800 3.134 3.134 3.134 . 0 0 "[ ]" 1
173 1 18 VAL MG2 1 44 VAL H 3.300 . 3.300 2.947 2.947 2.947 . 0 0 "[ ]" 1
174 1 18 VAL H 1 44 VAL H 3.800 . 3.800 3.843 3.843 3.843 0.043 1 0 "[ ]" 1
175 1 19 THR H 1 19 THR HB 4.200 . 4.200 3.772 3.772 3.772 . 0 0 "[ ]" 1
176 1 19 THR H 1 19 THR MG 3.300 . 3.300 2.369 2.369 2.369 . 0 0 "[ ]" 1
177 1 19 THR MG 1 20 ASP H 3.800 . 3.800 3.607 3.607 3.607 . 0 0 "[ ]" 1
178 1 19 THR H 1 20 ASP H 2.800 . 2.800 1.924 1.924 1.924 . 0 0 "[ ]" 1
179 1 20 ASP H 1 20 ASP QB 2.800 . 2.800 2.611 2.611 2.611 . 0 0 "[ ]" 1
180 1 20 ASP HA 1 21 LEU H 2.800 . 2.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
181 1 20 ASP HA 1 21 LEU MD2 5.500 . 5.500 4.851 4.851 4.851 . 0 0 "[ ]" 1
182 1 20 ASP QB 1 21 LEU H 5.500 . 5.500 3.775 3.775 3.775 . 0 0 "[ ]" 1
183 1 20 ASP H 1 21 LEU H 4.200 . 4.200 3.721 3.721 3.721 . 0 0 "[ ]" 1
184 1 20 ASP QB 1 24 GLY QA 5.500 . 5.500 3.985 3.985 3.985 . 0 0 "[ ]" 1
185 1 20 ASP QB 1 24 GLY H 5.500 . 5.500 4.146 4.146 4.146 . 0 0 "[ ]" 1
186 1 20 ASP H 1 24 GLY QA 4.200 . 4.200 3.568 3.568 3.568 . 0 0 "[ ]" 1
187 1 21 LEU HA 1 21 LEU QB 3.300 . 3.300 2.173 2.173 2.173 . 0 0 "[ ]" 1
188 1 21 LEU HA 1 21 LEU MD1 3.800 . 3.800 3.579 3.579 3.579 . 0 0 "[ ]" 1
189 1 21 LEU QB 1 21 LEU MD2 2.800 . 2.800 2.047 2.047 2.047 . 0 0 "[ ]" 1
190 1 21 LEU H 1 21 LEU MD2 3.300 . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1
191 1 21 LEU H 1 21 LEU MD1 2.800 . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
192 1 21 LEU HA 1 22 ALA H 3.800 . 3.800 3.529 3.529 3.529 . 0 0 "[ ]" 1
193 1 21 LEU QB 1 22 ALA H 3.300 . 3.300 3.300 3.300 3.300 0.000 1 0 "[ ]" 1
194 1 21 LEU H 1 22 ALA H 2.800 . 2.800 2.839 2.839 2.839 0.039 1 0 "[ ]" 1
195 1 21 LEU HA 1 30 LEU QB 5.500 . 5.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
196 1 21 LEU HA 1 30 LEU MD2 5.500 . 5.500 4.469 4.469 4.469 . 0 0 "[ ]" 1
197 1 21 LEU HA 1 30 LEU MD1 3.300 . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1
198 1 21 LEU QB 1 30 LEU MD1 5.500 . 5.500 2.139 2.139 2.139 . 0 0 "[ ]" 1
199 1 21 LEU QB 1 30 LEU H 3.800 . 3.800 1.944 1.944 1.944 . 0 0 "[ ]" 1
200 1 21 LEU MD2 1 30 LEU QB 3.300 . 3.300 1.857 1.857 1.857 0.043 1 0 "[ ]" 1
201 1 21 LEU MD2 1 30 LEU MD1 2.800 . 2.800 2.737 2.737 2.737 . 0 0 "[ ]" 1
202 1 21 LEU MD2 1 30 LEU H 3.800 . 3.800 3.880 3.880 3.880 0.080 1 0 "[ ]" 1
203 1 21 LEU MD1 1 30 LEU H 5.500 . 5.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
204 1 21 LEU MD1 1 31 ASN H 5.500 . 5.500 4.006 4.006 4.006 . 0 0 "[ ]" 1
205 1 21 LEU MD2 1 32 VAL MG2 3.300 . 3.300 2.071 2.071 2.071 . 0 0 "[ ]" 1
206 1 21 LEU MD1 1 32 VAL H 3.300 . 3.300 3.377 3.377 3.377 0.077 1 0 "[ ]" 1
207 1 21 LEU MD2 1 42 PHE HB3 5.500 . 5.500 4.504 4.504 4.504 . 0 0 "[ ]" 1
208 1 21 LEU MD2 1 42 PHE HB2 5.500 . 5.500 4.204 4.204 4.204 . 0 0 "[ ]" 1
209 1 22 ALA MB 1 23 GLU QG 2.800 . 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 1
210 1 22 ALA MB 1 23 GLU H 2.800 . 2.800 2.543 2.543 2.543 . 0 0 "[ ]" 1
211 1 22 ALA MB 1 24 GLY H 5.500 . 5.500 4.463 4.463 4.463 . 0 0 "[ ]" 1
212 1 22 ALA HA 1 29 ASP HA 3.800 . 3.800 3.811 3.811 3.811 0.011 1 0 "[ ]" 1
213 1 22 ALA HA 1 30 LEU H 3.300 . 3.300 3.349 3.349 3.349 0.049 1 0 "[ ]" 1
214 1 23 GLU H 1 23 GLU QB 3.800 . 3.800 3.060 3.060 3.060 . 0 0 "[ ]" 1
215 1 23 GLU H 1 23 GLU QG 2.800 . 2.800 1.986 1.986 1.986 . 0 0 "[ ]" 1
216 1 23 GLU HA 1 24 GLY H 5.500 . 5.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
217 1 23 GLU QG 1 24 GLY H 3.800 . 3.800 3.698 3.698 3.698 . 0 0 "[ ]" 1
218 1 23 GLU H 1 24 GLY QA 5.500 . 5.500 4.043 4.043 4.043 . 0 0 "[ ]" 1
219 1 23 GLU H 1 24 GLY H 2.800 . 2.800 2.733 2.733 2.733 . 0 0 "[ ]" 1
220 1 23 GLU HA 1 25 VAL H 5.500 . 5.500 5.161 5.161 5.161 . 0 0 "[ ]" 1
221 1 23 GLU H 1 25 VAL H 5.500 . 5.500 5.500 5.500 5.500 . 0 0 "[ ]" 1
222 1 24 GLY QA 1 25 VAL H 3.800 . 3.800 2.386 2.386 2.386 . 0 0 "[ ]" 1
223 1 24 GLY H 1 25 VAL H 2.800 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 1
224 1 25 VAL H 1 25 VAL HB 2.800 . 2.800 2.520 2.520 2.520 . 0 0 "[ ]" 1
225 1 25 VAL HA 1 26 GLU H 2.800 . 2.800 2.196 2.196 2.196 . 0 0 "[ ]" 1
226 1 25 VAL QG 1 26 GLU H 3.300 . 3.300 2.580 2.580 2.580 . 0 0 "[ ]" 1
227 1 25 VAL HB 1 28 TRP H 4.200 . 4.200 2.652 2.652 2.652 . 0 0 "[ ]" 1
228 1 25 VAL QG 1 28 TRP H 5.500 . 5.500 1.895 1.895 1.895 0.005 1 0 "[ ]" 1
229 1 26 GLU HA 1 26 GLU QB 3.800 . 3.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
230 1 26 GLU HA 1 26 GLU QG 3.300 . 3.300 2.524 2.524 2.524 . 0 0 "[ ]" 1
231 1 26 GLU H 1 26 GLU QB 3.300 . 3.300 2.227 2.227 2.227 . 0 0 "[ ]" 1
232 1 26 GLU HA 1 27 GLY QA 5.500 . 5.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
233 1 26 GLU QG 1 27 GLY H 3.300 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 1
234 1 26 GLU HA 1 28 TRP H 5.500 . 5.500 4.042 4.042 4.042 . 0 0 "[ ]" 1
235 1 27 GLY QA 1 28 TRP H 5.500 . 5.500 2.919 2.919 2.919 . 0 0 "[ ]" 1
236 1 27 GLY H 1 28 TRP H 2.800 . 2.800 2.414 2.414 2.414 . 0 0 "[ ]" 1
237 1 28 TRP HA 1 29 ASP H 2.800 . 2.800 2.172 2.172 2.172 . 0 0 "[ ]" 1
238 1 28 TRP QB 1 29 ASP H 3.300 . 3.300 3.380 3.380 3.380 0.080 1 0 "[ ]" 1
239 1 28 TRP H 1 29 ASP H 5.500 . 5.500 4.241 4.241 4.241 . 0 0 "[ ]" 1
240 1 28 TRP QB 1 30 LEU MD2 3.800 . 3.800 2.652 2.652 2.652 . 0 0 "[ ]" 1
241 1 28 TRP HZ2 1 57 LEU MD2 5.500 . 5.500 5.501 5.501 5.501 0.001 1 0 "[ ]" 1
242 1 28 TRP HA 1 75 ALA HA 3.800 . 3.800 2.108 2.108 2.108 . 0 0 "[ ]" 1
243 1 28 TRP HA 1 75 ALA MB 5.500 . 5.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
244 1 28 TRP HA 1 76 PHE H 3.300 . 3.300 3.253 3.253 3.253 . 0 0 "[ ]" 1
245 1 28 TRP HZ2 1 145 ILE MG 3.300 . 3.300 3.392 3.392 3.392 0.092 1 0 "[ ]" 1
246 1 28 TRP HZ2 1 159 ILE MG 3.300 . 3.300 2.745 2.745 2.745 . 0 0 "[ ]" 1
247 1 28 TRP HZ2 1 162 LEU H 4.200 . 4.200 4.281 4.281 4.281 0.081 1 0 "[ ]" 1
248 1 29 ASP HA 1 29 ASP QB 3.800 . 3.800 2.482 2.482 2.482 . 0 0 "[ ]" 1
249 1 29 ASP H 1 29 ASP QB 3.300 . 3.300 2.416 2.416 2.416 . 0 0 "[ ]" 1
250 1 29 ASP HA 1 30 LEU MD1 5.500 . 5.500 4.738 4.738 4.738 . 0 0 "[ ]" 1
251 1 29 ASP HA 1 30 LEU H 2.800 . 2.800 2.318 2.318 2.318 . 0 0 "[ ]" 1
252 1 29 ASP QB 1 30 LEU H 5.500 . 5.500 2.994 2.994 2.994 . 0 0 "[ ]" 1
253 1 29 ASP H 1 30 LEU MD2 5.500 . 5.500 3.356 3.356 3.356 . 0 0 "[ ]" 1
254 1 29 ASP H 1 30 LEU H 5.500 . 5.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
255 1 29 ASP H 1 73 ALA HA 5.500 . 5.500 4.683 4.683 4.683 . 0 0 "[ ]" 1
256 1 29 ASP QB 1 74 THR H 5.500 . 5.500 3.931 3.931 3.931 . 0 0 "[ ]" 1
257 1 29 ASP H 1 74 THR HB 3.800 . 3.800 3.835 3.835 3.835 0.035 1 0 "[ ]" 1
258 1 29 ASP H 1 74 THR MG 5.500 . 5.500 4.384 4.384 4.384 . 0 0 "[ ]" 1
259 1 29 ASP H 1 74 THR H 3.800 . 3.800 3.534 3.534 3.534 . 0 0 "[ ]" 1
260 1 29 ASP H 1 75 ALA HA 5.500 . 5.500 3.154 3.154 3.154 . 0 0 "[ ]" 1
261 1 29 ASP H 1 75 ALA MB 5.500 . 5.500 4.582 4.582 4.582 . 0 0 "[ ]" 1
262 1 29 ASP H 1 76 PHE H 4.200 . 4.200 4.243 4.243 4.243 0.043 1 0 "[ ]" 1
263 1 30 LEU H 1 30 LEU QB 3.300 . 3.300 2.872 2.872 2.872 . 0 0 "[ ]" 1
264 1 30 LEU H 1 30 LEU MD2 3.800 . 3.800 2.923 2.923 2.923 . 0 0 "[ ]" 1
265 1 30 LEU H 1 30 LEU MD1 3.800 . 3.800 3.817 3.817 3.817 0.017 1 0 "[ ]" 1
266 1 30 LEU QB 1 31 ASN H 3.300 . 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 1
267 1 30 LEU MD2 1 31 ASN H 3.800 . 3.800 3.896 3.896 3.896 0.096 1 0 "[ ]" 1
268 1 30 LEU HA 1 73 ALA HA 3.300 . 3.300 2.034 2.034 2.034 . 0 0 "[ ]" 1
269 1 30 LEU MD2 1 73 ALA HA 2.800 . 2.800 1.860 1.860 1.860 0.040 1 0 "[ ]" 1
270 1 30 LEU MD2 1 73 ALA MB 2.800 . 2.800 1.881 1.881 1.881 0.019 1 0 "[ ]" 1
271 1 30 LEU MD1 1 73 ALA HA 5.500 . 5.500 4.235 4.235 4.235 . 0 0 "[ ]" 1
272 1 30 LEU MD2 1 74 THR H 3.300 . 3.300 3.160 3.160 3.160 . 0 0 "[ ]" 1
273 1 31 ASN QB 1 31 ASN QD 3.300 . 3.300 2.326 2.326 2.326 . 0 0 "[ ]" 1
274 1 31 ASN H 1 31 ASN QB 2.800 . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
275 1 31 ASN H 1 31 ASN QD 5.500 . 5.500 4.706 4.706 4.706 . 0 0 "[ ]" 1
276 1 31 ASN QB 1 32 VAL H 3.300 . 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 1
277 1 31 ASN H 1 32 VAL MG2 5.500 . 5.500 4.313 4.313 4.313 . 0 0 "[ ]" 1
278 1 31 ASN H 1 32 VAL H 5.500 . 5.500 4.095 4.095 4.095 . 0 0 "[ ]" 1
279 1 31 ASN QB 1 72 GLU H 5.500 . 5.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
280 1 31 ASN H 1 72 GLU QB 4.200 . 4.200 3.427 3.427 3.427 . 0 0 "[ ]" 1
281 1 31 ASN H 1 72 GLU H 3.300 . 3.300 2.915 2.915 2.915 . 0 0 "[ ]" 1
282 1 31 ASN H 1 73 ALA HA 5.500 . 5.500 3.653 3.653 3.653 . 0 0 "[ ]" 1
283 1 31 ASN H 1 74 THR H 5.500 . 5.500 4.780 4.780 4.780 . 0 0 "[ ]" 1
284 1 32 VAL HA 1 32 VAL MG1 3.300 . 3.300 2.152 2.152 2.152 . 0 0 "[ ]" 1
285 1 32 VAL HA 1 32 VAL MG2 3.300 . 3.300 3.082 3.082 3.082 . 0 0 "[ ]" 1
286 1 32 VAL H 1 32 VAL MG1 3.800 . 3.800 3.380 3.380 3.380 . 0 0 "[ ]" 1
287 1 32 VAL H 1 32 VAL MG2 2.800 . 2.800 1.850 1.850 1.850 0.050 1 0 "[ ]" 1
288 1 32 VAL HA 1 33 GLY H 2.800 . 2.800 2.226 2.226 2.226 . 0 0 "[ ]" 1
289 1 32 VAL HA 1 33 GLY QA 5.500 . 5.500 3.949 3.949 3.949 . 0 0 "[ ]" 1
290 1 32 VAL MG1 1 33 GLY H 3.300 . 3.300 3.277 3.277 3.277 . 0 0 "[ ]" 1
291 1 32 VAL MG2 1 33 GLY H 5.500 . 5.500 4.295 4.295 4.295 . 0 0 "[ ]" 1
292 1 32 VAL H 1 33 GLY H 5.500 . 5.500 4.516 4.516 4.516 . 0 0 "[ ]" 1
293 1 32 VAL MG1 1 36 VAL MG1 3.300 . 3.300 2.459 2.459 2.459 . 0 0 "[ ]" 1
294 1 32 VAL MG1 1 36 VAL H 4.200 . 4.200 4.248 4.248 4.248 0.048 1 0 "[ ]" 1
295 1 32 VAL MG1 1 40 PRO QD 3.800 . 3.800 2.870 2.870 2.870 . 0 0 "[ ]" 1
296 1 32 VAL MG2 1 40 PRO QD 3.800 . 3.800 3.802 3.802 3.802 0.002 1 0 "[ ]" 1
297 1 32 VAL HA 1 72 GLU H 5.500 . 5.500 3.585 3.585 3.585 . 0 0 "[ ]" 1
298 1 32 VAL MG2 1 72 GLU H 5.500 . 5.500 4.873 4.873 4.873 . 0 0 "[ ]" 1
299 1 33 GLY QA 1 34 SER H 5.500 . 5.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
300 1 33 GLY H 1 34 SER H 5.500 . 5.500 4.509 4.509 4.509 . 0 0 "[ ]" 1
301 1 33 GLY QA 1 36 VAL MG2 5.500 . 5.500 4.628 4.628 4.628 . 0 0 "[ ]" 1
302 1 33 GLY QA 1 36 VAL H 5.500 . 5.500 3.973 3.973 3.973 . 0 0 "[ ]" 1
303 1 33 GLY H 1 36 VAL MG1 5.500 . 5.500 4.807 4.807 4.807 . 0 0 "[ ]" 1
304 1 33 GLY H 1 36 VAL MG2 3.300 . 3.300 3.071 3.071 3.071 . 0 0 "[ ]" 1
305 1 33 GLY H 1 70 ASP HA 3.300 . 3.300 3.328 3.328 3.328 0.028 1 0 "[ ]" 1
306 1 33 GLY H 1 70 ASP QB 5.500 . 5.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
307 1 34 SER HA 1 35 SER H 5.500 . 5.500 3.417 3.417 3.417 . 0 0 "[ ]" 1
308 1 34 SER HA 1 36 VAL H 5.500 . 5.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
309 1 35 SER HA 1 36 VAL H 3.800 . 3.800 3.553 3.553 3.553 . 0 0 "[ ]" 1
310 1 35 SER H 1 36 VAL H 3.300 . 3.300 2.679 2.679 2.679 . 0 0 "[ ]" 1
311 1 35 SER QB 1 66 ASN H 3.800 . 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 1
312 1 36 VAL HA 1 36 VAL MG1 2.800 . 2.800 2.621 2.621 2.621 . 0 0 "[ ]" 1
313 1 36 VAL H 1 36 VAL HA 2.800 . 2.800 2.852 2.852 2.852 0.052 1 0 "[ ]" 1
314 1 36 VAL H 1 36 VAL HB 2.800 . 2.800 2.121 2.121 2.121 . 0 0 "[ ]" 1
315 1 36 VAL H 1 36 VAL MG1 3.300 . 3.300 3.559 3.559 3.559 0.259 1 0 "[ ]" 1
316 1 36 VAL H 1 36 VAL MG2 2.800 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 1
317 1 36 VAL HA 1 37 THR HA 5.500 . 5.500 4.535 4.535 4.535 . 0 0 "[ ]" 1
318 1 36 VAL HA 1 37 THR MG 5.500 . 5.500 5.539 5.539 5.539 0.039 1 0 "[ ]" 1
319 1 36 VAL HA 1 37 THR H 2.800 . 2.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
320 1 36 VAL MG1 1 37 THR H 3.800 . 3.800 3.370 3.370 3.370 . 0 0 "[ ]" 1
321 1 36 VAL MG1 1 37 THR HA 4.200 . 4.200 3.903 3.903 3.903 . 0 0 "[ ]" 1
322 1 36 VAL HA 1 38 ASN H 3.300 . 3.300 3.335 3.335 3.335 0.035 1 0 "[ ]" 1
323 1 36 VAL MG1 1 38 ASN HA 5.500 . 5.500 3.996 3.996 3.996 . 0 0 "[ ]" 1
324 1 36 VAL MG1 1 39 PRO HA 3.300 . 3.300 2.925 2.925 2.925 . 0 0 "[ ]" 1
325 1 36 VAL MG1 1 40 PRO QD 4.200 . 4.200 1.895 1.895 1.895 0.005 1 0 "[ ]" 1
326 1 36 VAL HA 1 65 GLY QA 5.500 . 5.500 3.691 3.691 3.691 . 0 0 "[ ]" 1
327 1 36 VAL HA 1 65 GLY H 5.500 . 5.500 4.707 4.707 4.707 . 0 0 "[ ]" 1
328 1 36 VAL MG1 1 71 ILE QG 5.500 . 5.500 3.313 3.313 3.313 . 0 0 "[ ]" 1
329 1 37 THR HA 1 37 THR MG 2.800 . 2.800 2.316 2.316 2.316 . 0 0 "[ ]" 1
330 1 37 THR H 1 37 THR HB 3.300 . 3.300 2.466 2.466 2.466 . 0 0 "[ ]" 1
331 1 37 THR HA 1 38 ASN H 3.300 . 3.300 3.448 3.448 3.448 0.148 1 0 "[ ]" 1
332 1 37 THR HB 1 38 ASN H 2.800 . 2.800 2.854 2.854 2.854 0.054 1 0 "[ ]" 1
333 1 37 THR MG 1 38 ASN H 4.200 . 4.200 3.700 3.700 3.700 . 0 0 "[ ]" 1
334 1 37 THR H 1 38 ASN H 2.800 . 2.800 2.396 2.396 2.396 . 0 0 "[ ]" 1
335 1 38 ASN HA 1 38 ASN QB 3.300 . 3.300 2.546 2.546 2.546 . 0 0 "[ ]" 1
336 1 38 ASN HA 1 38 ASN QD 5.500 . 5.500 3.817 3.817 3.817 . 0 0 "[ ]" 1
337 1 38 ASN QB 1 38 ASN QD 4.200 . 4.200 2.291 2.291 2.291 . 0 0 "[ ]" 1
338 1 38 ASN H 1 38 ASN QB 3.300 . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 1
339 1 38 ASN HA 1 39 PRO QD 2.800 . 2.800 1.855 1.855 1.855 0.045 1 0 "[ ]" 1
340 1 38 ASN QD 1 62 ASN QB 5.500 . 5.500 3.874 3.874 3.874 . 0 0 "[ ]" 1
341 1 38 ASN QB 1 63 GLY QA 5.500 . 5.500 1.891 1.891 1.891 0.009 1 0 "[ ]" 1
342 1 38 ASN QB 1 63 GLY H 5.500 . 5.500 4.076 4.076 4.076 . 0 0 "[ ]" 1
343 1 39 PRO HA 1 39 PRO QG 3.800 . 3.800 3.560 3.560 3.560 . 0 0 "[ ]" 1
344 1 39 PRO HA 1 40 PRO QD 2.800 . 2.800 1.872 1.872 1.872 0.028 1 0 "[ ]" 1
345 1 39 PRO HA 1 40 PRO QG 5.500 . 5.500 3.806 3.806 3.806 . 0 0 "[ ]" 1
346 1 39 PRO QB 1 40 PRO QD 5.500 . 5.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
347 1 40 PRO HA 1 41 VAL MG2 3.800 . 3.800 3.637 3.637 3.637 . 0 0 "[ ]" 1
348 1 40 PRO HA 1 41 VAL H 2.800 . 2.800 2.472 2.472 2.472 . 0 0 "[ ]" 1
349 1 40 PRO QB 1 41 VAL H 4.200 . 4.200 2.645 2.645 2.645 . 0 0 "[ ]" 1
350 1 40 PRO QB 1 59 VAL MG1 5.500 . 5.500 2.736 2.736 2.736 . 0 0 "[ ]" 1
351 1 40 PRO HA 1 61 VAL HA 5.500 . 5.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
352 1 40 PRO QB 1 61 VAL HA 5.500 . 5.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
353 1 40 PRO HA 1 62 ASN QD 4.200 . 4.200 3.343 3.343 3.343 . 0 0 "[ ]" 1
354 1 40 PRO HA 1 62 ASN H 3.800 . 3.800 3.827 3.827 3.827 0.027 1 0 "[ ]" 1
355 1 40 PRO QB 1 71 ILE MD 4.200 . 4.200 2.484 2.484 2.484 . 0 0 "[ ]" 1
356 1 40 PRO QD 1 71 ILE MG 5.500 . 5.500 4.922 4.922 4.922 . 0 0 "[ ]" 1
357 1 41 VAL H 1 41 VAL HB 2.800 . 2.800 2.443 2.443 2.443 . 0 0 "[ ]" 1
358 1 41 VAL H 1 41 VAL MG2 2.800 . 2.800 2.824 2.824 2.824 0.024 1 0 "[ ]" 1
359 1 41 VAL HA 1 42 PHE HA 5.500 . 5.500 4.450 4.450 4.450 . 0 0 "[ ]" 1
360 1 41 VAL HA 1 42 PHE QD 5.500 . 5.500 4.553 4.553 4.553 . 0 0 "[ ]" 1
361 1 41 VAL HA 1 42 PHE H 2.800 . 2.800 2.198 2.198 2.198 . 0 0 "[ ]" 1
362 1 41 VAL MG2 1 42 PHE HA 5.500 . 5.500 5.521 5.521 5.521 0.021 1 0 "[ ]" 1
363 1 41 VAL MG1 1 42 PHE HA 5.500 . 5.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
364 1 41 VAL MG1 1 42 PHE H 2.800 . 2.800 2.819 2.819 2.819 0.019 1 0 "[ ]" 1
365 1 41 VAL H 1 42 PHE H 5.500 . 5.500 4.408 4.408 4.408 . 0 0 "[ ]" 1
366 1 41 VAL MG1 1 43 GLU H 3.300 . 3.300 3.389 3.389 3.389 0.089 1 0 "[ ]" 1
367 1 41 VAL H 1 59 VAL MG1 5.500 . 5.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
368 1 41 VAL MG2 1 60 THR H 3.800 . 3.800 3.819 3.819 3.819 0.019 1 0 "[ ]" 1
369 1 41 VAL H 1 60 THR HB 3.300 . 3.300 2.761 2.761 2.761 . 0 0 "[ ]" 1
370 1 41 VAL H 1 60 THR H 3.300 . 3.300 2.435 2.435 2.435 . 0 0 "[ ]" 1
371 1 41 VAL MG2 1 62 ASN QD 3.300 . 3.300 3.232 3.232 3.232 . 0 0 "[ ]" 1
372 1 41 VAL H 1 62 ASN QD 5.500 . 5.500 3.850 3.850 3.850 . 0 0 "[ ]" 1
373 1 42 PHE HA 1 42 PHE QD 3.800 . 3.800 2.206 2.206 2.206 . 0 0 "[ ]" 1
374 1 42 PHE H 1 42 PHE HB3 3.300 . 3.300 3.612 3.612 3.612 0.312 1 0 "[ ]" 1
375 1 42 PHE H 1 42 PHE HB2 2.800 . 2.800 2.387 2.387 2.387 . 0 0 "[ ]" 1
376 1 42 PHE HA 1 43 GLU H 2.800 . 2.800 2.225 2.225 2.225 . 0 0 "[ ]" 1
377 1 42 PHE HB3 1 43 GLU H 3.800 . 3.800 3.697 3.697 3.697 . 0 0 "[ ]" 1
378 1 42 PHE HB2 1 43 GLU H 5.500 . 5.500 4.446 4.446 4.446 . 0 0 "[ ]" 1
379 1 42 PHE H 1 43 GLU H 5.500 . 5.500 4.232 4.232 4.232 . 0 0 "[ ]" 1
380 1 42 PHE HA 1 57 LEU MD1 5.500 . 5.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
381 1 42 PHE HB3 1 57 LEU MD1 3.300 . 3.300 2.830 2.830 2.830 . 0 0 "[ ]" 1
382 1 42 PHE HB3 1 57 LEU MD2 5.500 . 5.500 4.801 4.801 4.801 . 0 0 "[ ]" 1
383 1 42 PHE HB2 1 57 LEU MD1 4.200 . 4.200 4.246 4.246 4.246 0.046 1 0 "[ ]" 1
384 1 42 PHE HA 1 58 ALA MB 5.500 . 5.500 5.519 5.519 5.519 0.019 1 0 "[ ]" 1
385 1 42 PHE HA 1 59 VAL HA 3.800 . 3.800 2.997 2.997 2.997 . 0 0 "[ ]" 1
386 1 42 PHE HA 1 59 VAL MG1 5.500 . 5.500 3.604 3.604 3.604 . 0 0 "[ ]" 1
387 1 42 PHE HA 1 59 VAL MG2 5.500 . 5.500 2.186 2.186 2.186 . 0 0 "[ ]" 1
388 1 42 PHE QD 1 59 VAL MG1 3.800 . 3.800 3.448 3.448 3.448 . 0 0 "[ ]" 1
389 1 42 PHE QE 1 59 VAL MG1 5.500 . 5.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
390 1 42 PHE HA 1 60 THR H 5.500 . 5.500 4.305 4.305 4.305 . 0 0 "[ ]" 1
391 1 43 GLU H 1 43 GLU QB 5.500 . 5.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
392 1 43 GLU H 1 43 GLU QG 5.500 . 5.500 4.261 4.261 4.261 . 0 0 "[ ]" 1
393 1 43 GLU HA 1 44 VAL H 2.800 . 2.800 2.266 2.266 2.266 . 0 0 "[ ]" 1
394 1 43 GLU QB 1 44 VAL H 5.500 . 5.500 3.572 3.572 3.572 . 0 0 "[ ]" 1
395 1 43 GLU QG 1 44 VAL H 3.800 . 3.800 1.992 1.992 1.992 . 0 0 "[ ]" 1
396 1 43 GLU H 1 44 VAL H 5.500 . 5.500 4.351 4.351 4.351 . 0 0 "[ ]" 1
397 1 43 GLU QG 1 45 LEU H 5.500 . 5.500 5.286 5.286 5.286 . 0 0 "[ ]" 1
398 1 43 GLU H 1 57 LEU MD1 2.800 . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 1
399 1 43 GLU H 1 59 VAL MG2 5.500 . 5.500 3.272 3.272 3.272 . 0 0 "[ ]" 1
400 1 43 GLU H 1 60 THR H 5.500 . 5.500 5.082 5.082 5.082 . 0 0 "[ ]" 1
401 1 44 VAL H 1 44 VAL HB 2.800 . 2.800 2.556 2.556 2.556 . 0 0 "[ ]" 1
402 1 44 VAL H 1 45 LEU H 5.500 . 5.500 4.618 4.618 4.618 . 0 0 "[ ]" 1
403 1 44 VAL QG 1 55 LYS HA 5.500 . 5.500 3.546 3.546 3.546 . 0 0 "[ ]" 1
404 1 44 VAL H 1 57 LEU MD1 5.500 . 5.500 4.814 4.814 4.814 . 0 0 "[ ]" 1
405 1 44 VAL QG 1 58 ALA H 3.800 . 3.800 3.820 3.820 3.820 0.020 1 0 "[ ]" 1
406 1 45 LEU H 1 45 LEU QB 3.800 . 3.800 2.566 2.566 2.566 . 0 0 "[ ]" 1
407 1 45 LEU H 1 45 LEU MD2 3.800 . 3.800 3.816 3.816 3.816 0.016 1 0 "[ ]" 1
408 1 45 LEU HA 1 46 GLU H 2.800 . 2.800 2.261 2.261 2.261 . 0 0 "[ ]" 1
409 1 45 LEU QB 1 46 GLU H 4.200 . 4.200 3.525 3.525 3.525 . 0 0 "[ ]" 1
410 1 45 LEU MD2 1 46 GLU H 3.300 . 3.300 3.317 3.317 3.317 0.017 1 0 "[ ]" 1
411 1 45 LEU MD1 1 46 GLU H 3.300 . 3.300 3.351 3.351 3.351 0.051 1 0 "[ ]" 1
412 1 45 LEU H 1 46 GLU H 4.200 . 4.200 4.370 4.370 4.370 0.170 1 0 "[ ]" 1
413 1 45 LEU H 1 55 LYS HA 5.500 . 5.500 4.234 4.234 4.234 . 0 0 "[ ]" 1
414 1 45 LEU H 1 56 VAL H 2.800 . 2.800 2.638 2.638 2.638 . 0 0 "[ ]" 1
415 1 45 LEU H 1 56 VAL MG2 3.800 . 3.800 2.766 2.766 2.766 . 0 0 "[ ]" 1
416 1 45 LEU MD1 1 58 ALA H 5.500 . 5.500 5.359 5.359 5.359 . 0 0 "[ ]" 1
417 1 45 LEU H 1 58 ALA H 5.500 . 5.500 3.419 3.419 3.419 . 0 0 "[ ]" 1
418 1 45 LEU MD2 1 158 TYR QD 4.200 . 4.200 2.849 2.849 2.849 . 0 0 "[ ]" 1
419 1 45 LEU MD1 1 158 TYR QE 2.800 . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
420 1 46 GLU HA 1 46 GLU QB 3.800 . 3.800 2.498 2.498 2.498 . 0 0 "[ ]" 1
421 1 46 GLU H 1 46 GLU QB 2.800 . 2.800 2.330 2.330 2.330 . 0 0 "[ ]" 1
422 1 46 GLU H 1 46 GLU QG 3.300 . 3.300 3.321 3.321 3.321 0.021 1 0 "[ ]" 1
423 1 46 GLU HA 1 47 THR MG 4.200 . 4.200 4.202 4.202 4.202 0.002 1 0 "[ ]" 1
424 1 46 GLU HA 1 47 THR H 2.800 . 2.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
425 1 46 GLU QG 1 47 THR H 3.800 . 3.800 3.829 3.829 3.829 0.029 1 0 "[ ]" 1
426 1 46 GLU H 1 47 THR H 4.200 . 4.200 4.242 4.242 4.242 0.042 1 0 "[ ]" 1
427 1 46 GLU HA 1 55 LYS HA 3.300 . 3.300 2.404 2.404 2.404 . 0 0 "[ ]" 1
428 1 46 GLU HA 1 55 LYS QG 5.500 . 5.500 3.113 3.113 3.113 . 0 0 "[ ]" 1
429 1 47 THR H 1 47 THR HB 3.800 . 3.800 3.745 3.745 3.745 . 0 0 "[ ]" 1
430 1 47 THR HA 1 48 SER H 3.800 . 3.800 2.273 2.273 2.273 . 0 0 "[ ]" 1
431 1 47 THR HB 1 48 SER H 5.500 . 5.500 3.001 3.001 3.001 . 0 0 "[ ]" 1
432 1 47 THR HB 1 49 ASP H 4.200 . 4.200 2.325 2.325 2.325 . 0 0 "[ ]" 1
433 1 47 THR HB 1 50 ALA H 5.500 . 5.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
434 1 47 THR H 1 54 ASN HA 3.800 . 3.800 3.685 3.685 3.685 . 0 0 "[ ]" 1
435 1 47 THR H 1 54 ASN QB 5.500 . 5.500 3.583 3.583 3.583 . 0 0 "[ ]" 1
436 1 47 THR H 1 55 LYS HA 4.200 . 4.200 3.580 3.580 3.580 . 0 0 "[ ]" 1
437 1 48 SER HA 1 48 SER QB 2.800 . 2.800 2.352 2.352 2.352 . 0 0 "[ ]" 1
438 1 48 SER HA 1 49 ASP H 3.800 . 3.800 3.441 3.441 3.441 . 0 0 "[ ]" 1
439 1 48 SER QB 1 49 ASP H 5.500 . 5.500 3.037 3.037 3.037 . 0 0 "[ ]" 1
440 1 48 SER HA 1 50 ALA H 3.800 . 3.800 3.561 3.561 3.561 . 0 0 "[ ]" 1
441 1 49 ASP H 1 49 ASP QB 2.800 . 2.800 2.182 2.182 2.182 . 0 0 "[ ]" 1
442 1 49 ASP H 1 50 ALA MB 5.500 . 5.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
443 1 49 ASP H 1 50 ALA H 2.800 . 2.800 2.497 2.497 2.497 . 0 0 "[ ]" 1
444 1 49 ASP QB 1 125 TRP HE1 3.800 . 3.800 2.080 2.080 2.080 . 0 0 "[ ]" 1
445 1 50 ALA H 1 50 ALA MB 2.800 . 2.800 2.143 2.143 2.143 . 0 0 "[ ]" 1
446 1 50 ALA MB 1 51 PRO QD 3.800 . 3.800 2.188 2.188 2.188 . 0 0 "[ ]" 1
447 1 50 ALA H 1 51 PRO QD 5.500 . 5.500 4.222 4.222 4.222 . 0 0 "[ ]" 1
448 1 50 ALA HA 1 52 GLU H 4.200 . 4.200 4.205 4.205 4.205 0.005 1 0 "[ ]" 1
449 1 50 ALA MB 1 54 ASN HA 2.800 . 2.800 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
450 1 50 ALA MB 1 54 ASN H 5.500 . 5.500 3.525 3.525 3.525 . 0 0 "[ ]" 1
451 1 50 ALA H 1 54 ASN HA 5.500 . 5.500 3.702 3.702 3.702 . 0 0 "[ ]" 1
452 1 50 ALA MB 1 55 LYS H 5.500 . 5.500 2.966 2.966 2.966 . 0 0 "[ ]" 1
453 1 50 ALA HA 1 56 VAL MG1 2.800 . 2.800 2.802 2.802 2.802 0.002 1 0 "[ ]" 1
454 1 50 ALA HA 1 125 TRP HE1 5.500 . 5.500 3.089 3.089 3.089 . 0 0 "[ ]" 1
455 1 51 PRO HA 1 51 PRO QG 3.800 . 3.800 3.564 3.564 3.564 . 0 0 "[ ]" 1
456 1 51 PRO QB 1 51 PRO QD 5.500 . 5.500 2.974 2.974 2.974 . 0 0 "[ ]" 1
457 1 51 PRO QD 1 51 PRO QG 4.200 . 4.200 1.969 1.969 1.969 . 0 0 "[ ]" 1
458 1 51 PRO QB 1 52 GLU H 5.500 . 5.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
459 1 51 PRO QD 1 52 GLU H 5.500 . 5.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
460 1 51 PRO QB 1 56 VAL MG1 5.500 . 5.500 4.767 4.767 4.767 . 0 0 "[ ]" 1
461 1 51 PRO QD 1 56 VAL MG1 3.800 . 3.800 2.174 2.174 2.174 . 0 0 "[ ]" 1
462 1 51 PRO QD 1 125 TRP HZ2 5.500 . 5.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
463 1 51 PRO QD 1 125 TRP HE1 4.200 . 4.200 3.457 3.457 3.457 . 0 0 "[ ]" 1
464 1 51 PRO QG 1 125 TRP HE1 5.500 . 5.500 5.035 5.035 5.035 . 0 0 "[ ]" 1
465 1 51 PRO QD 1 160 ASP QB 5.500 . 5.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
466 1 52 GLU HA 1 52 GLU QB 3.800 . 3.800 2.510 2.510 2.510 . 0 0 "[ ]" 1
467 1 52 GLU HA 1 52 GLU QG 4.200 . 4.200 2.049 2.049 2.049 . 0 0 "[ ]" 1
468 1 52 GLU H 1 52 GLU QB 5.500 . 5.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
469 1 52 GLU HA 1 53 GLY H 3.300 . 3.300 2.211 2.211 2.211 . 0 0 "[ ]" 1
470 1 52 GLU QG 1 53 GLY H 5.500 . 5.500 3.191 3.191 3.191 . 0 0 "[ ]" 1
471 1 52 GLU H 1 53 GLY H 5.500 . 5.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
472 1 52 GLU H 1 56 VAL MG1 4.200 . 4.200 3.852 3.852 3.852 . 0 0 "[ ]" 1
473 1 53 GLY QA 1 54 ASN QB 5.500 . 5.500 4.163 4.163 4.163 . 0 0 "[ ]" 1
474 1 53 GLY QA 1 54 ASN H 2.800 . 2.800 2.158 2.158 2.158 . 0 0 "[ ]" 1
475 1 53 GLY H 1 54 ASN H 5.500 . 5.500 4.503 4.503 4.503 . 0 0 "[ ]" 1
476 1 53 GLY QA 1 55 LYS H 4.200 . 4.200 3.525 3.525 3.525 . 0 0 "[ ]" 1
477 1 54 ASN HA 1 54 ASN QB 2.800 . 2.800 2.303 2.303 2.303 . 0 0 "[ ]" 1
478 1 54 ASN H 1 54 ASN QB 3.300 . 3.300 2.997 2.997 2.997 . 0 0 "[ ]" 1
479 1 54 ASN HA 1 55 LYS H 3.800 . 3.800 3.053 3.053 3.053 . 0 0 "[ ]" 1
480 1 54 ASN QB 1 55 LYS H 4.200 . 4.200 3.728 3.728 3.728 . 0 0 "[ ]" 1
481 1 54 ASN H 1 55 LYS H 2.800 . 2.800 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
482 1 55 LYS HA 1 55 LYS QB 5.500 . 5.500 2.432 2.432 2.432 . 0 0 "[ ]" 1
483 1 55 LYS HA 1 55 LYS QD 4.200 . 4.200 4.003 4.003 4.003 . 0 0 "[ ]" 1
484 1 55 LYS HA 1 55 LYS QG 4.200 . 4.200 2.331 2.331 2.331 . 0 0 "[ ]" 1
485 1 55 LYS H 1 55 LYS QB 3.300 . 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 1
486 1 55 LYS H 1 55 LYS QG 4.200 . 4.200 3.232 3.232 3.232 . 0 0 "[ ]" 1
487 1 55 LYS HA 1 56 VAL H 2.800 . 2.800 2.239 2.239 2.239 . 0 0 "[ ]" 1
488 1 55 LYS HA 1 56 VAL MG1 5.500 . 5.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
489 1 55 LYS QB 1 56 VAL H 3.300 . 3.300 3.019 3.019 3.019 . 0 0 "[ ]" 1
490 1 55 LYS H 1 56 VAL H 5.500 . 5.500 4.392 4.392 4.392 . 0 0 "[ ]" 1
491 1 56 VAL H 1 56 VAL MG1 3.300 . 3.300 2.862 2.862 2.862 . 0 0 "[ ]" 1
492 1 56 VAL HA 1 57 LEU H 2.800 . 2.800 2.549 2.549 2.549 . 0 0 "[ ]" 1
493 1 56 VAL HB 1 57 LEU H 2.800 . 2.800 2.365 2.365 2.365 . 0 0 "[ ]" 1
494 1 56 VAL MG2 1 57 LEU H 5.500 . 5.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
495 1 56 VAL MG1 1 57 LEU H 3.800 . 3.800 3.864 3.864 3.864 0.064 1 0 "[ ]" 1
496 1 56 VAL MG2 1 58 ALA H 5.500 . 5.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
497 1 56 VAL HB 1 125 TRP HH2 5.500 . 5.500 2.602 2.602 2.602 . 0 0 "[ ]" 1
498 1 56 VAL MG2 1 125 TRP HZ2 5.500 . 5.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
499 1 56 VAL MG1 1 125 TRP HE1 5.500 . 5.500 4.728 4.728 4.728 . 0 0 "[ ]" 1
500 1 56 VAL MG1 1 125 TRP HH2 5.500 . 5.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
501 1 56 VAL MG1 1 125 TRP HZ2 3.300 . 3.300 2.998 2.998 2.998 . 0 0 "[ ]" 1
502 1 56 VAL MG2 1 158 TYR HA 5.500 . 5.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
503 1 56 VAL MG2 1 158 TYR QD 3.300 . 3.300 2.174 2.174 2.174 . 0 0 "[ ]" 1
504 1 56 VAL HB 1 159 ILE H 5.500 . 5.500 3.519 3.519 3.519 . 0 0 "[ ]" 1
505 1 56 VAL MG2 1 159 ILE H 3.800 . 3.800 3.642 3.642 3.642 . 0 0 "[ ]" 1
506 1 56 VAL MG1 1 160 ASP HA 5.500 . 5.500 4.021 4.021 4.021 . 0 0 "[ ]" 1
507 1 56 VAL MG1 1 160 ASP QB 3.300 . 3.300 1.874 1.874 1.874 0.026 1 0 "[ ]" 1
508 1 57 LEU H 1 57 LEU QB 4.200 . 4.200 2.313 2.313 2.313 . 0 0 "[ ]" 1
509 1 57 LEU QB 1 57 LEU MD1 3.300 . 3.300 1.892 1.892 1.892 0.008 1 0 "[ ]" 1
510 1 57 LEU QB 1 57 LEU MD2 3.300 . 3.300 2.070 2.070 2.070 . 0 0 "[ ]" 1
511 1 57 LEU H 1 57 LEU MD1 5.500 . 5.500 4.576 4.576 4.576 . 0 0 "[ ]" 1
512 1 57 LEU H 1 57 LEU MD2 5.500 . 5.500 3.849 3.849 3.849 . 0 0 "[ ]" 1
513 1 57 LEU QB 1 58 ALA H 5.500 . 5.500 3.998 3.998 3.998 . 0 0 "[ ]" 1
514 1 57 LEU MD2 1 58 ALA H 5.500 . 5.500 4.619 4.619 4.619 . 0 0 "[ ]" 1
515 1 57 LEU MD2 1 73 ALA MB 2.800 . 2.800 2.867 2.867 2.867 0.067 1 0 "[ ]" 1
516 1 57 LEU MD2 1 158 TYR HA 3.800 . 3.800 3.866 3.866 3.866 0.066 1 0 "[ ]" 1
517 1 57 LEU QB 1 159 ILE MD 5.500 . 5.500 3.334 3.334 3.334 . 0 0 "[ ]" 1
518 1 57 LEU MD2 1 159 ILE HB 5.500 . 5.500 3.098 3.098 3.098 . 0 0 "[ ]" 1
519 1 57 LEU MD2 1 159 ILE MD 2.800 . 2.800 1.895 1.895 1.895 0.005 1 0 "[ ]" 1
520 1 57 LEU MD2 1 159 ILE QG 4.200 . 4.200 2.246 2.246 2.246 . 0 0 "[ ]" 1
521 1 57 LEU H 1 159 ILE MD 5.500 . 5.500 4.884 4.884 4.884 . 0 0 "[ ]" 1
522 1 57 LEU H 1 159 ILE QG 4.200 . 4.200 4.248 4.248 4.248 0.048 1 0 "[ ]" 1
523 1 57 LEU H 1 159 ILE H 3.800 . 3.800 2.750 2.750 2.750 . 0 0 "[ ]" 1
524 1 57 LEU H 1 160 ASP HA 5.500 . 5.500 4.293 4.293 4.293 . 0 0 "[ ]" 1
525 1 58 ALA MB 1 156 THR MG 2.800 . 2.800 2.543 2.543 2.543 . 0 0 "[ ]" 1
526 1 58 ALA HA 1 158 TYR HA 3.300 . 3.300 2.156 2.156 2.156 . 0 0 "[ ]" 1
527 1 58 ALA HA 1 158 TYR QD 5.500 . 5.500 3.008 3.008 3.008 . 0 0 "[ ]" 1
528 1 58 ALA HA 1 159 ILE H 3.800 . 3.800 3.865 3.865 3.865 0.065 1 0 "[ ]" 1
529 1 59 VAL H 1 59 VAL HB 2.800 . 2.800 2.353 2.353 2.353 . 0 0 "[ ]" 1
530 1 59 VAL H 1 59 VAL MG1 3.300 . 3.300 3.651 3.651 3.651 0.351 1 0 "[ ]" 1
531 1 59 VAL H 1 59 VAL MG2 2.800 . 2.800 2.842 2.842 2.842 0.042 1 0 "[ ]" 1
532 1 59 VAL HB 1 60 THR H 3.800 . 3.800 4.018 4.018 4.018 0.218 1 0 "[ ]" 1
533 1 59 VAL MG1 1 60 THR H 3.300 . 3.300 2.247 2.247 2.247 . 0 0 "[ ]" 1
534 1 59 VAL MG2 1 60 THR H 3.800 . 3.800 3.646 3.646 3.646 . 0 0 "[ ]" 1
535 1 59 VAL H 1 60 THR H 4.200 . 4.200 4.413 4.413 4.413 0.213 1 0 "[ ]" 1
536 1 59 VAL MG1 1 61 VAL HA 5.500 . 5.500 3.426 3.426 3.426 . 0 0 "[ ]" 1
537 1 59 VAL MG1 1 61 VAL H 5.500 . 5.500 2.833 2.833 2.833 . 0 0 "[ ]" 1
538 1 59 VAL MG1 1 61 VAL MG2 2.800 . 2.800 1.946 1.946 1.946 . 0 0 "[ ]" 1
539 1 59 VAL MG1 1 71 ILE MD 5.500 . 5.500 4.295 4.295 4.295 . 0 0 "[ ]" 1
540 1 59 VAL MG1 1 71 ILE MG 3.300 . 3.300 3.015 3.015 3.015 . 0 0 "[ ]" 1
541 1 59 VAL MG2 1 71 ILE MG 4.200 . 4.200 3.591 3.591 3.591 . 0 0 "[ ]" 1
542 1 59 VAL MG1 1 73 ALA MB 5.500 . 5.500 5.019 5.019 5.019 . 0 0 "[ ]" 1
543 1 59 VAL MG2 1 73 ALA MB 3.800 . 3.800 3.824 3.824 3.824 0.024 1 0 "[ ]" 1
544 1 59 VAL H 1 156 THR MG 3.300 . 3.300 2.743 2.743 2.743 . 0 0 "[ ]" 1
545 1 59 VAL MG1 1 157 ILE HB 3.800 . 3.800 3.778 3.778 3.778 . 0 0 "[ ]" 1
546 1 59 VAL MG1 1 157 ILE MD 3.800 . 3.800 2.614 2.614 2.614 . 0 0 "[ ]" 1
547 1 59 VAL MG1 1 157 ILE H 4.200 . 4.200 3.293 3.293 3.293 . 0 0 "[ ]" 1
548 1 59 VAL MG2 1 157 ILE MD 5.500 . 5.500 4.074 4.074 4.074 . 0 0 "[ ]" 1
549 1 59 VAL H 1 157 ILE HB 4.200 . 4.200 4.015 4.015 4.015 . 0 0 "[ ]" 1
550 1 59 VAL H 1 157 ILE MD 5.500 . 5.500 4.629 4.629 4.629 . 0 0 "[ ]" 1
551 1 59 VAL H 1 157 ILE H 3.300 . 3.300 3.319 3.319 3.319 0.019 1 0 "[ ]" 1
552 1 59 VAL H 1 158 TYR HA 3.800 . 3.800 2.972 2.972 2.972 . 0 0 "[ ]" 1
553 1 59 VAL H 1 158 TYR H 5.500 . 5.500 4.504 4.504 4.504 . 0 0 "[ ]" 1
554 1 60 THR H 1 60 THR HB 2.800 . 2.800 2.791 2.791 2.791 . 0 0 "[ ]" 1
555 1 60 THR HA 1 61 VAL H 2.800 . 2.800 2.318 2.318 2.318 . 0 0 "[ ]" 1
556 1 60 THR H 1 61 VAL H 5.500 . 5.500 3.929 3.929 3.929 . 0 0 "[ ]" 1
557 1 61 VAL HA 1 61 VAL MG2 2.800 . 2.800 2.247 2.247 2.247 . 0 0 "[ ]" 1
558 1 61 VAL H 1 61 VAL HB 2.800 . 2.800 2.342 2.342 2.342 . 0 0 "[ ]" 1
559 1 61 VAL H 1 61 VAL MG2 2.800 . 2.800 2.571 2.571 2.571 . 0 0 "[ ]" 1
560 1 61 VAL HA 1 62 ASN H 2.800 . 2.800 2.194 2.194 2.194 . 0 0 "[ ]" 1
561 1 61 VAL MG2 1 62 ASN H 5.500 . 5.500 3.842 3.842 3.842 . 0 0 "[ ]" 1
562 1 61 VAL H 1 62 ASN H 5.500 . 5.500 4.551 4.551 4.551 . 0 0 "[ ]" 1
563 1 61 VAL HA 1 63 GLY H 5.500 . 5.500 4.537 4.537 4.537 . 0 0 "[ ]" 1
564 1 61 VAL MG2 1 152 ASN QB 3.800 . 3.800 3.280 3.280 3.280 . 0 0 "[ ]" 1
565 1 61 VAL HB 1 153 VAL HA 5.500 . 5.500 3.631 3.631 3.631 . 0 0 "[ ]" 1
566 1 61 VAL MG1 1 153 VAL HA 2.800 . 2.800 1.893 1.893 1.893 0.007 1 0 "[ ]" 1
567 1 61 VAL H 1 153 VAL HA 5.500 . 5.500 5.426 5.426 5.426 . 0 0 "[ ]" 1
568 1 61 VAL HB 1 154 GLY H 5.500 . 5.500 4.835 4.835 4.835 . 0 0 "[ ]" 1
569 1 61 VAL H 1 155 ASN H 5.500 . 5.500 4.115 4.115 4.115 . 0 0 "[ ]" 1
570 1 61 VAL H 1 156 THR HA 3.300 . 3.300 2.505 2.505 2.505 . 0 0 "[ ]" 1
571 1 61 VAL H 1 157 ILE H 5.500 . 5.500 3.130 3.130 3.130 . 0 0 "[ ]" 1
572 1 62 ASN QB 1 62 ASN QD 3.800 . 3.800 2.227 2.227 2.227 . 0 0 "[ ]" 1
573 1 62 ASN H 1 62 ASN QB 3.800 . 3.800 3.340 3.340 3.340 . 0 0 "[ ]" 1
574 1 62 ASN HA 1 63 GLY H 4.200 . 4.200 2.596 2.596 2.596 . 0 0 "[ ]" 1
575 1 62 ASN QB 1 63 GLY H 5.500 . 5.500 3.998 3.998 3.998 . 0 0 "[ ]" 1
576 1 62 ASN H 1 63 GLY H 2.800 . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
577 1 62 ASN HA 1 153 VAL MG1 3.800 . 3.800 2.541 2.541 2.541 . 0 0 "[ ]" 1
578 1 62 ASN HA 1 154 GLY H 3.800 . 3.800 1.882 1.882 1.882 0.018 1 0 "[ ]" 1
579 1 62 ASN H 1 157 ILE MD 5.500 . 5.500 5.565 5.565 5.565 0.065 1 0 "[ ]" 1
580 1 63 GLY QA 1 64 VAL MG1 5.500 . 5.500 4.192 4.192 4.192 . 0 0 "[ ]" 1
581 1 63 GLY QA 1 64 VAL H 3.300 . 3.300 2.248 2.248 2.248 . 0 0 "[ ]" 1
582 1 63 GLY H 1 64 VAL MG1 4.200 . 4.200 3.649 3.649 3.649 . 0 0 "[ ]" 1
583 1 63 GLY H 1 64 VAL H 5.500 . 5.500 3.182 3.182 3.182 . 0 0 "[ ]" 1
584 1 63 GLY H 1 71 ILE MD 5.500 . 5.500 4.988 4.988 4.988 . 0 0 "[ ]" 1
585 1 63 GLY QA 1 153 VAL MG2 3.800 . 3.800 3.136 3.136 3.136 . 0 0 "[ ]" 1
586 1 63 GLY QA 1 153 VAL MG1 3.800 . 3.800 3.637 3.637 3.637 . 0 0 "[ ]" 1
587 1 63 GLY H 1 153 VAL MG2 3.800 . 3.800 1.897 1.897 1.897 0.003 1 0 "[ ]" 1
588 1 64 VAL H 1 64 VAL HB 3.800 . 3.800 3.588 3.588 3.588 . 0 0 "[ ]" 1
589 1 64 VAL H 1 64 VAL MG2 2.800 . 2.800 1.863 1.863 1.863 0.037 1 0 "[ ]" 1
590 1 64 VAL H 1 64 VAL MG1 2.800 . 2.800 2.814 2.814 2.814 0.014 1 0 "[ ]" 1
591 1 64 VAL HB 1 65 GLY H 2.800 . 2.800 1.900 1.900 1.900 . 0 0 "[ ]" 1
592 1 64 VAL MG1 1 65 GLY H 3.300 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 1
593 1 64 VAL MG1 1 148 GLY H 5.500 . 5.500 4.258 4.258 4.258 . 0 0 "[ ]" 1
594 1 64 VAL MG2 1 149 TYR HA 5.500 . 5.500 4.020 4.020 4.020 . 0 0 "[ ]" 1
595 1 64 VAL MG1 1 149 TYR HA 5.500 . 5.500 1.902 1.902 1.902 . 0 0 "[ ]" 1
596 1 64 VAL MG1 1 149 TYR H 2.800 . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
597 1 64 VAL MG2 1 150 ALA MB 2.800 . 2.800 2.826 2.826 2.826 0.026 1 0 "[ ]" 1
598 1 64 VAL MG2 1 150 ALA H 5.500 . 5.500 3.502 3.502 3.502 . 0 0 "[ ]" 1
599 1 64 VAL MG2 1 150 ALA HA 2.800 . 2.800 2.814 2.814 2.814 0.014 1 0 "[ ]" 1
600 1 64 VAL MG1 1 150 ALA HA 2.800 . 2.800 2.368 2.368 2.368 . 0 0 "[ ]" 1
601 1 64 VAL MG1 1 150 ALA H 4.200 . 4.200 2.631 2.631 2.631 . 0 0 "[ ]" 1
602 1 64 VAL MG1 1 153 VAL HA 5.500 . 5.500 4.079 4.079 4.079 . 0 0 "[ ]" 1
603 1 64 VAL MG1 1 153 VAL MG2 2.800 . 2.800 1.880 1.880 1.880 0.020 1 0 "[ ]" 1
604 1 64 VAL H 1 153 VAL MG2 3.300 . 3.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
605 1 65 GLY QA 1 66 ASN H 3.800 . 3.800 2.288 2.288 2.288 . 0 0 "[ ]" 1
606 1 65 GLY H 1 71 ILE MD 5.500 . 5.500 5.278 5.278 5.278 . 0 0 "[ ]" 1
607 1 66 ASN QB 1 66 ASN QD 3.300 . 3.300 2.180 2.180 2.180 . 0 0 "[ ]" 1
608 1 66 ASN H 1 66 ASN QD 5.500 . 5.500 4.781 4.781 4.781 . 0 0 "[ ]" 1
609 1 66 ASN QB 1 67 ASN QD 3.800 . 3.800 3.800 3.800 3.800 0.000 1 0 "[ ]" 1
610 1 66 ASN H 1 67 ASN H 2.800 . 2.800 2.541 2.541 2.541 . 0 0 "[ ]" 1
611 1 67 ASN QB 1 67 ASN QD 5.500 . 5.500 2.209 2.209 2.209 . 0 0 "[ ]" 1
612 1 67 ASN HA 1 68 PRO QD 3.300 . 3.300 1.860 1.860 1.860 0.040 1 0 "[ ]" 1
613 1 67 ASN QB 1 68 PRO QD 5.500 . 5.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
614 1 67 ASN QB 1 69 TRP HE1 5.500 . 5.500 2.375 2.375 2.375 . 0 0 "[ ]" 1
615 1 67 ASN QB 1 69 TRP H 5.500 . 5.500 2.412 2.412 2.412 . 0 0 "[ ]" 1
616 1 67 ASN QD 1 69 TRP HZ2 5.500 . 5.500 3.714 3.714 3.714 . 0 0 "[ ]" 1
617 1 67 ASN QD 1 69 TRP HE1 4.200 . 4.200 2.501 2.501 2.501 . 0 0 "[ ]" 1
618 1 67 ASN QB 1 70 ASP H 5.500 . 5.500 4.435 4.435 4.435 . 0 0 "[ ]" 1
619 1 67 ASN H 1 70 ASP H 5.500 . 5.500 5.507 5.507 5.507 0.007 1 0 "[ ]" 1
620 1 68 PRO HA 1 69 TRP H 5.500 . 5.500 3.220 3.220 3.220 . 0 0 "[ ]" 1
621 1 68 PRO QB 1 69 TRP H 5.500 . 5.500 3.847 3.847 3.847 . 0 0 "[ ]" 1
622 1 68 PRO QD 1 69 TRP H 5.500 . 5.500 2.933 2.933 2.933 . 0 0 "[ ]" 1
623 1 68 PRO QG 1 69 TRP H 5.500 . 5.500 3.792 3.792 3.792 . 0 0 "[ ]" 1
624 1 69 TRP HA 1 69 TRP QB 3.300 . 3.300 2.189 2.189 2.189 . 0 0 "[ ]" 1
625 1 69 TRP H 1 69 TRP QB 4.200 . 4.200 3.191 3.191 3.191 . 0 0 "[ ]" 1
626 1 69 TRP HA 1 70 ASP H 5.500 . 5.500 2.650 2.650 2.650 . 0 0 "[ ]" 1
627 1 69 TRP H 1 70 ASP H 3.300 . 3.300 3.007 3.007 3.007 . 0 0 "[ ]" 1
628 1 69 TRP HA 1 146 HIS HD2 5.500 . 5.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
629 1 69 TRP HA 1 147 PHE H 5.500 . 5.500 3.879 3.879 3.879 . 0 0 "[ ]" 1
630 1 70 ASP H 1 70 ASP QB 2.800 . 2.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
631 1 70 ASP H 1 71 ILE H 2.800 . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
632 1 71 ILE H 1 71 ILE MD 5.500 . 5.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
633 1 71 ILE H 1 71 ILE QG 5.500 . 5.500 3.305 3.305 3.305 . 0 0 "[ ]" 1
634 1 71 ILE H 1 71 ILE MG 5.500 . 5.500 3.754 3.754 3.754 . 0 0 "[ ]" 1
635 1 71 ILE MD 1 72 GLU H 5.500 . 5.500 5.039 5.039 5.039 . 0 0 "[ ]" 1
636 1 71 ILE QG 1 72 GLU H 5.500 . 5.500 4.035 4.035 4.035 . 0 0 "[ ]" 1
637 1 71 ILE MG 1 72 GLU H 3.300 . 3.300 2.462 2.462 2.462 . 0 0 "[ ]" 1
638 1 71 ILE MG 1 72 GLU HA 5.500 . 5.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
639 1 71 ILE H 1 72 GLU H 5.500 . 5.500 4.498 4.498 4.498 . 0 0 "[ ]" 1
640 1 71 ILE HB 1 147 PHE H 5.500 . 5.500 4.314 4.314 4.314 . 0 0 "[ ]" 1
641 1 71 ILE MG 1 147 PHE QD 5.500 . 5.500 3.262 3.262 3.262 . 0 0 "[ ]" 1
642 1 71 ILE MG 1 147 PHE H 5.500 . 5.500 4.280 4.280 4.280 . 0 0 "[ ]" 1
643 1 71 ILE HB 1 148 GLY QA 5.500 . 5.500 2.962 2.962 2.962 . 0 0 "[ ]" 1
644 1 71 ILE HB 1 148 GLY H 3.800 . 3.800 3.547 3.547 3.547 . 0 0 "[ ]" 1
645 1 71 ILE MD 1 148 GLY QA 3.800 . 3.800 2.229 2.229 2.229 . 0 0 "[ ]" 1
646 1 71 ILE H 1 148 GLY H 4.200 . 4.200 4.246 4.246 4.246 0.046 1 0 "[ ]" 1
647 1 71 ILE H 1 148 GLY QA 5.500 . 5.500 2.124 2.124 2.124 . 0 0 "[ ]" 1
648 1 72 GLU HA 1 72 GLU QB 3.800 . 3.800 2.416 2.416 2.416 . 0 0 "[ ]" 1
649 1 72 GLU HA 1 72 GLU QG 3.800 . 3.800 2.249 2.249 2.249 . 0 0 "[ ]" 1
650 1 72 GLU H 1 72 GLU QB 3.300 . 3.300 2.626 2.626 2.626 . 0 0 "[ ]" 1
651 1 72 GLU HA 1 73 ALA MB 5.500 . 5.500 4.060 4.060 4.060 . 0 0 "[ ]" 1
652 1 72 GLU HA 1 73 ALA H 2.800 . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1
653 1 72 GLU HA 1 73 ALA HA 5.500 . 5.500 4.451 4.451 4.451 . 0 0 "[ ]" 1
654 1 72 GLU HA 1 145 ILE H 5.500 . 5.500 5.249 5.249 5.249 . 0 0 "[ ]" 1
655 1 72 GLU HA 1 146 HIS HA 5.500 . 5.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
656 1 72 GLU QB 1 146 HIS HD2 5.500 . 5.500 4.899 4.899 4.899 . 0 0 "[ ]" 1
657 1 72 GLU QG 1 146 HIS HD2 5.500 . 5.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
658 1 72 GLU HA 1 147 PHE QD 3.300 . 3.300 2.707 2.707 2.707 . 0 0 "[ ]" 1
659 1 72 GLU HA 1 147 PHE H 4.200 . 4.200 2.924 2.924 2.924 . 0 0 "[ ]" 1
660 1 73 ALA H 1 73 ALA MB 3.300 . 3.300 2.428 2.428 2.428 . 0 0 "[ ]" 1
661 1 73 ALA HA 1 74 THR H 2.800 . 2.800 2.203 2.203 2.203 . 0 0 "[ ]" 1
662 1 73 ALA MB 1 74 THR H 3.800 . 3.800 3.432 3.432 3.432 . 0 0 "[ ]" 1
663 1 73 ALA MB 1 145 ILE HB 3.800 . 3.800 2.589 2.589 2.589 . 0 0 "[ ]" 1
664 1 73 ALA MB 1 145 ILE QG 5.500 . 5.500 3.349 3.349 3.349 . 0 0 "[ ]" 1
665 1 73 ALA MB 1 145 ILE MG 3.800 . 3.800 3.636 3.636 3.636 . 0 0 "[ ]" 1
666 1 73 ALA H 1 145 ILE MG 5.500 . 5.500 4.168 4.168 4.168 . 0 0 "[ ]" 1
667 1 73 ALA H 1 145 ILE H 3.800 . 3.800 3.850 3.850 3.850 0.050 1 0 "[ ]" 1
668 1 73 ALA MB 1 147 PHE QE 4.200 . 4.200 2.437 2.437 2.437 . 0 0 "[ ]" 1
669 1 74 THR HA 1 74 THR MG 3.800 . 3.800 2.359 2.359 2.359 . 0 0 "[ ]" 1
670 1 74 THR H 1 74 THR HB 2.800 . 2.800 2.486 2.486 2.486 . 0 0 "[ ]" 1
671 1 74 THR H 1 74 THR MG 3.800 . 3.800 3.794 3.794 3.794 . 0 0 "[ ]" 1
672 1 74 THR HA 1 75 ALA MB 5.500 . 5.500 4.000 4.000 4.000 . 0 0 "[ ]" 1
673 1 74 THR HA 1 75 ALA H 2.800 . 2.800 2.431 2.431 2.431 . 0 0 "[ ]" 1
674 1 74 THR MG 1 75 ALA H 3.300 . 3.300 1.881 1.881 1.881 0.019 1 0 "[ ]" 1
675 1 74 THR MG 1 76 PHE QB 4.200 . 4.200 2.899 2.899 2.899 . 0 0 "[ ]" 1
676 1 74 THR MG 1 142 ARG HA 3.800 . 3.800 3.728 3.728 3.728 . 0 0 "[ ]" 1
677 1 74 THR MG 1 142 ARG HE 4.200 . 4.200 2.762 2.762 2.762 . 0 0 "[ ]" 1
678 1 74 THR HA 1 143 ALA MB 5.500 . 5.500 4.441 4.441 4.441 . 0 0 "[ ]" 1
679 1 74 THR HA 1 143 ALA H 5.500 . 5.500 5.048 5.048 5.048 . 0 0 "[ ]" 1
680 1 74 THR MG 1 143 ALA HA 5.500 . 5.500 3.671 3.671 3.671 . 0 0 "[ ]" 1
681 1 74 THR HA 1 144 PRO HA 3.300 . 3.300 2.136 2.136 2.136 . 0 0 "[ ]" 1
682 1 74 THR MG 1 144 PRO HA 4.200 . 4.200 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
683 1 74 THR HA 1 145 ILE H 4.200 . 4.200 1.875 1.875 1.875 0.025 1 0 "[ ]" 1
684 1 74 THR MG 1 145 ILE H 5.500 . 5.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
685 1 74 THR H 1 145 ILE MD 5.500 . 5.500 5.556 5.556 5.556 0.056 1 0 "[ ]" 1
686 1 75 ALA H 1 75 ALA MB 2.800 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1
687 1 75 ALA HA 1 76 PHE H 2.800 . 2.800 2.220 2.220 2.220 . 0 0 "[ ]" 1
688 1 75 ALA MB 1 76 PHE H 2.800 . 2.800 2.895 2.895 2.895 0.095 1 0 "[ ]" 1
689 1 75 ALA H 1 76 PHE H 5.500 . 5.500 4.453 4.453 4.453 . 0 0 "[ ]" 1
690 1 75 ALA MB 1 142 ARG HA 5.500 . 5.500 4.127 4.127 4.127 . 0 0 "[ ]" 1
691 1 75 ALA MB 1 143 ALA MB 2.800 . 2.800 2.661 2.661 2.661 . 0 0 "[ ]" 1
692 1 75 ALA MB 1 143 ALA H 3.800 . 3.800 2.872 2.872 2.872 . 0 0 "[ ]" 1
693 1 75 ALA H 1 143 ALA H 3.300 . 3.300 2.993 2.993 2.993 . 0 0 "[ ]" 1
694 1 75 ALA H 1 143 ALA MB 3.300 . 3.300 3.349 3.349 3.349 0.049 1 0 "[ ]" 1
695 1 75 ALA H 1 144 PRO HA 4.200 . 4.200 3.532 3.532 3.532 . 0 0 "[ ]" 1
696 1 75 ALA H 1 145 ILE H 4.200 . 4.200 4.002 4.002 4.002 . 0 0 "[ ]" 1
697 1 75 ALA MB 1 162 LEU MD2 2.800 . 2.800 1.869 1.869 1.869 0.031 1 0 "[ ]" 1
698 1 76 PHE HA 1 76 PHE QD 3.800 . 3.800 3.602 3.602 3.602 . 0 0 "[ ]" 1
699 1 76 PHE H 1 76 PHE QB 3.800 . 3.800 3.200 3.200 3.200 . 0 0 "[ ]" 1
700 1 76 PHE HA 1 77 PRO HA 3.300 . 3.300 2.445 2.445 2.445 . 0 0 "[ ]" 1
701 1 76 PHE QD 1 77 PRO HA 3.800 . 3.800 1.968 1.968 1.968 . 0 0 "[ ]" 1
702 1 76 PHE HA 1 78 VAL H 3.800 . 3.800 3.493 3.493 3.493 . 0 0 "[ ]" 1
703 1 76 PHE HA 1 142 ARG HA 5.500 . 5.500 3.512 3.512 3.512 . 0 0 "[ ]" 1
704 1 76 PHE QB 1 142 ARG HA 5.500 . 5.500 2.915 2.915 2.915 . 0 0 "[ ]" 1
705 1 77 PRO QB 1 77 PRO QD 5.500 . 5.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
706 1 77 PRO QD 1 77 PRO QG 3.300 . 3.300 1.968 1.968 1.968 . 0 0 "[ ]" 1
707 1 77 PRO HA 1 78 VAL MG2 5.500 . 5.500 3.418 3.418 3.418 . 0 0 "[ ]" 1
708 1 77 PRO QB 1 78 VAL H 3.800 . 3.800 2.663 2.663 2.663 . 0 0 "[ ]" 1
709 1 77 PRO HA 1 140 VAL MG1 3.300 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 1
710 1 78 VAL HA 1 78 VAL MG2 3.300 . 3.300 2.339 2.339 2.339 . 0 0 "[ ]" 1
711 1 78 VAL HA 1 78 VAL MG1 3.300 . 3.300 2.288 2.288 2.288 . 0 0 "[ ]" 1
712 1 78 VAL H 1 78 VAL HB 2.800 . 2.800 2.649 2.649 2.649 . 0 0 "[ ]" 1
713 1 78 VAL H 1 78 VAL MG2 3.300 . 3.300 2.805 2.805 2.805 . 0 0 "[ ]" 1
714 1 78 VAL H 1 78 VAL MG1 5.500 . 5.500 3.866 3.866 3.866 . 0 0 "[ ]" 1
715 1 78 VAL HA 1 79 ASN QB 5.500 . 5.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
716 1 78 VAL HA 1 79 ASN H 2.800 . 2.800 2.372 2.372 2.372 . 0 0 "[ ]" 1
717 1 78 VAL MG2 1 79 ASN H 3.800 . 3.800 3.822 3.822 3.822 0.022 1 0 "[ ]" 1
718 1 78 VAL MG1 1 79 ASN H 3.300 . 3.300 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
719 1 78 VAL H 1 79 ASN H 5.500 . 5.500 4.500 4.500 4.500 . 0 0 "[ ]" 1
720 1 78 VAL MG2 1 80 VAL MG1 5.500 . 5.500 4.604 4.604 4.604 . 0 0 "[ ]" 1
721 1 78 VAL MG1 1 80 VAL MG1 2.800 . 2.800 2.333 2.333 2.333 . 0 0 "[ ]" 1
722 1 78 VAL H 1 140 VAL MG1 2.800 . 2.800 2.172 2.172 2.172 . 0 0 "[ ]" 1
723 1 78 VAL HB 1 141 ILE MD 3.800 . 3.800 2.668 2.668 2.668 . 0 0 "[ ]" 1
724 1 78 VAL HB 1 141 ILE H 3.800 . 3.800 2.121 2.121 2.121 . 0 0 "[ ]" 1
725 1 78 VAL MG2 1 141 ILE H 5.500 . 5.500 3.739 3.739 3.739 . 0 0 "[ ]" 1
726 1 78 VAL MG1 1 141 ILE H 5.500 . 5.500 3.277 3.277 3.277 . 0 0 "[ ]" 1
727 1 78 VAL MG1 1 141 ILE MD 3.300 . 3.300 1.886 1.886 1.886 0.014 1 0 "[ ]" 1
728 1 78 VAL H 1 141 ILE H 3.800 . 3.800 2.742 2.742 2.742 . 0 0 "[ ]" 1
729 1 78 VAL MG2 1 142 ARG HA 3.800 . 3.800 2.482 2.482 2.482 . 0 0 "[ ]" 1
730 1 78 VAL H 1 142 ARG HA 5.500 . 5.500 4.408 4.408 4.408 . 0 0 "[ ]" 1
731 1 78 VAL MG2 1 143 ALA H 3.800 . 3.800 3.333 3.333 3.333 . 0 0 "[ ]" 1
732 1 79 ASN HA 1 79 ASN QB 3.800 . 3.800 2.421 2.421 2.421 . 0 0 "[ ]" 1
733 1 79 ASN QB 1 79 ASN QD 3.800 . 3.800 2.186 2.186 2.186 . 0 0 "[ ]" 1
734 1 79 ASN H 1 79 ASN QB 2.800 . 2.800 2.514 2.514 2.514 . 0 0 "[ ]" 1
735 1 79 ASN HA 1 80 VAL MG2 3.800 . 3.800 3.515 3.515 3.515 . 0 0 "[ ]" 1
736 1 79 ASN HA 1 80 VAL MG1 5.500 . 5.500 4.074 4.074 4.074 . 0 0 "[ ]" 1
737 1 79 ASN HA 1 80 VAL H 2.800 . 2.800 2.187 2.187 2.187 . 0 0 "[ ]" 1
738 1 79 ASN H 1 80 VAL MG1 5.500 . 5.500 3.857 3.857 3.857 . 0 0 "[ ]" 1
739 1 79 ASN HA 1 140 VAL HA 3.800 . 3.800 2.754 2.754 2.754 . 0 0 "[ ]" 1
740 1 79 ASN HA 1 140 VAL MG1 5.500 . 5.500 4.189 4.189 4.189 . 0 0 "[ ]" 1
741 1 79 ASN HA 1 140 VAL MG2 3.800 . 3.800 2.908 2.908 2.908 . 0 0 "[ ]" 1
742 1 79 ASN HA 1 141 ILE H 5.500 . 5.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
743 1 80 VAL HA 1 80 VAL HB 2.800 . 2.800 2.594 2.594 2.594 . 0 0 "[ ]" 1
744 1 80 VAL HA 1 80 VAL MG2 3.300 . 3.300 3.165 3.165 3.165 . 0 0 "[ ]" 1
745 1 80 VAL HA 1 80 VAL MG1 2.800 . 2.800 2.275 2.275 2.275 . 0 0 "[ ]" 1
746 1 80 VAL H 1 80 VAL MG2 2.800 . 2.800 1.892 1.892 1.892 0.008 1 0 "[ ]" 1
747 1 80 VAL HA 1 81 ARG H 2.800 . 2.800 2.678 2.678 2.678 . 0 0 "[ ]" 1
748 1 80 VAL MG2 1 81 ARG HA 5.500 . 5.500 4.071 4.071 4.071 . 0 0 "[ ]" 1
749 1 80 VAL MG2 1 81 ARG H 3.800 . 3.800 3.357 3.357 3.357 . 0 0 "[ ]" 1
750 1 80 VAL MG1 1 81 ARG H 3.300 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 1
751 1 80 VAL MG2 1 86 TYR QE 5.500 . 5.500 4.698 4.698 4.698 . 0 0 "[ ]" 1
752 1 80 VAL MG1 1 86 TYR QD 5.500 . 5.500 2.752 2.752 2.752 . 0 0 "[ ]" 1
753 1 80 VAL MG1 1 86 TYR QE 3.300 . 3.300 3.303 3.303 3.303 0.003 1 0 "[ ]" 1
754 1 80 VAL MG2 1 134 VAL MG1 2.800 . 2.800 2.824 2.824 2.824 0.024 1 0 "[ ]" 1
755 1 80 VAL MG1 1 134 VAL MG1 5.500 . 5.500 4.534 4.534 4.534 . 0 0 "[ ]" 1
756 1 80 VAL MG2 1 139 THR HB 5.500 . 5.500 4.154 4.154 4.154 . 0 0 "[ ]" 1
757 1 80 VAL MG2 1 139 THR MG 3.800 . 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 1
758 1 80 VAL H 1 140 VAL HA 3.800 . 3.800 3.371 3.371 3.371 . 0 0 "[ ]" 1
759 1 80 VAL H 1 140 VAL MG1 5.500 . 5.500 5.284 5.284 5.284 . 0 0 "[ ]" 1
760 1 80 VAL MG2 1 141 ILE H 5.500 . 5.500 3.564 3.564 3.564 . 0 0 "[ ]" 1
761 1 80 VAL MG2 1 141 ILE MG 2.800 . 2.800 2.720 2.720 2.720 . 0 0 "[ ]" 1
762 1 80 VAL MG1 1 141 ILE QG 3.800 . 3.800 2.220 2.220 2.220 . 0 0 "[ ]" 1
763 1 80 VAL MG1 1 141 ILE H 5.500 . 5.500 4.311 4.311 4.311 . 0 0 "[ ]" 1
764 1 80 VAL MG1 1 141 ILE MD 2.800 . 2.800 2.606 2.606 2.606 . 0 0 "[ ]" 1
765 1 80 VAL MG1 1 141 ILE MG 4.200 . 4.200 3.380 3.380 3.380 . 0 0 "[ ]" 1
766 1 80 VAL MG1 1 164 ILE MG 3.800 . 3.800 2.409 2.409 2.409 . 0 0 "[ ]" 1
767 1 81 ARG H 1 81 ARG QB 3.300 . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 1
768 1 81 ARG HA 1 82 PRO QD 2.800 . 2.800 1.867 1.867 1.867 0.033 1 0 "[ ]" 1
769 1 81 ARG HA 1 139 THR MG 3.300 . 3.300 3.309 3.309 3.309 0.009 1 0 "[ ]" 1
770 1 82 PRO QB 1 82 PRO QD 5.500 . 5.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
771 1 82 PRO HA 1 83 GLY H 2.800 . 2.800 2.266 2.266 2.266 . 0 0 "[ ]" 1
772 1 82 PRO QB 1 83 GLY H 4.200 . 4.200 3.713 3.713 3.713 . 0 0 "[ ]" 1
773 1 82 PRO HA 1 84 VAL H 5.500 . 5.500 4.062 4.062 4.062 . 0 0 "[ ]" 1
774 1 82 PRO HA 1 134 VAL HB 3.800 . 3.800 2.618 2.618 2.618 . 0 0 "[ ]" 1
775 1 82 PRO HA 1 134 VAL MG2 5.500 . 5.500 2.661 2.661 2.661 . 0 0 "[ ]" 1
776 1 82 PRO HA 1 134 VAL MG1 2.800 . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
777 1 82 PRO HA 1 134 VAL H 5.500 . 5.500 4.809 4.809 4.809 . 0 0 "[ ]" 1
778 1 82 PRO QB 1 134 VAL MG1 4.200 . 4.200 3.333 3.333 3.333 . 0 0 "[ ]" 1
779 1 82 PRO QD 1 139 THR MG 3.300 . 3.300 2.582 2.582 2.582 . 0 0 "[ ]" 1
780 1 83 GLY H 1 83 GLY QA 2.800 . 2.800 2.383 2.383 2.383 . 0 0 "[ ]" 1
781 1 83 GLY QA 1 84 VAL H 4.200 . 4.200 2.781 2.781 2.781 . 0 0 "[ ]" 1
782 1 83 GLY H 1 84 VAL H 2.800 . 2.800 2.751 2.751 2.751 . 0 0 "[ ]" 1
783 1 83 GLY H 1 134 VAL HB 2.800 . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
784 1 83 GLY H 1 134 VAL H 5.500 . 5.500 4.085 4.085 4.085 . 0 0 "[ ]" 1
785 1 84 VAL HA 1 84 VAL MG1 2.800 . 2.800 2.622 2.622 2.622 . 0 0 "[ ]" 1
786 1 84 VAL HA 1 84 VAL MG2 2.800 . 2.800 2.164 2.164 2.164 . 0 0 "[ ]" 1
787 1 84 VAL H 1 84 VAL HB 2.800 . 2.800 2.171 2.171 2.171 . 0 0 "[ ]" 1
788 1 84 VAL H 1 84 VAL MG1 3.300 . 3.300 3.559 3.559 3.559 0.259 1 0 "[ ]" 1
789 1 84 VAL H 1 84 VAL MG2 2.800 . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 1
790 1 84 VAL HA 1 85 THR H 2.800 . 2.800 2.240 2.240 2.240 . 0 0 "[ ]" 1
791 1 84 VAL HB 1 85 THR H 3.800 . 3.800 4.070 4.070 4.070 0.270 1 0 "[ ]" 1
792 1 84 VAL MG1 1 85 THR H 2.800 . 2.800 2.105 2.105 2.105 . 0 0 "[ ]" 1
793 1 84 VAL MG2 1 85 THR H 3.300 . 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 1
794 1 84 VAL H 1 85 THR H 5.500 . 5.500 4.571 4.571 4.571 . 0 0 "[ ]" 1
795 1 84 VAL MG2 1 86 TYR QE 3.800 . 3.800 3.801 3.801 3.801 0.001 1 0 "[ ]" 1
796 1 84 VAL H 1 133 THR MG 5.500 . 5.500 5.278 5.278 5.278 . 0 0 "[ ]" 1
797 1 84 VAL MG1 1 166 SER HA 5.500 . 5.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
798 1 84 VAL MG1 1 166 SER QB 2.800 . 2.800 2.806 2.806 2.806 0.006 1 0 "[ ]" 1
799 1 84 VAL MG2 1 166 SER QB 5.500 . 5.500 4.604 4.604 4.604 . 0 0 "[ ]" 1
800 1 85 THR H 1 85 THR HB 2.800 . 2.800 2.433 2.433 2.433 . 0 0 "[ ]" 1
801 1 85 THR MG 1 131 GLU HA 5.500 . 5.500 3.883 3.883 3.883 . 0 0 "[ ]" 1
802 1 85 THR MG 1 167 GLN QE 5.500 . 5.500 4.925 4.925 4.925 . 0 0 "[ ]" 1
803 1 86 TYR HA 1 86 TYR QD 4.200 . 4.200 2.806 2.806 2.806 . 0 0 "[ ]" 1
804 1 86 TYR H 1 86 TYR QB 3.800 . 3.800 2.322 2.322 2.322 . 0 0 "[ ]" 1
805 1 86 TYR H 1 86 TYR QD 2.800 . 2.800 2.754 2.754 2.754 . 0 0 "[ ]" 1
806 1 86 TYR HA 1 87 THR H 2.800 . 2.800 2.511 2.511 2.511 . 0 0 "[ ]" 1
807 1 86 TYR QB 1 87 THR H 3.300 . 3.300 2.322 2.322 2.322 . 0 0 "[ ]" 1
808 1 86 TYR QD 1 87 THR H 3.800 . 3.800 3.575 3.575 3.575 . 0 0 "[ ]" 1
809 1 86 TYR QB 1 164 ILE MG 3.300 . 3.300 2.078 2.078 2.078 . 0 0 "[ ]" 1
810 1 86 TYR QD 1 164 ILE MG 2.800 . 2.800 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
811 1 86 TYR QB 1 165 ALA H 5.500 . 5.500 3.728 3.728 3.728 . 0 0 "[ ]" 1
812 1 86 TYR QD 1 165 ALA HA 5.500 . 5.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
813 1 86 TYR QE 1 165 ALA MB 5.500 . 5.500 4.525 4.525 4.525 . 0 0 "[ ]" 1
814 1 86 TYR QD 1 166 SER HA 5.500 . 5.500 4.754 4.754 4.754 . 0 0 "[ ]" 1
815 1 86 TYR QD 1 166 SER H 4.200 . 4.200 3.935 3.935 3.935 . 0 0 "[ ]" 1
816 1 86 TYR QE 1 166 SER H 5.500 . 5.500 4.227 4.227 4.227 . 0 0 "[ ]" 1
817 1 87 THR H 1 87 THR HB 2.800 . 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 1
818 1 87 THR HA 1 131 GLU HA 3.300 . 3.300 2.637 2.637 2.637 . 0 0 "[ ]" 1
819 1 87 THR MG 1 131 GLU HA 5.500 . 5.500 3.246 3.246 3.246 . 0 0 "[ ]" 1
820 1 87 THR H 1 164 ILE MG 5.500 . 5.500 3.210 3.210 3.210 . 0 0 "[ ]" 1
821 1 87 THR HB 1 165 ALA MB 4.200 . 4.200 3.932 3.932 3.932 . 0 0 "[ ]" 1
822 1 87 THR HB 1 165 ALA H 5.500 . 5.500 2.877 2.877 2.877 . 0 0 "[ ]" 1
823 1 87 THR H 1 165 ALA MB 5.500 . 5.500 4.119 4.119 4.119 . 0 0 "[ ]" 1
824 1 87 THR H 1 166 SER HA 3.800 . 3.800 2.900 2.900 2.900 . 0 0 "[ ]" 1
825 1 87 THR H 1 167 GLN H 5.500 . 5.500 5.330 5.330 5.330 . 0 0 "[ ]" 1
826 1 88 TYR H 1 88 TYR QB 3.300 . 3.300 2.534 2.534 2.534 . 0 0 "[ ]" 1
827 1 88 TYR HA 1 89 THR H 2.800 . 2.800 2.198 2.198 2.198 . 0 0 "[ ]" 1
828 1 88 TYR QD 1 105 VAL MG1 5.500 . 5.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
829 1 88 TYR QE 1 105 VAL MG1 5.500 . 5.500 2.596 2.596 2.596 . 0 0 "[ ]" 1
830 1 88 TYR QB 1 130 PHE H 3.800 . 3.800 3.238 3.238 3.238 . 0 0 "[ ]" 1
831 1 88 TYR QD 1 130 PHE H 3.300 . 3.300 3.317 3.317 3.317 0.017 1 0 "[ ]" 1
832 1 88 TYR H 1 131 GLU HA 3.800 . 3.800 3.482 3.482 3.482 . 0 0 "[ ]" 1
833 1 88 TYR H 1 131 GLU QG 4.200 . 4.200 4.191 4.191 4.191 . 0 0 "[ ]" 1
834 1 88 TYR HA 1 164 ILE HA 3.800 . 3.800 2.712 2.712 2.712 . 0 0 "[ ]" 1
835 1 89 THR HA 1 89 THR MG 2.800 . 2.800 2.492 2.492 2.492 . 0 0 "[ ]" 1
836 1 89 THR H 1 89 THR MG 3.800 . 3.800 3.818 3.818 3.818 0.018 1 0 "[ ]" 1
837 1 89 THR HA 1 90 ILE H 2.800 . 2.800 2.306 2.306 2.306 . 0 0 "[ ]" 1
838 1 89 THR HA 1 90 ILE MG 5.500 . 5.500 3.928 3.928 3.928 . 0 0 "[ ]" 1
839 1 89 THR HB 1 90 ILE H 5.500 . 5.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
840 1 89 THR MG 1 90 ILE H 2.800 . 2.800 2.341 2.341 2.341 . 0 0 "[ ]" 1
841 1 89 THR MG 1 91 TRP HE1 2.800 . 2.800 2.086 2.086 2.086 . 0 0 "[ ]" 1
842 1 89 THR HA 1 128 PHE H 5.500 . 5.500 4.581 4.581 4.581 . 0 0 "[ ]" 1
843 1 89 THR MG 1 128 PHE H 3.800 . 3.800 3.556 3.556 3.556 . 0 0 "[ ]" 1
844 1 89 THR HA 1 129 THR HA 3.800 . 3.800 2.237 2.237 2.237 . 0 0 "[ ]" 1
845 1 89 THR MG 1 129 THR HA 5.500 . 5.500 3.914 3.914 3.914 . 0 0 "[ ]" 1
846 1 89 THR HA 1 130 PHE H 3.800 . 3.800 3.893 3.893 3.893 0.093 1 0 "[ ]" 1
847 1 89 THR H 1 162 LEU MD1 3.800 . 3.800 3.686 3.686 3.686 . 0 0 "[ ]" 1
848 1 89 THR HB 1 163 ALA MB 3.300 . 3.300 3.338 3.338 3.338 0.038 1 0 "[ ]" 1
849 1 89 THR HB 1 163 ALA H 5.500 . 5.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
850 1 89 THR MG 1 163 ALA H 5.500 . 5.500 4.410 4.410 4.410 . 0 0 "[ ]" 1
851 1 89 THR H 1 163 ALA H 3.300 . 3.300 2.865 2.865 2.865 . 0 0 "[ ]" 1
852 1 89 THR H 1 164 ILE HA 5.500 . 5.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
853 1 90 ILE H 1 90 ILE HB 3.800 . 3.800 3.283 3.283 3.283 . 0 0 "[ ]" 1
854 1 90 ILE MD 1 90 ILE MG 2.800 . 2.800 2.078 2.078 2.078 . 0 0 "[ ]" 1
855 1 90 ILE H 1 90 ILE MD 5.500 . 5.500 4.766 4.766 4.766 . 0 0 "[ ]" 1
856 1 90 ILE H 1 90 ILE MG 2.800 . 2.800 2.402 2.402 2.402 . 0 0 "[ ]" 1
857 1 90 ILE MD 1 91 TRP H 3.800 . 3.800 3.637 3.637 3.637 . 0 0 "[ ]" 1
858 1 90 ILE QG 1 91 TRP H 2.800 . 2.800 1.877 1.877 1.877 0.023 1 0 "[ ]" 1
859 1 90 ILE MG 1 91 TRP H 3.800 . 3.800 3.356 3.356 3.356 . 0 0 "[ ]" 1
860 1 90 ILE MG 1 92 ALA MB 3.800 . 3.800 3.804 3.804 3.804 0.004 1 0 "[ ]" 1
861 1 90 ILE MG 1 103 PHE QD 5.500 . 5.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
862 1 90 ILE MG 1 103 PHE QE 3.300 . 3.300 3.317 3.317 3.317 0.017 1 0 "[ ]" 1
863 1 90 ILE MG 1 128 PHE HB2 3.300 . 3.300 2.692 2.692 2.692 . 0 0 "[ ]" 1
864 1 90 ILE MG 1 128 PHE H 3.800 . 3.800 2.880 2.880 2.880 . 0 0 "[ ]" 1
865 1 90 ILE H 1 128 PHE H 2.800 . 2.800 2.863 2.863 2.863 0.063 1 0 "[ ]" 1
866 1 90 ILE H 1 129 THR HA 4.200 . 4.200 3.738 3.738 3.738 . 0 0 "[ ]" 1
867 1 90 ILE MG 1 159 ILE MG 4.200 . 4.200 4.001 4.001 4.001 . 0 0 "[ ]" 1
868 1 90 ILE MD 1 160 ASP H 5.500 . 5.500 4.030 4.030 4.030 . 0 0 "[ ]" 1
869 1 90 ILE HB 1 162 LEU MD1 3.800 . 3.800 2.490 2.490 2.490 . 0 0 "[ ]" 1
870 1 90 ILE MD 1 162 LEU MD1 2.800 . 2.800 2.786 2.786 2.786 . 0 0 "[ ]" 1
871 1 90 ILE MG 1 162 LEU MD1 5.500 . 5.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
872 1 90 ILE HB 1 163 ALA H 3.800 . 3.800 3.832 3.832 3.832 0.032 1 0 "[ ]" 1
873 1 90 ILE MD 1 163 ALA H 5.500 . 5.500 4.913 4.913 4.913 . 0 0 "[ ]" 1
874 1 91 TRP H 1 91 TRP HB2 3.300 . 3.300 2.720 2.720 2.720 . 0 0 "[ ]" 1
875 1 91 TRP H 1 91 TRP HD1 3.300 . 3.300 2.499 2.499 2.499 . 0 0 "[ ]" 1
876 1 91 TRP HA 1 92 ALA MB 5.500 . 5.500 3.981 3.981 3.981 . 0 0 "[ ]" 1
877 1 91 TRP HA 1 92 ALA H 2.800 . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1
878 1 91 TRP HB2 1 92 ALA H 4.200 . 4.200 4.227 4.227 4.227 0.027 1 0 "[ ]" 1
879 1 91 TRP HB3 1 92 ALA H 3.800 . 3.800 3.377 3.377 3.377 . 0 0 "[ ]" 1
880 1 91 TRP H 1 92 ALA H 5.500 . 5.500 4.287 4.287 4.287 . 0 0 "[ ]" 1
881 1 91 TRP HA 1 126 GLN H 5.500 . 5.500 3.490 3.490 3.490 . 0 0 "[ ]" 1
882 1 91 TRP HA 1 128 PHE H 3.800 . 3.800 3.414 3.414 3.414 . 0 0 "[ ]" 1
883 1 91 TRP H 1 160 ASP H 3.300 . 3.300 3.369 3.369 3.369 0.069 1 0 "[ ]" 1
884 1 91 TRP HD1 1 161 GLY QA 5.500 . 5.500 1.893 1.893 1.893 0.007 1 0 "[ ]" 1
885 1 92 ALA H 1 92 ALA MB 2.800 . 2.800 2.312 2.312 2.312 . 0 0 "[ ]" 1
886 1 92 ALA HA 1 93 ARG H 2.800 . 2.800 2.295 2.295 2.295 . 0 0 "[ ]" 1
887 1 92 ALA MB 1 93 ARG H 2.800 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
888 1 92 ALA H 1 93 ARG H 5.500 . 5.500 4.530 4.530 4.530 . 0 0 "[ ]" 1
889 1 92 ALA MB 1 101 VAL MG1 5.500 . 5.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
890 1 92 ALA HA 1 125 TRP HZ3 5.500 . 5.500 3.232 3.232 3.232 . 0 0 "[ ]" 1
891 1 92 ALA H 1 126 GLN H 3.300 . 3.300 2.239 2.239 2.239 . 0 0 "[ ]" 1
892 1 92 ALA MB 1 128 PHE QE 5.500 . 5.500 5.497 5.497 5.497 . 0 0 "[ ]" 1
893 1 92 ALA MB 1 158 TYR H 5.500 . 5.500 5.110 5.110 5.110 . 0 0 "[ ]" 1
894 1 92 ALA HA 1 159 ILE HA 3.800 . 3.800 2.580 2.580 2.580 . 0 0 "[ ]" 1
895 1 92 ALA HA 1 159 ILE MG 5.500 . 5.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
896 1 92 ALA MB 1 159 ILE MG 2.800 . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
897 1 92 ALA HA 1 160 ASP H 3.800 . 3.800 3.380 3.380 3.380 . 0 0 "[ ]" 1
898 1 93 ARG HA 1 93 ARG QB 3.300 . 3.300 2.341 2.341 2.341 . 0 0 "[ ]" 1
899 1 93 ARG HA 1 93 ARG QG 5.500 . 5.500 2.465 2.465 2.465 . 0 0 "[ ]" 1
900 1 93 ARG QB 1 93 ARG HE 5.500 . 5.500 2.780 2.780 2.780 . 0 0 "[ ]" 1
901 1 93 ARG HE 1 93 ARG QG 5.500 . 5.500 2.875 2.875 2.875 . 0 0 "[ ]" 1
902 1 93 ARG H 1 93 ARG QG 5.500 . 5.500 4.109 4.109 4.109 . 0 0 "[ ]" 1
903 1 93 ARG HA 1 94 ALA H 2.800 . 2.800 2.192 2.192 2.192 . 0 0 "[ ]" 1
904 1 93 ARG QB 1 94 ALA H 3.800 . 3.800 3.846 3.846 3.846 0.046 1 0 "[ ]" 1
905 1 93 ARG QG 1 94 ALA H 4.200 . 4.200 2.869 2.869 2.869 . 0 0 "[ ]" 1
906 1 93 ARG H 1 94 ALA H 5.500 . 5.500 4.013 4.013 4.013 . 0 0 "[ ]" 1
907 1 93 ARG H 1 121 ILE MG 3.800 . 3.800 3.406 3.406 3.406 . 0 0 "[ ]" 1
908 1 93 ARG QB 1 125 TRP H 5.500 . 5.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
909 1 93 ARG QD 1 125 TRP H 4.200 . 4.200 3.081 3.081 3.081 . 0 0 "[ ]" 1
910 1 93 ARG QD 1 125 TRP HE1 3.800 . 3.800 2.603 2.603 2.603 . 0 0 "[ ]" 1
911 1 93 ARG HE 1 125 TRP HE1 3.800 . 3.800 3.086 3.086 3.086 . 0 0 "[ ]" 1
912 1 93 ARG HE 1 125 TRP HZ2 5.500 . 5.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
913 1 93 ARG QG 1 125 TRP HE1 5.500 . 5.500 4.727 4.727 4.727 . 0 0 "[ ]" 1
914 1 93 ARG H 1 125 TRP HZ3 5.500 . 5.500 3.285 3.285 3.285 . 0 0 "[ ]" 1
915 1 93 ARG QB 1 126 GLN H 5.500 . 5.500 3.708 3.708 3.708 . 0 0 "[ ]" 1
916 1 93 ARG H 1 157 ILE HA 5.500 . 5.500 4.734 4.734 4.734 . 0 0 "[ ]" 1
917 1 93 ARG QG 1 158 TYR QD 5.500 . 5.500 4.205 4.205 4.205 . 0 0 "[ ]" 1
918 1 93 ARG H 1 158 TYR HB2 3.800 . 3.800 3.510 3.510 3.510 . 0 0 "[ ]" 1
919 1 93 ARG H 1 158 TYR HB3 5.500 . 5.500 4.758 4.758 4.758 . 0 0 "[ ]" 1
920 1 93 ARG H 1 158 TYR H 3.300 . 3.300 3.347 3.347 3.347 0.047 1 0 "[ ]" 1
921 1 93 ARG H 1 159 ILE MG 4.200 . 4.200 4.268 4.268 4.268 0.068 1 0 "[ ]" 1
922 1 94 ALA H 1 94 ALA MB 2.800 . 2.800 2.273 2.273 2.273 . 0 0 "[ ]" 1
923 1 94 ALA HA 1 95 GLU H 2.800 . 2.800 2.317 2.317 2.317 . 0 0 "[ ]" 1
924 1 94 ALA HA 1 95 GLU HA 5.500 . 5.500 4.369 4.369 4.369 . 0 0 "[ ]" 1
925 1 94 ALA MB 1 95 GLU H 2.800 . 2.800 2.709 2.709 2.709 . 0 0 "[ ]" 1
926 1 94 ALA HA 1 96 GLN H 5.500 . 5.500 4.181 4.181 4.181 . 0 0 "[ ]" 1
927 1 94 ALA MB 1 96 GLN H 3.300 . 3.300 2.444 2.444 2.444 . 0 0 "[ ]" 1
928 1 94 ALA H 1 123 THR HA 2.800 . 2.800 2.837 2.837 2.837 0.037 1 0 "[ ]" 1
929 1 94 ALA MB 1 155 ASN QD 4.200 . 4.200 3.554 3.554 3.554 . 0 0 "[ ]" 1
930 1 94 ALA HA 1 158 TYR QD 5.500 . 5.500 2.035 2.035 2.035 . 0 0 "[ ]" 1
931 1 94 ALA HA 1 158 TYR QE 5.500 . 5.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
932 1 94 ALA HA 1 158 TYR H 3.300 . 3.300 2.268 2.268 2.268 . 0 0 "[ ]" 1
933 1 94 ALA MB 1 158 TYR H 3.300 . 3.300 3.315 3.315 3.315 0.015 1 0 "[ ]" 1
934 1 95 GLU H 1 95 GLU QB 3.300 . 3.300 2.073 2.073 2.073 . 0 0 "[ ]" 1
935 1 95 GLU H 1 95 GLU QG 4.200 . 4.200 3.327 3.327 3.327 . 0 0 "[ ]" 1
936 1 95 GLU HA 1 96 GLN H 4.200 . 4.200 3.543 3.543 3.543 . 0 0 "[ ]" 1
937 1 95 GLU QB 1 96 GLN H 4.200 . 4.200 2.770 2.770 2.770 . 0 0 "[ ]" 1
938 1 95 GLU H 1 96 GLN H 2.800 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
939 1 95 GLU HA 1 156 THR H 5.500 . 5.500 5.404 5.404 5.404 . 0 0 "[ ]" 1
940 1 95 GLU QB 1 156 THR H 2.800 . 2.800 2.792 2.792 2.792 . 0 0 "[ ]" 1
941 1 95 GLU H 1 156 THR HB 3.800 . 3.800 2.709 2.709 2.709 . 0 0 "[ ]" 1
942 1 95 GLU H 1 156 THR MG 5.500 . 5.500 3.622 3.622 3.622 . 0 0 "[ ]" 1
943 1 95 GLU H 1 157 ILE HA 3.800 . 3.800 3.851 3.851 3.851 0.051 1 0 "[ ]" 1
944 1 95 GLU HA 1 158 TYR QE 4.200 . 4.200 3.811 3.811 3.811 . 0 0 "[ ]" 1
945 1 95 GLU QB 1 158 TYR QE 3.800 . 3.800 2.449 2.449 2.449 . 0 0 "[ ]" 1
946 1 95 GLU QG 1 158 TYR QE 3.800 . 3.800 2.683 2.683 2.683 . 0 0 "[ ]" 1
947 1 95 GLU H 1 158 TYR H 5.500 . 5.500 4.176 4.176 4.176 . 0 0 "[ ]" 1
948 1 95 GLU H 1 158 TYR QE 4.200 . 4.200 2.267 2.267 2.267 . 0 0 "[ ]" 1
949 1 96 GLN H 1 96 GLN QB 2.800 . 2.800 2.394 2.394 2.394 . 0 0 "[ ]" 1
950 1 96 GLN QE 1 96 GLN QG 4.200 . 4.200 2.533 2.533 2.533 . 0 0 "[ ]" 1
951 1 96 GLN QB 1 97 ASP H 3.300 . 3.300 3.071 3.071 3.071 . 0 0 "[ ]" 1
952 1 96 GLN H 1 123 THR MG 4.200 . 4.200 3.680 3.680 3.680 . 0 0 "[ ]" 1
953 1 96 GLN QB 1 155 ASN QD 5.500 . 5.500 1.896 1.896 1.896 0.004 1 0 "[ ]" 1
954 1 96 GLN QE 1 155 ASN HA 5.500 . 5.500 3.120 3.120 3.120 . 0 0 "[ ]" 1
955 1 96 GLN H 1 155 ASN QD 3.800 . 3.800 3.802 3.802 3.802 0.002 1 0 "[ ]" 1
956 1 97 ASP HA 1 97 ASP QB 3.300 . 3.300 2.197 2.197 2.197 . 0 0 "[ ]" 1
957 1 97 ASP H 1 97 ASP HA 2.800 . 2.800 2.874 2.874 2.874 0.074 1 0 "[ ]" 1
958 1 97 ASP H 1 97 ASP QB 2.800 . 2.800 2.640 2.640 2.640 . 0 0 "[ ]" 1
959 1 97 ASP HA 1 98 GLY QA 5.500 . 5.500 4.112 4.112 4.112 . 0 0 "[ ]" 1
960 1 97 ASP HA 1 98 GLY H 2.800 . 2.800 2.435 2.435 2.435 . 0 0 "[ ]" 1
961 1 97 ASP HA 1 99 ALA H 3.800 . 3.800 3.824 3.824 3.824 0.024 1 0 "[ ]" 1
962 1 97 ASP QB 1 99 ALA MB 5.500 . 5.500 5.270 5.270 5.270 . 0 0 "[ ]" 1
963 1 97 ASP HA 1 122 THR HA 2.800 . 2.800 2.808 2.808 2.808 0.008 1 0 "[ ]" 1
964 1 97 ASP QB 1 122 THR HA 5.500 . 5.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
965 1 97 ASP H 1 122 THR HA 5.500 . 5.500 5.124 5.124 5.124 . 0 0 "[ ]" 1
966 1 97 ASP HA 1 123 THR MG 3.800 . 3.800 2.324 2.324 2.324 . 0 0 "[ ]" 1
967 1 97 ASP HA 1 123 THR H 5.500 . 5.500 3.376 3.376 3.376 . 0 0 "[ ]" 1
968 1 97 ASP HA 1 123 THR HA 5.500 . 5.500 3.555 3.555 3.555 . 0 0 "[ ]" 1
969 1 97 ASP H 1 123 THR MG 2.800 . 2.800 1.877 1.877 1.877 0.023 1 0 "[ ]" 1
970 1 98 GLY H 1 98 GLY QA 2.800 . 2.800 2.292 2.292 2.292 . 0 0 "[ ]" 1
971 1 98 GLY QA 1 99 ALA H 4.200 . 4.200 2.713 2.713 2.713 . 0 0 "[ ]" 1
972 1 98 GLY H 1 99 ALA H 2.800 . 2.800 2.395 2.395 2.395 . 0 0 "[ ]" 1
973 1 98 GLY H 1 122 THR HA 3.800 . 3.800 3.224 3.224 3.224 . 0 0 "[ ]" 1
974 1 98 GLY H 1 122 THR MG 5.500 . 5.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
975 1 98 GLY H 1 123 THR H 5.500 . 5.500 5.101 5.101 5.101 . 0 0 "[ ]" 1
976 1 99 ALA H 1 99 ALA MB 2.800 . 2.800 2.389 2.389 2.389 . 0 0 "[ ]" 1
977 1 99 ALA MB 1 100 VAL H 2.800 . 2.800 2.899 2.899 2.899 0.099 1 0 "[ ]" 1
978 1 99 ALA H 1 100 VAL MG2 4.200 . 4.200 4.279 4.279 4.279 0.079 1 0 "[ ]" 1
979 1 99 ALA MB 1 121 ILE HB 2.800 . 2.800 2.621 2.621 2.621 . 0 0 "[ ]" 1
980 1 99 ALA H 1 121 ILE HB 3.300 . 3.300 3.350 3.350 3.350 0.050 1 0 "[ ]" 1
981 1 99 ALA H 1 121 ILE H 4.200 . 4.200 2.330 2.330 2.330 . 0 0 "[ ]" 1
982 1 99 ALA H 1 121 ILE MD 5.500 . 5.500 5.224 5.224 5.224 . 0 0 "[ ]" 1
983 1 99 ALA H 1 122 THR HA 5.500 . 5.500 4.723 4.723 4.723 . 0 0 "[ ]" 1
984 1 99 ALA MB 1 155 ASN QD 3.300 . 3.300 2.725 2.725 2.725 . 0 0 "[ ]" 1
985 1 99 ALA H 1 155 ASN QD 4.200 . 4.200 4.201 4.201 4.201 0.001 1 0 "[ ]" 1
986 1 100 VAL H 1 100 VAL MG1 3.800 . 3.800 3.769 3.769 3.769 . 0 0 "[ ]" 1
987 1 100 VAL H 1 100 VAL MG2 2.800 . 2.800 2.850 2.850 2.850 0.050 1 0 "[ ]" 1
988 1 100 VAL HA 1 101 VAL H 2.800 . 2.800 2.254 2.254 2.254 . 0 0 "[ ]" 1
989 1 100 VAL MG1 1 101 VAL H 2.800 . 2.800 1.890 1.890 1.890 0.010 1 0 "[ ]" 1
990 1 100 VAL MG1 1 101 VAL HA 5.500 . 5.500 3.330 3.330 3.330 . 0 0 "[ ]" 1
991 1 100 VAL MG1 1 101 VAL MG2 3.800 . 3.800 3.862 3.862 3.862 0.062 1 0 "[ ]" 1
992 1 100 VAL H 1 101 VAL H 5.500 . 5.500 4.535 4.535 4.535 . 0 0 "[ ]" 1
993 1 100 VAL H 1 101 VAL MG2 5.500 . 5.500 3.745 3.745 3.745 . 0 0 "[ ]" 1
994 1 100 VAL MG1 1 118 GLU HA 3.300 . 3.300 2.414 2.414 2.414 . 0 0 "[ ]" 1
995 1 100 VAL MG1 1 118 GLU QG 5.500 . 5.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
996 1 100 VAL MG1 1 118 GLU H 5.500 . 5.500 3.258 3.258 3.258 . 0 0 "[ ]" 1
997 1 100 VAL MG1 1 118 GLU QB 5.500 . 5.500 4.174 4.174 4.174 . 0 0 "[ ]" 1
998 1 100 VAL MG1 1 119 GLN H 3.300 . 3.300 2.330 2.330 2.330 . 0 0 "[ ]" 1
999 1 100 VAL MG2 1 120 GLN QE 5.500 . 5.500 3.799 3.799 3.799 . 0 0 "[ ]" 1
1000 1 100 VAL MG1 1 121 ILE H 5.500 . 5.500 5.479 5.479 5.479 . 0 0 "[ ]" 1
1001 1 100 VAL MG1 1 121 ILE MD 5.500 . 5.500 4.471 4.471 4.471 . 0 0 "[ ]" 1
1002 1 100 VAL MG1 1 147 PHE HA 5.500 . 5.500 5.536 5.536 5.536 0.036 1 0 "[ ]" 1
1003 1 100 VAL MG1 1 149 TYR QB 5.500 . 5.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
1004 1 100 VAL MG1 1 149 TYR QD 5.500 . 5.500 3.254 3.254 3.254 . 0 0 "[ ]" 1
1005 1 100 VAL MG1 1 149 TYR QE 4.200 . 4.200 4.202 4.202 4.202 0.002 1 0 "[ ]" 1
1006 1 100 VAL MG2 1 149 TYR QB 5.500 . 5.500 4.357 4.357 4.357 . 0 0 "[ ]" 1
1007 1 100 VAL MG1 1 151 ALA MB 3.300 . 3.300 3.064 3.064 3.064 . 0 0 "[ ]" 1
1008 1 100 VAL MG2 1 151 ALA MB 2.800 . 2.800 1.870 1.870 1.870 0.030 1 0 "[ ]" 1
1009 1 100 VAL MG2 1 151 ALA HA 5.500 . 5.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
1010 1 100 VAL H 1 151 ALA MB 3.800 . 3.800 3.085 3.085 3.085 . 0 0 "[ ]" 1
1011 1 100 VAL HB 1 152 ASN QD 5.500 . 5.500 4.791 4.791 4.791 . 0 0 "[ ]" 1
1012 1 100 VAL H 1 152 ASN QD 4.200 . 4.200 3.745 3.745 3.745 . 0 0 "[ ]" 1
1013 1 100 VAL H 1 157 ILE MD 5.500 . 5.500 5.066 5.066 5.066 . 0 0 "[ ]" 1
1014 1 101 VAL HA 1 101 VAL MG1 3.300 . 3.300 2.332 2.332 2.332 . 0 0 "[ ]" 1
1015 1 101 VAL HA 1 101 VAL MG2 3.300 . 3.300 2.400 2.400 2.400 . 0 0 "[ ]" 1
1016 1 101 VAL H 1 101 VAL HB 3.300 . 3.300 2.870 2.870 2.870 . 0 0 "[ ]" 1
1017 1 101 VAL H 1 101 VAL MG1 5.500 . 5.500 3.958 3.958 3.958 . 0 0 "[ ]" 1
1018 1 101 VAL H 1 101 VAL MG2 3.300 . 3.300 2.936 2.936 2.936 . 0 0 "[ ]" 1
1019 1 101 VAL HA 1 102 SER H 2.800 . 2.800 2.438 2.438 2.438 . 0 0 "[ ]" 1
1020 1 101 VAL HB 1 102 SER H 5.500 . 5.500 3.633 3.633 3.633 . 0 0 "[ ]" 1
1021 1 101 VAL MG1 1 102 SER HA 5.500 . 5.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
1022 1 101 VAL MG1 1 102 SER H 2.800 . 2.800 1.878 1.878 1.878 0.022 1 0 "[ ]" 1
1023 1 101 VAL MG2 1 102 SER H 3.800 . 3.800 3.807 3.807 3.807 0.007 1 0 "[ ]" 1
1024 1 101 VAL H 1 102 SER H 5.500 . 5.500 4.440 4.440 4.440 . 0 0 "[ ]" 1
1025 1 101 VAL MG1 1 103 PHE H 5.500 . 5.500 4.321 4.321 4.321 . 0 0 "[ ]" 1
1026 1 101 VAL H 1 118 GLU HA 5.500 . 5.500 4.605 4.605 4.605 . 0 0 "[ ]" 1
1027 1 101 VAL H 1 119 GLN H 3.300 . 3.300 2.863 2.863 2.863 . 0 0 "[ ]" 1
1028 1 101 VAL MG1 1 121 ILE MD 5.500 . 5.500 4.417 4.417 4.417 . 0 0 "[ ]" 1
1029 1 101 VAL H 1 121 ILE QG 4.200 . 4.200 3.206 3.206 3.206 . 0 0 "[ ]" 1
1030 1 101 VAL H 1 121 ILE H 5.500 . 5.500 5.505 5.505 5.505 0.005 1 0 "[ ]" 1
1031 1 101 VAL H 1 121 ILE MD 5.500 . 5.500 3.412 3.412 3.412 . 0 0 "[ ]" 1
1032 1 101 VAL MG1 1 145 ILE MD 5.500 . 5.500 4.427 4.427 4.427 . 0 0 "[ ]" 1
1033 1 101 VAL MG1 1 145 ILE MG 2.800 . 2.800 2.189 2.189 2.189 . 0 0 "[ ]" 1
1034 1 101 VAL MG2 1 145 ILE MG 4.200 . 4.200 4.228 4.228 4.228 0.028 1 0 "[ ]" 1
1035 1 101 VAL MG1 1 146 HIS H 4.200 . 4.200 3.842 3.842 3.842 . 0 0 "[ ]" 1
1036 1 101 VAL HA 1 147 PHE HA 5.500 . 5.500 3.786 3.786 3.786 . 0 0 "[ ]" 1
1037 1 101 VAL MG1 1 147 PHE HA 5.500 . 5.500 3.845 3.845 3.845 . 0 0 "[ ]" 1
1038 1 101 VAL MG2 1 147 PHE HA 4.200 . 4.200 4.225 4.225 4.225 0.025 1 0 "[ ]" 1
1039 1 101 VAL HA 1 149 TYR QD 4.200 . 4.200 3.597 3.597 3.597 . 0 0 "[ ]" 1
1040 1 101 VAL HA 1 149 TYR QE 4.200 . 4.200 3.862 3.862 3.862 . 0 0 "[ ]" 1
1041 1 101 VAL MG1 1 152 ASN QD 5.500 . 5.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
1042 1 101 VAL MG2 1 152 ASN QD 5.500 . 5.500 1.878 1.878 1.878 0.022 1 0 "[ ]" 1
1043 1 101 VAL MG1 1 157 ILE MD 4.200 . 4.200 4.267 4.267 4.267 0.067 1 0 "[ ]" 1
1044 1 101 VAL MG1 1 157 ILE MG 4.200 . 4.200 3.224 3.224 3.224 . 0 0 "[ ]" 1
1045 1 101 VAL MG1 1 159 ILE MG 5.500 . 5.500 3.083 3.083 3.083 . 0 0 "[ ]" 1
1046 1 101 VAL MG1 1 159 ILE MD 5.500 . 5.500 3.187 3.187 3.187 . 0 0 "[ ]" 1
1047 1 102 SER HA 1 102 SER QB 5.500 . 5.500 2.363 2.363 2.363 . 0 0 "[ ]" 1
1048 1 102 SER H 1 102 SER QB 3.800 . 3.800 2.625 2.625 2.625 . 0 0 "[ ]" 1
1049 1 102 SER HA 1 103 PHE QD 5.500 . 5.500 2.894 2.894 2.894 . 0 0 "[ ]" 1
1050 1 102 SER HA 1 103 PHE H 2.800 . 2.800 2.222 2.222 2.222 . 0 0 "[ ]" 1
1051 1 102 SER QB 1 103 PHE H 5.500 . 5.500 3.151 3.151 3.151 . 0 0 "[ ]" 1
1052 1 102 SER H 1 103 PHE H 5.500 . 5.500 4.392 4.392 4.392 . 0 0 "[ ]" 1
1053 1 102 SER HA 1 104 THR MG 5.500 . 5.500 4.544 4.544 4.544 . 0 0 "[ ]" 1
1054 1 102 SER QB 1 104 THR MG 5.500 . 5.500 3.332 3.332 3.332 . 0 0 "[ ]" 1
1055 1 102 SER HA 1 117 HIS HA 5.500 . 5.500 1.867 1.867 1.867 0.033 1 0 "[ ]" 1
1056 1 102 SER HA 1 118 GLU H 5.500 . 5.500 2.741 2.741 2.741 . 0 0 "[ ]" 1
1057 1 102 SER HA 1 119 GLN H 5.500 . 5.500 4.479 4.479 4.479 . 0 0 "[ ]" 1
1058 1 102 SER H 1 145 ILE MG 5.500 . 5.500 2.964 2.964 2.964 . 0 0 "[ ]" 1
1059 1 102 SER QB 1 146 HIS H 5.500 . 5.500 2.045 2.045 2.045 . 0 0 "[ ]" 1
1060 1 102 SER H 1 146 HIS H 3.800 . 3.800 3.129 3.129 3.129 . 0 0 "[ ]" 1
1061 1 103 PHE H 1 103 PHE HB2 3.300 . 3.300 2.930 2.930 2.930 . 0 0 "[ ]" 1
1062 1 103 PHE H 1 103 PHE HB3 4.200 . 4.200 3.867 3.867 3.867 . 0 0 "[ ]" 1
1063 1 103 PHE HB3 1 104 THR H 5.500 . 5.500 3.901 3.901 3.901 . 0 0 "[ ]" 1
1064 1 103 PHE H 1 104 THR MG 4.200 . 4.200 3.439 3.439 3.439 . 0 0 "[ ]" 1
1065 1 103 PHE HB2 1 116 LEU MD2 5.500 . 5.500 4.114 4.114 4.114 . 0 0 "[ ]" 1
1066 1 103 PHE HB2 1 116 LEU MD1 4.200 . 4.200 1.898 1.898 1.898 0.002 1 0 "[ ]" 1
1067 1 103 PHE HB2 1 116 LEU H 4.200 . 4.200 4.213 4.213 4.213 0.013 1 0 "[ ]" 1
1068 1 103 PHE H 1 116 LEU QB 4.200 . 4.200 4.222 4.222 4.222 0.022 1 0 "[ ]" 1
1069 1 103 PHE H 1 116 LEU MD1 3.800 . 3.800 3.806 3.806 3.806 0.006 1 0 "[ ]" 1
1070 1 103 PHE QE 1 121 ILE MD 3.300 . 3.300 3.130 3.130 3.130 . 0 0 "[ ]" 1
1071 1 103 PHE HZ 1 121 ILE MD 3.300 . 3.300 3.006 3.006 3.006 . 0 0 "[ ]" 1
1072 1 103 PHE QD 1 145 ILE MG 5.500 . 5.500 2.427 2.427 2.427 . 0 0 "[ ]" 1
1073 1 103 PHE QE 1 145 ILE MG 3.800 . 3.800 3.087 3.087 3.087 . 0 0 "[ ]" 1
1074 1 104 THR HA 1 104 THR MG 3.300 . 3.300 2.260 2.260 2.260 . 0 0 "[ ]" 1
1075 1 104 THR H 1 104 THR MG 2.800 . 2.800 2.932 2.932 2.932 0.132 1 0 "[ ]" 1
1076 1 104 THR HA 1 105 VAL MG2 5.500 . 5.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
1077 1 104 THR HA 1 105 VAL H 2.800 . 2.800 2.437 2.437 2.437 . 0 0 "[ ]" 1
1078 1 104 THR HB 1 105 VAL H 2.800 . 2.800 2.333 2.333 2.333 . 0 0 "[ ]" 1
1079 1 104 THR MG 1 105 VAL H 3.300 . 3.300 3.469 3.469 3.469 0.169 1 0 "[ ]" 1
1080 1 104 THR HA 1 115 ARG HA 3.300 . 3.300 2.587 2.587 2.587 . 0 0 "[ ]" 1
1081 1 104 THR HA 1 115 ARG QB 5.500 . 5.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
1082 1 104 THR MG 1 115 ARG QD 5.500 . 5.500 5.081 5.081 5.081 . 0 0 "[ ]" 1
1083 1 104 THR MG 1 115 ARG HE 4.200 . 4.200 4.079 4.079 4.079 . 0 0 "[ ]" 1
1084 1 104 THR HA 1 116 LEU H 5.500 . 5.500 2.990 2.990 2.990 . 0 0 "[ ]" 1
1085 1 104 THR MG 1 116 LEU H 4.200 . 4.200 2.502 2.502 2.502 . 0 0 "[ ]" 1
1086 1 104 THR HA 1 130 PHE QE 5.500 . 5.500 4.853 4.853 4.853 . 0 0 "[ ]" 1
1087 1 104 THR HA 1 130 PHE HZ 5.500 . 5.500 5.377 5.377 5.377 . 0 0 "[ ]" 1
1088 1 105 VAL H 1 105 VAL HB 3.300 . 3.300 3.403 3.403 3.403 0.103 1 0 "[ ]" 1
1089 1 105 VAL H 1 105 VAL MG2 2.800 . 2.800 1.870 1.870 1.870 0.030 1 0 "[ ]" 1
1090 1 105 VAL H 1 105 VAL MG1 3.300 . 3.300 3.579 3.579 3.579 0.279 1 0 "[ ]" 1
1091 1 105 VAL MG2 1 113 TYR QD 3.300 . 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 1
1092 1 105 VAL MG2 1 113 TYR H 5.500 . 5.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
1093 1 105 VAL MG1 1 113 TYR QD 3.300 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 1
1094 1 105 VAL MG1 1 113 TYR HB2 5.500 . 5.500 4.254 4.254 4.254 . 0 0 "[ ]" 1
1095 1 105 VAL HB 1 114 GLY H 5.500 . 5.500 2.927 2.927 2.927 . 0 0 "[ ]" 1
1096 1 105 VAL MG2 1 114 GLY H 3.300 . 3.300 1.797 1.797 1.797 0.103 1 0 "[ ]" 1
1097 1 105 VAL MG1 1 114 GLY H 3.800 . 3.800 3.871 3.871 3.871 0.071 1 0 "[ ]" 1
1098 1 105 VAL H 1 114 GLY H 3.800 . 3.800 3.829 3.829 3.829 0.029 1 0 "[ ]" 1
1099 1 105 VAL MG2 1 130 PHE QE 5.500 . 5.500 2.898 2.898 2.898 . 0 0 "[ ]" 1
1100 1 105 VAL MG2 1 130 PHE HZ 5.500 . 5.500 1.895 1.895 1.895 0.005 1 0 "[ ]" 1
1101 1 105 VAL MG1 1 130 PHE QE 5.500 . 5.500 3.838 3.838 3.838 . 0 0 "[ ]" 1
1102 1 105 VAL MG1 1 130 PHE HZ 3.800 . 3.800 3.016 3.016 3.016 . 0 0 "[ ]" 1
1103 1 105 VAL H 1 130 PHE QE 5.500 . 5.500 5.353 5.353 5.353 . 0 0 "[ ]" 1
1104 1 105 VAL HB 1 143 ALA HA 5.500 . 5.500 4.282 4.282 4.282 . 0 0 "[ ]" 1
1105 1 105 VAL MG2 1 143 ALA HA 5.500 . 5.500 4.118 4.118 4.118 . 0 0 "[ ]" 1
1106 1 105 VAL MG1 1 143 ALA HA 4.200 . 4.200 2.525 2.525 2.525 . 0 0 "[ ]" 1
1107 1 105 VAL MG1 1 143 ALA H 3.300 . 3.300 3.405 3.405 3.405 0.105 1 0 "[ ]" 1
1108 1 105 VAL MG1 1 144 PRO QD 5.500 . 5.500 3.607 3.607 3.607 . 0 0 "[ ]" 1
1109 1 106 GLY QA 1 107 ASN H 4.200 . 4.200 2.234 2.234 2.234 . 0 0 "[ ]" 1
1110 1 106 GLY QA 1 113 TYR H 5.500 . 5.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
1111 1 106 GLY H 1 141 ILE MD 5.500 . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
1112 1 106 GLY H 1 143 ALA HA 4.200 . 4.200 3.004 3.004 3.004 . 0 0 "[ ]" 1
1113 1 107 ASN HA 1 107 ASN QB 3.800 . 3.800 2.180 2.180 2.180 . 0 0 "[ ]" 1
1114 1 107 ASN H 1 107 ASN QB 3.800 . 3.800 2.460 2.460 2.460 . 0 0 "[ ]" 1
1115 1 107 ASN QB 1 107 ASN QD 5.500 . 5.500 2.533 2.533 2.533 . 0 0 "[ ]" 1
1116 1 107 ASN HA 1 108 GLN H 3.300 . 3.300 2.731 2.731 2.731 . 0 0 "[ ]" 1
1117 1 107 ASN QB 1 108 GLN H 3.300 . 3.300 2.295 2.295 2.295 . 0 0 "[ ]" 1
1118 1 107 ASN QD 1 108 GLN HA 5.500 . 5.500 4.891 4.891 4.891 . 0 0 "[ ]" 1
1119 1 107 ASN H 1 108 GLN H 5.500 . 5.500 4.477 4.477 4.477 . 0 0 "[ ]" 1
1120 1 107 ASN HA 1 109 SER H 5.500 . 5.500 4.431 4.431 4.431 . 0 0 "[ ]" 1
1121 1 107 ASN H 1 110 PHE H 5.500 . 5.500 4.054 4.054 4.054 . 0 0 "[ ]" 1
1122 1 107 ASN QD 1 111 GLN QG 5.500 . 5.500 2.174 2.174 2.174 . 0 0 "[ ]" 1
1123 1 107 ASN QD 1 111 GLN H 3.800 . 3.800 1.872 1.872 1.872 0.028 1 0 "[ ]" 1
1124 1 107 ASN QD 1 111 GLN QB 5.500 . 5.500 1.900 1.900 1.900 . 0 0 "[ ]" 1
1125 1 107 ASN H 1 111 GLN H 3.300 . 3.300 3.300 3.300 3.300 0.000 1 0 "[ ]" 1
1126 1 107 ASN H 1 112 GLU H 5.500 . 5.500 4.971 4.971 4.971 . 0 0 "[ ]" 1
1127 1 107 ASN HA 1 113 TYR QE 5.500 . 5.500 4.042 4.042 4.042 . 0 0 "[ ]" 1
1128 1 107 ASN H 1 113 TYR H 5.500 . 5.500 5.286 5.286 5.286 . 0 0 "[ ]" 1
1129 1 107 ASN QD 1 138 GLU QG 5.500 . 5.500 3.039 3.039 3.039 . 0 0 "[ ]" 1
1130 1 107 ASN HA 1 141 ILE HB 3.800 . 3.800 3.553 3.553 3.553 . 0 0 "[ ]" 1
1131 1 107 ASN QB 1 141 ILE MG 5.500 . 5.500 1.873 1.873 1.873 0.027 1 0 "[ ]" 1
1132 1 107 ASN HA 1 142 ARG H 4.200 . 4.200 2.865 2.865 2.865 . 0 0 "[ ]" 1
1133 1 108 GLN HA 1 108 GLN QB 3.300 . 3.300 2.320 2.320 2.320 . 0 0 "[ ]" 1
1134 1 108 GLN HA 1 108 GLN QG 3.800 . 3.800 2.407 2.407 2.407 . 0 0 "[ ]" 1
1135 1 108 GLN H 1 108 GLN QB 3.800 . 3.800 2.607 2.607 2.607 . 0 0 "[ ]" 1
1136 1 108 GLN QE 1 108 GLN QG 3.300 . 3.300 2.311 2.311 2.311 . 0 0 "[ ]" 1
1137 1 108 GLN H 1 108 GLN QG 5.500 . 5.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
1138 1 108 GLN HA 1 109 SER H 3.800 . 3.800 3.499 3.499 3.499 . 0 0 "[ ]" 1
1139 1 108 GLN QB 1 109 SER H 5.500 . 5.500 2.867 2.867 2.867 . 0 0 "[ ]" 1
1140 1 108 GLN QG 1 109 SER H 5.500 . 5.500 4.272 4.272 4.272 . 0 0 "[ ]" 1
1141 1 108 GLN H 1 109 SER H 3.800 . 3.800 2.720 2.720 2.720 . 0 0 "[ ]" 1
1142 1 108 GLN QE 1 140 VAL MG2 3.800 . 3.800 3.804 3.804 3.804 0.004 1 0 "[ ]" 1
1143 1 108 GLN QE 1 140 VAL MG1 3.300 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1
1144 1 108 GLN QE 1 140 VAL H 5.500 . 5.500 3.803 3.803 3.803 . 0 0 "[ ]" 1
1145 1 108 GLN QE 1 140 VAL HB 3.800 . 3.800 2.442 2.442 2.442 . 0 0 "[ ]" 1
1146 1 108 GLN QE 1 141 ILE HA 5.500 . 5.500 4.185 4.185 4.185 . 0 0 "[ ]" 1
1147 1 108 GLN QG 1 141 ILE HA 5.500 . 5.500 4.700 4.700 4.700 . 0 0 "[ ]" 1
1148 1 108 GLN H 1 141 ILE MG 5.500 . 5.500 4.300 4.300 4.300 . 0 0 "[ ]" 1
1149 1 108 GLN H 1 141 ILE HA 5.500 . 5.500 4.073 4.073 4.073 . 0 0 "[ ]" 1
1150 1 108 GLN HA 1 142 ARG QD 5.500 . 5.500 3.445 3.445 3.445 . 0 0 "[ ]" 1
1151 1 108 GLN HA 1 142 ARG QG 5.500 . 5.500 5.097 5.097 5.097 . 0 0 "[ ]" 1
1152 1 109 SER HA 1 109 SER QB 3.300 . 3.300 2.542 2.542 2.542 . 0 0 "[ ]" 1
1153 1 109 SER H 1 109 SER HA 2.800 . 2.800 2.903 2.903 2.903 0.103 1 0 "[ ]" 1
1154 1 109 SER H 1 109 SER QB 2.800 . 2.800 2.098 2.098 2.098 . 0 0 "[ ]" 1
1155 1 109 SER HA 1 110 PHE QD 5.500 . 5.500 4.083 4.083 4.083 . 0 0 "[ ]" 1
1156 1 109 SER HA 1 110 PHE H 3.300 . 3.300 3.203 3.203 3.203 . 0 0 "[ ]" 1
1157 1 110 PHE HA 1 110 PHE QB 3.800 . 3.800 2.301 2.301 2.301 . 0 0 "[ ]" 1
1158 1 110 PHE HA 1 110 PHE QD 3.800 . 3.800 2.032 2.032 2.032 . 0 0 "[ ]" 1
1159 1 110 PHE HA 1 110 PHE QE 5.500 . 5.500 4.410 4.410 4.410 . 0 0 "[ ]" 1
1160 1 110 PHE H 1 110 PHE QB 3.800 . 3.800 3.469 3.469 3.469 . 0 0 "[ ]" 1
1161 1 110 PHE HA 1 111 GLN H 3.300 . 3.300 3.280 3.280 3.280 . 0 0 "[ ]" 1
1162 1 110 PHE QB 1 111 GLN H 5.500 . 5.500 3.436 3.436 3.436 . 0 0 "[ ]" 1
1163 1 111 GLN H 1 111 GLN QB 3.800 . 3.800 2.533 2.533 2.533 . 0 0 "[ ]" 1
1164 1 111 GLN H 1 111 GLN QG 3.800 . 3.800 1.979 1.979 1.979 . 0 0 "[ ]" 1
1165 1 111 GLN HA 1 112 GLU H 2.800 . 2.800 2.224 2.224 2.224 . 0 0 "[ ]" 1
1166 1 111 GLN H 1 112 GLU H 5.500 . 5.500 4.351 4.351 4.351 . 0 0 "[ ]" 1
1167 1 112 GLU H 1 112 GLU QG 3.800 . 3.800 3.812 3.812 3.812 0.012 1 0 "[ ]" 1
1168 1 112 GLU QG 1 113 TYR H 5.500 . 5.500 2.125 2.125 2.125 . 0 0 "[ ]" 1
1169 1 112 GLU QB 1 114 GLY H 5.500 . 5.500 5.359 5.359 5.359 . 0 0 "[ ]" 1
1170 1 112 GLU QG 1 114 GLY H 3.300 . 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 1
1171 1 113 TYR HA 1 113 TYR QD 2.800 . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
1172 1 113 TYR H 1 113 TYR HB2 3.800 . 3.800 2.795 2.795 2.795 . 0 0 "[ ]" 1
1173 1 113 TYR H 1 113 TYR HB3 4.200 . 4.200 3.756 3.756 3.756 . 0 0 "[ ]" 1
1174 1 113 TYR HA 1 114 GLY H 4.200 . 4.200 3.579 3.579 3.579 . 0 0 "[ ]" 1
1175 1 113 TYR HB2 1 114 GLY H 3.300 . 3.300 1.891 1.891 1.891 0.009 1 0 "[ ]" 1
1176 1 113 TYR HB3 1 114 GLY H 3.800 . 3.800 3.325 3.325 3.325 . 0 0 "[ ]" 1
1177 1 113 TYR H 1 114 GLY H 2.800 . 2.800 2.590 2.590 2.590 . 0 0 "[ ]" 1
1178 1 113 TYR QD 1 134 VAL HA 4.200 . 4.200 4.030 4.030 4.030 . 0 0 "[ ]" 1
1179 1 113 TYR QE 1 134 VAL HA 5.500 . 5.500 3.539 3.539 3.539 . 0 0 "[ ]" 1
1180 1 113 TYR QD 1 135 SER H 2.800 . 2.800 2.483 2.483 2.483 . 0 0 "[ ]" 1
1181 1 113 TYR QE 1 135 SER H 2.800 . 2.800 2.106 2.106 2.106 . 0 0 "[ ]" 1
1182 1 113 TYR QE 1 136 ASP H 2.800 . 2.800 2.822 2.822 2.822 0.022 1 0 "[ ]" 1
1183 1 113 TYR QD 1 141 ILE MD 3.800 . 3.800 3.472 3.472 3.472 . 0 0 "[ ]" 1
1184 1 113 TYR QD 1 141 ILE MG 5.500 . 5.500 3.711 3.711 3.711 . 0 0 "[ ]" 1
1185 1 113 TYR QE 1 141 ILE MD 3.300 . 3.300 3.300 3.300 3.300 . 0 0 "[ ]" 1
1186 1 113 TYR QE 1 141 ILE MG 2.800 . 2.800 1.888 1.888 1.888 0.012 1 0 "[ ]" 1
1187 1 114 GLY QA 1 115 ARG H 3.300 . 3.300 2.304 2.304 2.304 . 0 0 "[ ]" 1
1188 1 115 ARG QB 1 115 ARG HE 5.500 . 5.500 1.930 1.930 1.930 . 0 0 "[ ]" 1
1189 1 115 ARG H 1 115 ARG QD 5.500 . 5.500 4.130 4.130 4.130 . 0 0 "[ ]" 1
1190 1 115 ARG HE 1 115 ARG QG 3.800 . 3.800 3.036 3.036 3.036 . 0 0 "[ ]" 1
1191 1 115 ARG H 1 115 ARG QG 5.500 . 5.500 2.426 2.426 2.426 . 0 0 "[ ]" 1
1192 1 115 ARG HA 1 116 LEU H 2.800 . 2.800 2.183 2.183 2.183 . 0 0 "[ ]" 1
1193 1 115 ARG QB 1 116 LEU H 5.500 . 5.500 3.472 3.472 3.472 . 0 0 "[ ]" 1
1194 1 115 ARG H 1 116 LEU H 5.500 . 5.500 3.980 3.980 3.980 . 0 0 "[ ]" 1
1195 1 116 LEU H 1 116 LEU QB 3.300 . 3.300 3.307 3.307 3.307 0.007 1 0 "[ ]" 1
1196 1 116 LEU QB 1 119 GLN QE 5.500 . 5.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
1197 1 116 LEU MD1 1 128 PHE HB2 3.800 . 3.800 3.824 3.824 3.824 0.024 1 0 "[ ]" 1
1198 1 116 LEU MD1 1 128 PHE H 5.500 . 5.500 5.236 5.236 5.236 . 0 0 "[ ]" 1
1199 1 116 LEU MD2 1 130 PHE QB 3.800 . 3.800 2.842 2.842 2.842 . 0 0 "[ ]" 1
1200 1 116 LEU MD2 1 130 PHE QD 3.800 . 3.800 1.892 1.892 1.892 0.008 1 0 "[ ]" 1
1201 1 116 LEU MD1 1 130 PHE QB 5.500 . 5.500 4.183 4.183 4.183 . 0 0 "[ ]" 1
1202 1 116 LEU MD1 1 130 PHE QD 2.800 . 2.800 2.682 2.682 2.682 . 0 0 "[ ]" 1
1203 1 116 LEU HG 1 130 PHE QD 5.500 . 5.500 4.360 4.360 4.360 . 0 0 "[ ]" 1
1204 1 116 LEU MD2 1 131 GLU H 5.500 . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
1205 1 117 HIS HA 1 118 GLU H 2.800 . 2.800 2.445 2.445 2.445 . 0 0 "[ ]" 1
1206 1 118 GLU HA 1 118 GLU QB 4.200 . 4.200 2.498 2.498 2.498 . 0 0 "[ ]" 1
1207 1 118 GLU H 1 119 GLN H 3.800 . 3.800 2.674 2.674 2.674 . 0 0 "[ ]" 1
1208 1 119 GLN HA 1 119 GLN QB 4.200 . 4.200 2.308 2.308 2.308 . 0 0 "[ ]" 1
1209 1 119 GLN HA 1 119 GLN QE 4.200 . 4.200 3.702 3.702 3.702 . 0 0 "[ ]" 1
1210 1 119 GLN H 1 119 GLN QB 2.800 . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
1211 1 119 GLN QE 1 119 GLN QG 3.800 . 3.800 2.274 2.274 2.274 . 0 0 "[ ]" 1
1212 1 119 GLN H 1 119 GLN QG 2.800 . 2.800 2.802 2.802 2.802 0.002 1 0 "[ ]" 1
1213 1 119 GLN QB 1 121 ILE MD 5.500 . 5.500 2.748 2.748 2.748 . 0 0 "[ ]" 1
1214 1 120 GLN QG 1 121 ILE H 5.500 . 5.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
1215 1 121 ILE HA 1 121 ILE MD 3.300 . 3.300 1.963 1.963 1.963 . 0 0 "[ ]" 1
1216 1 121 ILE H 1 121 ILE HB 2.800 . 2.800 2.840 2.840 2.840 0.040 1 0 "[ ]" 1
1217 1 121 ILE H 1 121 ILE QG 2.800 . 2.800 2.533 2.533 2.533 . 0 0 "[ ]" 1
1218 1 121 ILE HA 1 122 THR H 2.800 . 2.800 2.212 2.212 2.212 . 0 0 "[ ]" 1
1219 1 121 ILE HB 1 122 THR H 3.800 . 3.800 3.891 3.891 3.891 0.091 1 0 "[ ]" 1
1220 1 121 ILE MD 1 122 THR H 4.200 . 4.200 3.766 3.766 3.766 . 0 0 "[ ]" 1
1221 1 121 ILE MD 1 128 PHE QE 5.500 . 5.500 3.744 3.744 3.744 . 0 0 "[ ]" 1
1222 1 121 ILE MD 1 128 PHE HZ 5.500 . 5.500 5.505 5.505 5.505 0.005 1 0 "[ ]" 1
1223 1 122 THR HA 1 122 THR HB 2.800 . 2.800 2.704 2.704 2.704 . 0 0 "[ ]" 1
1224 1 122 THR HA 1 122 THR MG 2.800 . 2.800 2.139 2.139 2.139 . 0 0 "[ ]" 1
1225 1 122 THR H 1 122 THR MG 2.800 . 2.800 2.971 2.971 2.971 0.171 1 0 "[ ]" 1
1226 1 122 THR HA 1 123 THR H 2.800 . 2.800 2.584 2.584 2.584 . 0 0 "[ ]" 1
1227 1 122 THR HB 1 123 THR H 2.800 . 2.800 2.131 2.131 2.131 . 0 0 "[ ]" 1
1228 1 122 THR MG 1 123 THR H 2.800 . 2.800 2.943 2.943 2.943 0.143 1 0 "[ ]" 1
1229 1 122 THR H 1 123 THR H 5.500 . 5.500 4.538 4.538 4.538 . 0 0 "[ ]" 1
1230 1 122 THR HA 1 124 GLU H 5.500 . 5.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
1231 1 122 THR HB 1 124 GLU H 3.300 . 3.300 2.212 2.212 2.212 . 0 0 "[ ]" 1
1232 1 122 THR MG 1 124 GLU H 4.200 . 4.200 3.917 3.917 3.917 . 0 0 "[ ]" 1
1233 1 122 THR MG 1 126 GLN QE 3.300 . 3.300 2.905 2.905 2.905 . 0 0 "[ ]" 1
1234 1 122 THR H 1 126 GLN QE 5.500 . 5.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
1235 1 123 THR HA 1 123 THR HB 2.800 . 2.800 2.466 2.466 2.466 . 0 0 "[ ]" 1
1236 1 123 THR HA 1 123 THR MG 2.800 . 2.800 2.431 2.431 2.431 . 0 0 "[ ]" 1
1237 1 123 THR H 1 123 THR MG 2.800 . 2.800 2.233 2.233 2.233 . 0 0 "[ ]" 1
1238 1 123 THR HA 1 124 GLU H 3.800 . 3.800 3.270 3.270 3.270 . 0 0 "[ ]" 1
1239 1 124 GLU H 1 124 GLU QB 2.800 . 2.800 2.625 2.625 2.625 . 0 0 "[ ]" 1
1240 1 124 GLU HA 1 125 TRP H 5.500 . 5.500 2.744 2.744 2.744 . 0 0 "[ ]" 1
1241 1 124 GLU QB 1 125 TRP H 2.800 . 2.800 2.028 2.028 2.028 . 0 0 "[ ]" 1
1242 1 124 GLU H 1 125 TRP H 5.500 . 5.500 4.402 4.402 4.402 . 0 0 "[ ]" 1
1243 1 125 TRP H 1 125 TRP QB 2.800 . 2.800 2.474 2.474 2.474 . 0 0 "[ ]" 1
1244 1 125 TRP H 1 125 TRP HD1 3.300 . 3.300 2.767 2.767 2.767 . 0 0 "[ ]" 1
1245 1 125 TRP QB 1 126 GLN H 3.800 . 3.800 3.248 3.248 3.248 . 0 0 "[ ]" 1
1246 1 125 TRP HH2 1 158 TYR HB3 5.500 . 5.500 1.896 1.896 1.896 0.004 1 0 "[ ]" 1
1247 1 125 TRP HZ2 1 158 TYR HB3 5.500 . 5.500 3.802 3.802 3.802 . 0 0 "[ ]" 1
1248 1 125 TRP HH2 1 159 ILE HA 5.500 . 5.500 4.670 4.670 4.670 . 0 0 "[ ]" 1
1249 1 125 TRP HZ3 1 159 ILE HA 3.800 . 3.800 2.735 2.735 2.735 . 0 0 "[ ]" 1
1250 1 125 TRP HZ3 1 160 ASP H 5.500 . 5.500 3.104 3.104 3.104 . 0 0 "[ ]" 1
1251 1 126 GLN HA 1 126 GLN QB 4.200 . 4.200 2.542 2.542 2.542 . 0 0 "[ ]" 1
1252 1 126 GLN HA 1 126 GLN QG 4.200 . 4.200 2.155 2.155 2.155 . 0 0 "[ ]" 1
1253 1 126 GLN QB 1 126 GLN QE 5.500 . 5.500 3.511 3.511 3.511 . 0 0 "[ ]" 1
1254 1 126 GLN H 1 126 GLN QB 3.300 . 3.300 2.273 2.273 2.273 . 0 0 "[ ]" 1
1255 1 126 GLN QE 1 126 GLN QG 4.200 . 4.200 2.258 2.258 2.258 . 0 0 "[ ]" 1
1256 1 126 GLN HA 1 127 PRO QD 3.300 . 3.300 1.836 1.836 1.836 0.064 1 0 "[ ]" 1
1257 1 126 GLN HA 1 127 PRO QG 5.500 . 5.500 3.777 3.777 3.777 . 0 0 "[ ]" 1
1258 1 126 GLN QB 1 127 PRO QD 3.800 . 3.800 3.311 3.311 3.311 . 0 0 "[ ]" 1
1259 1 127 PRO QD 1 127 PRO QG 3.800 . 3.800 1.967 1.967 1.967 . 0 0 "[ ]" 1
1260 1 127 PRO QB 1 128 PHE H 5.500 . 5.500 3.716 3.716 3.716 . 0 0 "[ ]" 1
1261 1 128 PHE H 1 128 PHE HB2 2.800 . 2.800 2.367 2.367 2.367 . 0 0 "[ ]" 1
1262 1 128 PHE H 1 128 PHE HB3 3.300 . 3.300 3.407 3.407 3.407 0.107 1 0 "[ ]" 1
1263 1 128 PHE HA 1 129 THR H 2.800 . 2.800 2.239 2.239 2.239 . 0 0 "[ ]" 1
1264 1 128 PHE HB3 1 129 THR H 3.300 . 3.300 3.375 3.375 3.375 0.075 1 0 "[ ]" 1
1265 1 128 PHE H 1 129 THR H 5.500 . 5.500 4.438 4.438 4.438 . 0 0 "[ ]" 1
1266 1 129 THR HA 1 129 THR MG 3.300 . 3.300 3.183 3.183 3.183 . 0 0 "[ ]" 1
1267 1 129 THR H 1 129 THR HB 3.300 . 3.300 3.310 3.310 3.310 0.010 1 0 "[ ]" 1
1268 1 129 THR H 1 129 THR MG 2.800 . 2.800 2.344 2.344 2.344 . 0 0 "[ ]" 1
1269 1 129 THR HA 1 130 PHE H 2.800 . 2.800 2.463 2.463 2.463 . 0 0 "[ ]" 1
1270 1 129 THR HB 1 130 PHE H 3.300 . 3.300 3.569 3.569 3.569 0.269 1 0 "[ ]" 1
1271 1 129 THR MG 1 130 PHE HA 5.500 . 5.500 3.138 3.138 3.138 . 0 0 "[ ]" 1
1272 1 129 THR MG 1 130 PHE H 2.800 . 2.800 2.889 2.889 2.889 0.089 1 0 "[ ]" 1
1273 1 129 THR H 1 130 PHE H 5.500 . 5.500 4.371 4.371 4.371 . 0 0 "[ ]" 1
1274 1 130 PHE HA 1 130 PHE QB 3.300 . 3.300 2.196 2.196 2.196 . 0 0 "[ ]" 1
1275 1 130 PHE HA 1 130 PHE QD 5.500 . 5.500 3.683 3.683 3.683 . 0 0 "[ ]" 1
1276 1 130 PHE H 1 130 PHE QD 3.300 . 3.300 3.336 3.336 3.336 0.036 1 0 "[ ]" 1
1277 1 130 PHE HA 1 131 GLU QG 5.500 . 5.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
1278 1 130 PHE HA 1 131 GLU H 2.800 . 2.800 2.684 2.684 2.684 . 0 0 "[ ]" 1
1279 1 130 PHE QB 1 131 GLU H 2.800 . 2.800 2.119 2.119 2.119 . 0 0 "[ ]" 1
1280 1 130 PHE QD 1 131 GLU H 5.500 . 5.500 2.242 2.242 2.242 . 0 0 "[ ]" 1
1281 1 130 PHE H 1 131 GLU H 5.500 . 5.500 4.390 4.390 4.390 . 0 0 "[ ]" 1
1282 1 131 GLU HA 1 131 GLU QG 3.300 . 3.300 2.380 2.380 2.380 . 0 0 "[ ]" 1
1283 1 131 GLU H 1 131 GLU QB 2.800 . 2.800 2.686 2.686 2.686 . 0 0 "[ ]" 1
1284 1 131 GLU H 1 131 GLU QG 2.800 . 2.800 2.792 2.792 2.792 . 0 0 "[ ]" 1
1285 1 131 GLU HA 1 132 PHE QD 5.500 . 5.500 4.330 4.330 4.330 . 0 0 "[ ]" 1
1286 1 131 GLU HA 1 132 PHE H 2.800 . 2.800 2.301 2.301 2.301 . 0 0 "[ ]" 1
1287 1 132 PHE HA 1 132 PHE QD 4.200 . 4.200 2.930 2.930 2.930 . 0 0 "[ ]" 1
1288 1 132 PHE HA 1 132 PHE QB 3.800 . 3.800 2.539 2.539 2.539 . 0 0 "[ ]" 1
1289 1 132 PHE HA 1 133 THR HB 5.500 . 5.500 3.969 3.969 3.969 . 0 0 "[ ]" 1
1290 1 132 PHE HA 1 133 THR H 2.800 . 2.800 2.485 2.485 2.485 . 0 0 "[ ]" 1
1291 1 133 THR H 1 133 THR HB 2.800 . 2.800 2.800 2.800 2.800 . 1 0 "[ ]" 1
1292 1 133 THR H 1 133 THR MG 3.300 . 3.300 2.921 2.921 2.921 . 0 0 "[ ]" 1
1293 1 133 THR HB 1 134 VAL H 5.500 . 5.500 4.305 4.305 4.305 . 0 0 "[ ]" 1
1294 1 133 THR MG 1 134 VAL HA 5.500 . 5.500 4.015 4.015 4.015 . 0 0 "[ ]" 1
1295 1 133 THR MG 1 134 VAL H 2.800 . 2.800 2.818 2.818 2.818 0.018 1 0 "[ ]" 1
1296 1 133 THR MG 1 135 SER H 5.500 . 5.500 4.198 4.198 4.198 . 0 0 "[ ]" 1
1297 1 134 VAL HA 1 134 VAL MG1 3.300 . 3.300 2.307 2.307 2.307 . 0 0 "[ ]" 1
1298 1 134 VAL HA 1 134 VAL MG2 3.300 . 3.300 2.409 2.409 2.409 . 0 0 "[ ]" 1
1299 1 134 VAL H 1 134 VAL HB 2.800 . 2.800 2.825 2.825 2.825 0.025 1 0 "[ ]" 1
1300 1 134 VAL HA 1 135 SER H 2.800 . 2.800 2.209 2.209 2.209 . 0 0 "[ ]" 1
1301 1 134 VAL MG1 1 135 SER H 3.800 . 3.800 2.965 2.965 2.965 . 0 0 "[ ]" 1
1302 1 134 VAL HB 1 136 ASP H 5.500 . 5.500 4.921 4.921 4.921 . 0 0 "[ ]" 1
1303 1 134 VAL MG1 1 136 ASP H 2.800 . 2.800 2.740 2.740 2.740 . 0 0 "[ ]" 1
1304 1 134 VAL HA 1 138 GLU H 4.200 . 4.200 4.280 4.280 4.280 0.080 1 0 "[ ]" 1
1305 1 134 VAL MG1 1 138 GLU H 3.300 . 3.300 1.855 1.855 1.855 0.045 1 0 "[ ]" 1
1306 1 135 SER H 1 135 SER QB 3.800 . 3.800 2.066 2.066 2.066 . 0 0 "[ ]" 1
1307 1 135 SER H 1 136 ASP H 2.800 . 2.800 2.811 2.811 2.811 0.011 1 0 "[ ]" 1
1308 1 135 SER QB 1 138 GLU H 5.500 . 5.500 5.501 5.501 5.501 0.001 1 0 "[ ]" 1
1309 1 136 ASP HA 1 136 ASP QB 3.300 . 3.300 2.460 2.460 2.460 . 0 0 "[ ]" 1
1310 1 136 ASP HA 1 137 GLN H 3.300 . 3.300 3.453 3.453 3.453 0.153 1 0 "[ ]" 1
1311 1 136 ASP QB 1 137 GLN H 2.800 . 2.800 1.865 1.865 1.865 0.035 1 0 "[ ]" 1
1312 1 136 ASP QB 1 138 GLU H 5.500 . 5.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
1313 1 136 ASP H 1 138 GLU H 3.800 . 3.800 3.803 3.803 3.803 0.003 1 0 "[ ]" 1
1314 1 137 GLN H 1 137 GLN QB 4.200 . 4.200 2.968 2.968 2.968 . 0 0 "[ ]" 1
1315 1 137 GLN H 1 138 GLU H 2.800 . 2.800 2.614 2.614 2.614 . 0 0 "[ ]" 1
1316 1 138 GLU HA 1 138 GLU QG 5.500 . 5.500 3.058 3.058 3.058 . 0 0 "[ ]" 1
1317 1 138 GLU H 1 138 GLU QG 2.800 . 2.800 1.980 1.980 1.980 . 0 0 "[ ]" 1
1318 1 138 GLU HA 1 139 THR MG 4.200 . 4.200 4.207 4.207 4.207 0.007 1 0 "[ ]" 1
1319 1 138 GLU HA 1 139 THR H 2.800 . 2.800 2.191 2.191 2.191 . 0 0 "[ ]" 1
1320 1 138 GLU H 1 139 THR H 5.500 . 5.500 4.385 4.385 4.385 . 0 0 "[ ]" 1
1321 1 138 GLU HA 1 140 VAL H 3.300 . 3.300 3.321 3.321 3.321 0.021 1 0 "[ ]" 1
1322 1 139 THR H 1 139 THR MG 3.300 . 3.300 2.694 2.694 2.694 . 0 0 "[ ]" 1
1323 1 139 THR H 1 140 VAL H 2.800 . 2.800 2.428 2.428 2.428 . 0 0 "[ ]" 1
1324 1 140 VAL H 1 140 VAL MG1 3.800 . 3.800 3.807 3.807 3.807 0.007 1 0 "[ ]" 1
1325 1 140 VAL HA 1 141 ILE H 2.800 . 2.800 2.229 2.229 2.229 . 0 0 "[ ]" 1
1326 1 140 VAL HB 1 141 ILE H 5.500 . 5.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
1327 1 140 VAL MG2 1 141 ILE H 3.800 . 3.800 3.807 3.807 3.807 0.007 1 0 "[ ]" 1
1328 1 140 VAL MG1 1 141 ILE H 3.300 . 3.300 2.548 2.548 2.548 . 0 0 "[ ]" 1
1329 1 140 VAL H 1 141 ILE MG 5.500 . 5.500 3.514 3.514 3.514 . 0 0 "[ ]" 1
1330 1 141 ILE HB 1 141 ILE MD 3.300 . 3.300 2.031 2.031 2.031 . 0 0 "[ ]" 1
1331 1 141 ILE H 1 141 ILE MD 5.500 . 5.500 3.581 3.581 3.581 . 0 0 "[ ]" 1
1332 1 141 ILE MD 1 141 ILE MG 2.800 . 2.800 2.795 2.795 2.795 . 0 0 "[ ]" 1
1333 1 141 ILE H 1 141 ILE QG 5.500 . 5.500 1.877 1.877 1.877 0.023 1 0 "[ ]" 1
1334 1 141 ILE H 1 141 ILE MG 3.800 . 3.800 3.280 3.280 3.280 . 0 0 "[ ]" 1
1335 1 141 ILE HA 1 142 ARG H 3.300 . 3.300 2.494 2.494 2.494 . 0 0 "[ ]" 1
1336 1 141 ILE HB 1 142 ARG H 2.800 . 2.800 2.257 2.257 2.257 . 0 0 "[ ]" 1
1337 1 141 ILE MD 1 142 ARG H 3.300 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 1
1338 1 141 ILE MG 1 142 ARG H 3.300 . 3.300 3.360 3.360 3.360 0.060 1 0 "[ ]" 1
1339 1 142 ARG HA 1 142 ARG QB 3.800 . 3.800 2.198 2.198 2.198 . 0 0 "[ ]" 1
1340 1 142 ARG HA 1 142 ARG QG 4.200 . 4.200 3.292 3.292 3.292 . 0 0 "[ ]" 1
1341 1 142 ARG H 1 142 ARG QB 5.500 . 5.500 3.107 3.107 3.107 . 0 0 "[ ]" 1
1342 1 142 ARG HE 1 142 ARG QG 5.500 . 5.500 2.455 2.455 2.455 . 0 0 "[ ]" 1
1343 1 142 ARG H 1 142 ARG QG 3.300 . 3.300 2.315 2.315 2.315 . 0 0 "[ ]" 1
1344 1 142 ARG HA 1 143 ALA MB 5.500 . 5.500 4.020 4.020 4.020 . 0 0 "[ ]" 1
1345 1 142 ARG HA 1 143 ALA H 2.800 . 2.800 2.212 2.212 2.212 . 0 0 "[ ]" 1
1346 1 142 ARG QB 1 143 ALA H 3.800 . 3.800 3.165 3.165 3.165 . 0 0 "[ ]" 1
1347 1 143 ALA H 1 143 ALA MB 2.800 . 2.800 2.260 2.260 2.260 . 0 0 "[ ]" 1
1348 1 143 ALA HA 1 144 PRO QD 4.200 . 4.200 1.874 1.874 1.874 0.026 1 0 "[ ]" 1
1349 1 144 PRO HA 1 145 ILE H 2.800 . 2.800 2.221 2.221 2.221 . 0 0 "[ ]" 1
1350 1 144 PRO QB 1 145 ILE H 4.200 . 4.200 3.618 3.618 3.618 . 0 0 "[ ]" 1
1351 1 145 ILE H 1 145 ILE HB 2.800 . 2.800 2.801 2.801 2.801 0.001 1 0 "[ ]" 1
1352 1 145 ILE MD 1 145 ILE MG 2.800 . 2.800 2.049 2.049 2.049 . 0 0 "[ ]" 1
1353 1 145 ILE H 1 145 ILE MD 5.500 . 5.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
1354 1 145 ILE QG 1 145 ILE MG 3.800 . 3.800 2.191 2.191 2.191 . 0 0 "[ ]" 1
1355 1 145 ILE H 1 145 ILE QG 5.500 . 5.500 1.926 1.926 1.926 . 0 0 "[ ]" 1
1356 1 145 ILE H 1 145 ILE MG 4.200 . 4.200 3.779 3.779 3.779 . 0 0 "[ ]" 1
1357 1 145 ILE HB 1 146 HIS H 5.500 . 5.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
1358 1 145 ILE MG 1 146 HIS HE1 5.500 . 5.500 5.537 5.537 5.537 0.037 1 0 "[ ]" 1
1359 1 145 ILE MG 1 146 HIS H 3.300 . 3.300 2.853 2.853 2.853 . 0 0 "[ ]" 1
1360 1 145 ILE MG 1 157 ILE MG 5.500 . 5.500 5.094 5.094 5.094 . 0 0 "[ ]" 1
1361 1 145 ILE MG 1 159 ILE MD 4.200 . 4.200 2.939 2.939 2.939 . 0 0 "[ ]" 1
1362 1 145 ILE MG 1 159 ILE MG 3.300 . 3.300 2.716 2.716 2.716 . 0 0 "[ ]" 1
1363 1 145 ILE MG 1 162 LEU MD2 5.500 . 5.500 3.719 3.719 3.719 . 0 0 "[ ]" 1
1364 1 146 HIS H 1 146 HIS QB 3.300 . 3.300 2.617 2.617 2.617 . 0 0 "[ ]" 1
1365 1 146 HIS HA 1 147 PHE H 2.800 . 2.800 2.311 2.311 2.311 . 0 0 "[ ]" 1
1366 1 146 HIS QB 1 147 PHE H 5.500 . 5.500 2.580 2.580 2.580 . 0 0 "[ ]" 1
1367 1 146 HIS HD2 1 147 PHE H 5.500 . 5.500 4.894 4.894 4.894 . 0 0 "[ ]" 1
1368 1 146 HIS H 1 147 PHE H 5.500 . 5.500 4.607 4.607 4.607 . 0 0 "[ ]" 1
1369 1 146 HIS QB 1 148 GLY H 5.500 . 5.500 5.566 5.566 5.566 0.066 1 0 "[ ]" 1
1370 1 147 PHE HA 1 147 PHE QB 3.800 . 3.800 2.442 2.442 2.442 . 0 0 "[ ]" 1
1371 1 147 PHE HA 1 147 PHE QD 3.800 . 3.800 2.780 2.780 2.780 . 0 0 "[ ]" 1
1372 1 147 PHE H 1 147 PHE QB 3.800 . 3.800 2.840 2.840 2.840 . 0 0 "[ ]" 1
1373 1 147 PHE HA 1 148 GLY H 5.500 . 5.500 2.375 2.375 2.375 . 0 0 "[ ]" 1
1374 1 147 PHE HA 1 149 TYR QD 4.200 . 4.200 3.163 3.163 3.163 . 0 0 "[ ]" 1
1375 1 147 PHE HA 1 152 ASN QD 5.500 . 5.500 3.429 3.429 3.429 . 0 0 "[ ]" 1
1376 1 148 GLY H 1 148 GLY QA 2.800 . 2.800 2.360 2.360 2.360 . 0 0 "[ ]" 1
1377 1 148 GLY QA 1 149 TYR H 3.800 . 3.800 2.610 2.610 2.610 . 0 0 "[ ]" 1
1378 1 148 GLY H 1 149 TYR H 5.500 . 5.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
1379 1 149 TYR HA 1 149 TYR QB 3.800 . 3.800 2.356 2.356 2.356 . 0 0 "[ ]" 1
1380 1 149 TYR HA 1 149 TYR QD 3.800 . 3.800 2.412 2.412 2.412 . 0 0 "[ ]" 1
1381 1 149 TYR H 1 149 TYR QB 2.800 . 2.800 2.647 2.647 2.647 . 0 0 "[ ]" 1
1382 1 149 TYR H 1 149 TYR QD 5.500 . 5.500 3.283 3.283 3.283 . 0 0 "[ ]" 1
1383 1 149 TYR HA 1 150 ALA MB 3.800 . 3.800 3.981 3.981 3.981 0.181 1 0 "[ ]" 1
1384 1 149 TYR HA 1 150 ALA H 3.300 . 3.300 2.309 2.309 2.309 . 0 0 "[ ]" 1
1385 1 149 TYR QB 1 150 ALA H 4.200 . 4.200 2.626 2.626 2.626 . 0 0 "[ ]" 1
1386 1 149 TYR HA 1 151 ALA H 5.500 . 5.500 4.060 4.060 4.060 . 0 0 "[ ]" 1
1387 1 149 TYR QB 1 151 ALA MB 5.500 . 5.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
1388 1 149 TYR QB 1 152 ASN QD 5.500 . 5.500 4.461 4.461 4.461 . 0 0 "[ ]" 1
1389 1 149 TYR QB 1 152 ASN H 3.800 . 3.800 2.865 2.865 2.865 . 0 0 "[ ]" 1
1390 1 149 TYR QD 1 152 ASN QD 5.500 . 5.500 3.862 3.862 3.862 . 0 0 "[ ]" 1
1391 1 149 TYR H 1 152 ASN QD 4.200 . 4.200 4.184 4.184 4.184 . 0 0 "[ ]" 1
1392 1 150 ALA H 1 150 ALA MB 2.800 . 2.800 2.002 2.002 2.002 . 0 0 "[ ]" 1
1393 1 150 ALA HA 1 151 ALA H 5.500 . 5.500 3.506 3.506 3.506 . 0 0 "[ ]" 1
1394 1 150 ALA MB 1 151 ALA H 2.800 . 2.800 2.814 2.814 2.814 0.014 1 0 "[ ]" 1
1395 1 150 ALA H 1 151 ALA H 5.500 . 5.500 2.591 2.591 2.591 . 0 0 "[ ]" 1
1396 1 150 ALA HA 1 152 ASN H 5.500 . 5.500 3.595 3.595 3.595 . 0 0 "[ ]" 1
1397 1 150 ALA MB 1 152 ASN H 5.500 . 5.500 4.191 4.191 4.191 . 0 0 "[ ]" 1
1398 1 150 ALA HA 1 153 VAL MG2 2.800 . 2.800 2.078 2.078 2.078 . 0 0 "[ ]" 1
1399 1 150 ALA HA 1 153 VAL H 5.500 . 5.500 3.149 3.149 3.149 . 0 0 "[ ]" 1
1400 1 150 ALA MB 1 153 VAL H 5.500 . 5.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
1401 1 151 ALA H 1 151 ALA MB 2.800 . 2.800 2.225 2.225 2.225 . 0 0 "[ ]" 1
1402 1 151 ALA HA 1 152 ASN H 4.200 . 4.200 3.379 3.379 3.379 . 0 0 "[ ]" 1
1403 1 151 ALA MB 1 152 ASN H 3.300 . 3.300 3.039 3.039 3.039 . 0 0 "[ ]" 1
1404 1 151 ALA H 1 152 ASN H 3.300 . 3.300 2.515 2.515 2.515 . 0 0 "[ ]" 1
1405 1 151 ALA MB 1 153 VAL H 4.200 . 4.200 4.378 4.378 4.378 0.178 1 0 "[ ]" 1
1406 1 152 ASN QB 1 152 ASN QD 3.800 . 3.800 2.313 2.313 2.313 . 0 0 "[ ]" 1
1407 1 152 ASN H 1 152 ASN QB 2.800 . 2.800 2.478 2.478 2.478 . 0 0 "[ ]" 1
1408 1 152 ASN H 1 152 ASN QD 5.500 . 5.500 4.917 4.917 4.917 . 0 0 "[ ]" 1
1409 1 152 ASN QB 1 153 VAL H 5.500 . 5.500 3.510 3.510 3.510 . 0 0 "[ ]" 1
1410 1 152 ASN H 1 153 VAL H 2.800 . 2.800 2.081 2.081 2.081 . 0 0 "[ ]" 1
1411 1 152 ASN H 1 153 VAL MG2 3.800 . 3.800 3.572 3.572 3.572 . 0 0 "[ ]" 1
1412 1 152 ASN QB 1 157 ILE MD 3.800 . 3.800 2.703 2.703 2.703 . 0 0 "[ ]" 1
1413 1 152 ASN QD 1 157 ILE MD 4.200 . 4.200 1.885 1.885 1.885 0.015 1 0 "[ ]" 1
1414 1 153 VAL HA 1 153 VAL MG1 2.800 . 2.800 2.661 2.661 2.661 . 0 0 "[ ]" 1
1415 1 153 VAL HA 1 153 VAL MG2 2.800 . 2.800 2.184 2.184 2.184 . 0 0 "[ ]" 1
1416 1 153 VAL H 1 153 VAL HB 2.800 . 2.800 2.127 2.127 2.127 . 0 0 "[ ]" 1
1417 1 153 VAL H 1 153 VAL MG1 3.300 . 3.300 3.532 3.532 3.532 0.232 1 0 "[ ]" 1
1418 1 153 VAL H 1 153 VAL MG2 2.800 . 2.800 2.856 2.856 2.856 0.056 1 0 "[ ]" 1
1419 1 153 VAL HA 1 154 GLY QA 5.500 . 5.500 4.106 4.106 4.106 . 0 0 "[ ]" 1
1420 1 153 VAL HA 1 154 GLY H 2.800 . 2.800 2.398 2.398 2.398 . 0 0 "[ ]" 1
1421 1 153 VAL HB 1 154 GLY H 5.500 . 5.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
1422 1 153 VAL MG1 1 154 GLY H 2.800 . 2.800 1.893 1.893 1.893 0.007 1 0 "[ ]" 1
1423 1 153 VAL MG2 1 154 GLY H 3.800 . 3.800 3.258 3.258 3.258 . 0 0 "[ ]" 1
1424 1 153 VAL H 1 154 GLY H 5.500 . 5.500 4.628 4.628 4.628 . 0 0 "[ ]" 1
1425 1 153 VAL HA 1 155 ASN H 5.500 . 5.500 3.464 3.464 3.464 . 0 0 "[ ]" 1
1426 1 153 VAL MG1 1 155 ASN H 4.200 . 4.200 4.127 4.127 4.127 . 0 0 "[ ]" 1
1427 1 154 GLY QA 1 155 ASN H 5.500 . 5.500 2.792 2.792 2.792 . 0 0 "[ ]" 1
1428 1 154 GLY H 1 155 ASN H 2.800 . 2.800 2.771 2.771 2.771 . 0 0 "[ ]" 1
1429 1 155 ASN H 1 155 ASN QB 2.800 . 2.800 2.783 2.783 2.783 . 0 0 "[ ]" 1
1430 1 155 ASN H 1 155 ASN QD 5.500 . 5.500 5.054 5.054 5.054 . 0 0 "[ ]" 1
1431 1 155 ASN H 1 157 ILE MD 5.500 . 5.500 4.986 4.986 4.986 . 0 0 "[ ]" 1
1432 1 156 THR H 1 156 THR HB 2.800 . 2.800 2.492 2.492 2.492 . 0 0 "[ ]" 1
1433 1 156 THR HA 1 157 ILE H 2.800 . 2.800 2.218 2.218 2.218 . 0 0 "[ ]" 1
1434 1 156 THR HB 1 157 ILE H 5.500 . 5.500 4.253 4.253 4.253 . 0 0 "[ ]" 1
1435 1 156 THR MG 1 157 ILE H 2.800 . 2.800 2.678 2.678 2.678 . 0 0 "[ ]" 1
1436 1 156 THR HB 1 158 TYR QE 5.500 . 5.500 1.897 1.897 1.897 0.003 1 0 "[ ]" 1
1437 1 156 THR MG 1 158 TYR QD 5.500 . 5.500 2.984 2.984 2.984 . 0 0 "[ ]" 1
1438 1 156 THR MG 1 158 TYR QE 3.800 . 3.800 2.046 2.046 2.046 . 0 0 "[ ]" 1
1439 1 157 ILE H 1 157 ILE HB 2.800 . 2.800 2.807 2.807 2.807 0.007 1 0 "[ ]" 1
1440 1 157 ILE H 1 157 ILE MD 2.800 . 2.800 2.719 2.719 2.719 . 0 0 "[ ]" 1
1441 1 157 ILE H 1 157 ILE QG 3.300 . 3.300 2.139 2.139 2.139 . 0 0 "[ ]" 1
1442 1 157 ILE HA 1 158 TYR H 2.800 . 2.800 2.174 2.174 2.174 . 0 0 "[ ]" 1
1443 1 157 ILE HB 1 158 TYR H 5.500 . 5.500 4.109 4.109 4.109 . 0 0 "[ ]" 1
1444 1 157 ILE MD 1 158 TYR H 5.500 . 5.500 5.336 5.336 5.336 . 0 0 "[ ]" 1
1445 1 157 ILE MG 1 158 TYR H 2.800 . 2.800 2.762 2.762 2.762 . 0 0 "[ ]" 1
1446 1 157 ILE H 1 158 TYR H 5.500 . 5.500 4.386 4.386 4.386 . 0 0 "[ ]" 1
1447 1 158 TYR HA 1 158 TYR QD 5.500 . 5.500 3.169 3.169 3.169 . 0 0 "[ ]" 1
1448 1 158 TYR H 1 158 TYR HB2 3.300 . 3.300 2.535 2.535 2.535 . 0 0 "[ ]" 1
1449 1 158 TYR H 1 158 TYR HB3 3.800 . 3.800 3.710 3.710 3.710 . 0 0 "[ ]" 1
1450 1 158 TYR H 1 158 TYR QD 4.200 . 4.200 1.872 1.872 1.872 0.028 1 0 "[ ]" 1
1451 1 158 TYR HA 1 159 ILE H 2.800 . 2.800 2.222 2.222 2.222 . 0 0 "[ ]" 1
1452 1 158 TYR HB3 1 159 ILE H 3.800 . 3.800 3.378 3.378 3.378 . 0 0 "[ ]" 1
1453 1 159 ILE HA 1 159 ILE MG 2.800 . 2.800 2.027 2.027 2.027 . 0 0 "[ ]" 1
1454 1 159 ILE HB 1 159 ILE MD 3.300 . 3.300 2.307 2.307 2.307 . 0 0 "[ ]" 1
1455 1 159 ILE H 1 159 ILE HB 3.800 . 3.800 2.987 2.987 2.987 . 0 0 "[ ]" 1
1456 1 159 ILE H 1 159 ILE MD 4.200 . 4.200 3.582 3.582 3.582 . 0 0 "[ ]" 1
1457 1 159 ILE H 1 159 ILE QG 3.300 . 3.300 1.998 1.998 1.998 . 0 0 "[ ]" 1
1458 1 159 ILE H 1 159 ILE MG 3.800 . 3.800 3.873 3.873 3.873 0.073 1 0 "[ ]" 1
1459 1 159 ILE HA 1 160 ASP H 2.800 . 2.800 2.237 2.237 2.237 . 0 0 "[ ]" 1
1460 1 159 ILE HB 1 160 ASP H 3.800 . 3.800 3.699 3.699 3.699 . 0 0 "[ ]" 1
1461 1 159 ILE MD 1 160 ASP H 5.500 . 5.500 5.095 5.095 5.095 . 0 0 "[ ]" 1
1462 1 159 ILE MG 1 160 ASP HA 5.500 . 5.500 3.974 3.974 3.974 . 0 0 "[ ]" 1
1463 1 159 ILE MG 1 160 ASP H 3.300 . 3.300 2.617 2.617 2.617 . 0 0 "[ ]" 1
1464 1 160 ASP HA 1 160 ASP QB 4.200 . 4.200 2.300 2.300 2.300 . 0 0 "[ ]" 1
1465 1 160 ASP H 1 160 ASP QB 3.300 . 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 1
1466 1 160 ASP HA 1 161 GLY QA 5.500 . 5.500 4.003 4.003 4.003 . 0 0 "[ ]" 1
1467 1 160 ASP HA 1 161 GLY H 3.300 . 3.300 2.237 2.237 2.237 . 0 0 "[ ]" 1
1468 1 160 ASP QB 1 161 GLY H 5.500 . 5.500 3.691 3.691 3.691 . 0 0 "[ ]" 1
1469 1 160 ASP HA 1 162 LEU H 5.500 . 5.500 3.378 3.378 3.378 . 0 0 "[ ]" 1
1470 1 161 GLY QA 1 162 LEU H 4.200 . 4.200 2.948 2.948 2.948 . 0 0 "[ ]" 1
1471 1 161 GLY H 1 162 LEU H 3.800 . 3.800 2.114 2.114 2.114 . 0 0 "[ ]" 1
1472 1 162 LEU HA 1 162 LEU MD1 3.300 . 3.300 1.840 1.840 1.840 0.060 1 0 "[ ]" 1
1473 1 162 LEU H 1 162 LEU QB 2.800 . 2.800 2.266 2.266 2.266 . 0 0 "[ ]" 1
1474 1 162 LEU QB 1 162 LEU MD1 5.500 . 5.500 2.579 2.579 2.579 . 0 0 "[ ]" 1
1475 1 162 LEU QB 1 162 LEU MD2 3.800 . 3.800 2.046 2.046 2.046 . 0 0 "[ ]" 1
1476 1 162 LEU H 1 162 LEU MD1 4.200 . 4.200 3.966 3.966 3.966 . 0 0 "[ ]" 1
1477 1 162 LEU H 1 162 LEU MD2 4.200 . 4.200 4.203 4.203 4.203 0.003 1 0 "[ ]" 1
1478 1 162 LEU HA 1 163 ALA H 2.800 . 2.800 2.229 2.229 2.229 . 0 0 "[ ]" 1
1479 1 162 LEU QB 1 163 ALA H 4.200 . 4.200 3.990 3.990 3.990 . 0 0 "[ ]" 1
1480 1 162 LEU MD1 1 163 ALA H 2.800 . 2.800 2.244 2.244 2.244 . 0 0 "[ ]" 1
1481 1 162 LEU MD2 1 163 ALA H 5.500 . 5.500 4.846 4.846 4.846 . 0 0 "[ ]" 1
1482 1 162 LEU H 1 163 ALA H 5.500 . 5.500 4.300 4.300 4.300 . 0 0 "[ ]" 1
1483 1 162 LEU MD1 1 164 ILE H 5.500 . 5.500 4.505 4.505 4.505 . 0 0 "[ ]" 1
1484 1 163 ALA H 1 163 ALA MB 2.800 . 2.800 2.533 2.533 2.533 . 0 0 "[ ]" 1
1485 1 163 ALA MB 1 164 ILE H 2.800 . 2.800 2.813 2.813 2.813 0.013 1 0 "[ ]" 1
1486 1 164 ILE HA 1 164 ILE MG 3.300 . 3.300 2.444 2.444 2.444 . 0 0 "[ ]" 1
1487 1 164 ILE H 1 164 ILE HB 2.800 . 2.800 2.559 2.559 2.559 . 0 0 "[ ]" 1
1488 1 164 ILE HA 1 165 ALA MB 5.500 . 5.500 4.064 4.064 4.064 . 0 0 "[ ]" 1
1489 1 164 ILE HA 1 165 ALA H 2.800 . 2.800 2.212 2.212 2.212 . 0 0 "[ ]" 1
1490 1 164 ILE HB 1 165 ALA H 5.500 . 5.500 4.490 4.490 4.490 . 0 0 "[ ]" 1
1491 1 164 ILE MG 1 165 ALA HA 5.500 . 5.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
1492 1 164 ILE MG 1 165 ALA H 3.300 . 3.300 2.927 2.927 2.927 . 0 0 "[ ]" 1
1493 1 164 ILE MG 1 165 ALA MB 5.500 . 5.500 4.117 4.117 4.117 . 0 0 "[ ]" 1
1494 1 164 ILE H 1 165 ALA MB 5.500 . 5.500 3.909 3.909 3.909 . 0 0 "[ ]" 1
1495 1 164 ILE H 1 165 ALA H 5.500 . 5.500 4.123 4.123 4.123 . 0 0 "[ ]" 1
1496 1 165 ALA H 1 165 ALA MB 2.800 . 2.800 2.750 2.750 2.750 . 0 0 "[ ]" 1
1497 1 165 ALA HA 1 166 SER H 2.800 . 2.800 2.316 2.316 2.316 . 0 0 "[ ]" 1
1498 1 165 ALA MB 1 166 SER H 2.800 . 2.800 2.817 2.817 2.817 0.017 1 0 "[ ]" 1
1499 1 166 SER HA 1 166 SER QB 3.300 . 3.300 2.191 2.191 2.191 . 0 0 "[ ]" 1
1500 1 166 SER H 1 166 SER QB 3.300 . 3.300 2.478 2.478 2.478 . 0 0 "[ ]" 1
1501 1 42 PHE QE 1 59 VAL MG2 5.500 . 5.500 2.224 2.224 2.224 . 0 0 "[ ]" 1
1502 1 42 PHE QE 1 57 LEU MD2 5.500 . 5.500 3.180 3.180 3.180 . 0 0 "[ ]" 1
1503 1 30 LEU MD1 1 42 PHE QE 5.500 . 5.500 2.607 2.607 2.607 . 0 0 "[ ]" 1
1504 1 21 LEU MD1 1 42 PHE QE 5.500 . 5.500 4.916 4.916 4.916 . 0 0 "[ ]" 1
1505 1 42 PHE QE 1 71 ILE MG 5.500 . 5.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
1506 1 21 LEU MD2 1 42 PHE QE 5.500 . 5.500 2.431 2.431 2.431 . 0 0 "[ ]" 1
1507 1 32 VAL MG2 1 42 PHE QE 5.500 . 5.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
1508 1 110 PHE QD 1 142 ARG HD3 5.500 . 5.500 5.511 5.511 5.511 0.011 1 0 "[ ]" 1
1509 1 110 PHE QD 1 111 GLN H 5.500 . 5.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
1510 1 108 GLN HA 1 110 PHE QE 5.500 . 5.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
1511 1 109 SER HA 1 110 PHE QE 5.500 . 5.500 4.448 4.448 4.448 . 0 0 "[ ]" 1
1512 1 69 TRP HD1 1 70 ASP H 5.500 . 5.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
1513 1 11 GLU CD 1 160 ASP CG 6.000 2.400 6.000 5.715 5.715 5.715 . 0 0 "[ ]" 1
1514 1 28 TRP HZ2 1 73 ALA MB 5.500 . 5.500 4.628 4.628 4.628 . 0 0 "[ ]" 1
1515 1 28 TRP HZ2 1 162 LEU QB 5.500 . 5.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
1516 1 28 TRP HZ2 1 101 VAL MG1 5.500 . 5.500 5.564 5.564 5.564 0.064 1 0 "[ ]" 1
1517 1 28 TRP HZ2 1 162 LEU MD2 5.500 . 5.500 2.297 2.297 2.297 . 0 0 "[ ]" 1
1518 1 68 PRO HD3 1 69 TRP HE3 5.500 . 5.500 4.936 4.936 4.936 . 0 0 "[ ]" 1
1519 1 69 TRP HA 1 69 TRP HE3 5.500 . 5.500 4.393 4.393 4.393 . 0 0 "[ ]" 1
1520 1 69 TRP H 1 69 TRP HE3 4.200 . 4.200 4.086 4.086 4.086 . 0 0 "[ ]" 1
1521 1 69 TRP HA 1 69 TRP HD1 5.500 . 5.500 4.244 4.244 4.244 . 0 0 "[ ]" 1
1522 1 68 PRO HG2 1 69 TRP HE3 5.500 . 5.500 2.479 2.479 2.479 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 14
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 2.010
_Distance_constraint_stats_list.Viol_max 0.837
_Distance_constraint_stats_list.Viol_rms 0.2935
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1436
_Distance_constraint_stats_list.Viol_average_violations_only 0.5025
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 ILE 0.000 0.000 . 0 "[ ]"
1 7 ASN 0.837 0.837 1 1 [+]
1 10 PHE 0.000 0.000 . 0 "[ ]"
1 11 GLU 0.837 0.837 1 1 [+]
1 13 THR 0.672 0.672 1 1 [+]
1 21 LEU 0.000 0.000 . 0 "[ ]"
1 25 VAL 0.672 0.672 1 1 [+]
1 27 GLY 0.837 0.837 1 1 [+]
1 32 VAL 0.000 0.000 . 0 "[ ]"
1 36 VAL 0.000 0.000 . 0 "[ ]"
1 41 VAL 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.672 0.672 1 1 [+]
1 57 LEU 0.000 0.000 . 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 64 VAL 0.000 0.000 . 0 "[ ]"
1 69 TRP 0.040 0.040 1 0 "[ ]"
1 71 ILE 0.040 0.040 1 0 "[ ]"
1 97 ASP 0.461 0.461 1 0 "[ ]"
1 101 VAL 0.000 0.000 . 0 "[ ]"
1 107 ASN 0.000 0.000 . 0 "[ ]"
1 111 GLN 0.000 0.000 . 0 "[ ]"
1 113 TYR 0.000 0.000 . 0 "[ ]"
1 148 GLY 0.040 0.040 1 0 "[ ]"
1 152 ASN 0.000 0.000 . 0 "[ ]"
1 155 ASN 0.461 0.461 1 0 "[ ]"
1 157 ILE 0.000 0.000 . 0 "[ ]"
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 6 ILE MD 1 10 PHE H 5.500 . 5.500 5.046 5.046 5.046 . 0 0 "[ ]" 2
2 1 7 ASN H 1 11 GLU H 4.200 . 4.200 5.037 5.037 5.037 0.837 1 1 [+] 2
3 1 13 THR H 1 25 VAL QG 3.300 . 3.300 3.972 3.972 3.972 0.672 1 1 [+] 2
4 1 21 LEU MD1 1 32 VAL H 5.500 . 5.500 3.344 3.344 3.344 . 0 0 "[ ]" 2
5 1 41 VAL H 1 59 VAL HA 5.500 . 5.500 4.192 4.192 4.192 . 0 0 "[ ]" 2
6 1 44 VAL QG 1 57 LEU H 5.500 . 5.500 4.345 4.345 4.345 . 0 0 "[ ]" 2
7 1 69 TRP HA 1 71 ILE H 3.300 . 3.300 3.340 3.340 3.340 0.040 1 0 "[ ]" 2
8 1 107 ASN HD22 1 111 GLN QB 2.800 . 2.800 2.407 2.407 2.407 . 0 0 "[ ]" 2
9 1 107 ASN HD22 1 111 GLN QG 3.300 . 3.300 2.228 2.228 2.228 . 0 0 "[ ]" 2
10 1 107 ASN HD21 1 111 GLN QB 2.800 . 2.800 1.990 1.990 1.990 . 0 0 "[ ]" 2
11 1 107 ASN HB3 1 107 ASN HD21 2.800 . 2.800 2.674 2.674 2.674 . 0 0 "[ ]" 2
12 1 64 VAL MG2 1 152 ASN HD21 4.200 . 4.200 2.477 2.477 2.477 . 0 0 "[ ]" 2
13 1 97 ASP HB2 1 155 ASN HD21 2.800 . 2.800 2.366 2.366 2.366 . 0 0 "[ ]" 2
14 1 97 ASP HB2 1 155 ASN HD22 2.800 . 2.800 3.261 3.261 3.261 0.461 1 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 130
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 0.424
_Distance_constraint_stats_list.Viol_max 0.086
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0223
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ALA 0.000 0.000 . 0 "[ ]"
1 16 GLY 0.004 0.004 1 0 "[ ]"
1 18 VAL 0.000 0.000 . 0 "[ ]"
1 25 VAL 0.002 0.002 1 0 "[ ]"
1 27 GLY 0.000 0.000 . 0 "[ ]"
1 28 TRP 0.002 0.002 1 0 "[ ]"
1 29 ASP 0.000 0.000 . 0 "[ ]"
1 31 ASN 0.003 0.003 1 0 "[ ]"
1 33 GLY 0.022 0.022 1 0 "[ ]"
1 36 VAL 0.000 0.000 . 0 "[ ]"
1 41 VAL 0.017 0.017 1 0 "[ ]"
1 42 PHE 0.000 0.000 . 0 "[ ]"
1 43 GLU 0.000 0.000 . 0 "[ ]"
1 44 VAL 0.004 0.004 1 0 "[ ]"
1 45 LEU 0.000 0.000 . 0 "[ ]"
1 47 THR 0.006 0.006 1 0 "[ ]"
1 54 ASN 0.006 0.006 1 0 "[ ]"
1 56 VAL 0.000 0.000 . 0 "[ ]"
1 57 LEU 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.000 0.000 . 0 "[ ]"
1 59 VAL 0.000 0.000 . 0 "[ ]"
1 60 THR 0.017 0.017 1 0 "[ ]"
1 61 VAL 0.029 0.029 1 0 "[ ]"
1 67 ASN 0.005 0.005 1 0 "[ ]"
1 69 TRP 0.005 0.005 1 0 "[ ]"
1 70 ASP 0.022 0.022 1 0 "[ ]"
1 71 ILE 0.001 0.001 1 0 "[ ]"
1 72 GLU 0.003 0.003 1 0 "[ ]"
1 73 ALA 0.000 0.000 . 0 "[ ]"
1 74 THR 0.000 0.000 . 0 "[ ]"
1 75 ALA 0.036 0.036 1 0 "[ ]"
1 76 PHE 0.000 0.000 . 0 "[ ]"
1 78 VAL 0.020 0.012 1 0 "[ ]"
1 79 ASN 0.000 0.000 . 0 "[ ]"
1 86 TYR 0.000 0.000 . 0 "[ ]"
1 87 THR 0.000 0.000 . 0 "[ ]"
1 88 TYR 0.000 0.000 . 0 "[ ]"
1 89 THR 0.000 0.000 . 0 "[ ]"
1 90 ILE 0.000 0.000 . 0 "[ ]"
1 91 TRP 0.000 0.000 . 0 "[ ]"
1 92 ALA 0.019 0.019 1 0 "[ ]"
1 93 ARG 0.000 0.000 . 0 "[ ]"
1 94 ALA 0.000 0.000 . 0 "[ ]"
1 95 GLU 0.000 0.000 . 0 "[ ]"
1 98 GLY 0.000 0.000 . 0 "[ ]"
1 100 VAL 0.086 0.086 1 0 "[ ]"
1 101 VAL 0.107 0.075 1 0 "[ ]"
1 102 SER 0.051 0.051 1 0 "[ ]"
1 103 PHE 0.000 0.000 . 0 "[ ]"
1 104 THR 0.000 0.000 . 0 "[ ]"
1 105 VAL 0.017 0.011 1 0 "[ ]"
1 106 GLY 0.000 0.000 . 0 "[ ]"
1 107 ASN 0.000 0.000 . 0 "[ ]"
1 111 GLN 0.000 0.000 . 0 "[ ]"
1 113 TYR 0.011 0.011 1 0 "[ ]"
1 114 GLY 0.006 0.006 1 0 "[ ]"
1 116 LEU 0.000 0.000 . 0 "[ ]"
1 118 GLU 0.032 0.032 1 0 "[ ]"
1 119 GLN 0.075 0.075 1 0 "[ ]"
1 121 ILE 0.000 0.000 . 0 "[ ]"
1 122 THR 0.000 0.000 . 0 "[ ]"
1 126 GLN 0.019 0.019 1 0 "[ ]"
1 128 PHE 0.000 0.000 . 0 "[ ]"
1 130 PHE 0.000 0.000 . 0 "[ ]"
1 132 PHE 0.000 0.000 . 0 "[ ]"
1 141 ILE 0.020 0.012 1 0 "[ ]"
1 142 ARG 0.000 0.000 . 0 "[ ]"
1 143 ALA 0.036 0.036 1 0 "[ ]"
1 144 PRO 0.000 0.000 . 0 "[ ]"
1 145 ILE 0.000 0.000 . 0 "[ ]"
1 146 HIS 0.051 0.051 1 0 "[ ]"
1 147 PHE 0.001 0.001 1 0 "[ ]"
1 151 ALA 0.086 0.086 1 0 "[ ]"
1 155 ASN 0.029 0.029 1 0 "[ ]"
1 156 THR 0.000 0.000 . 0 "[ ]"
1 157 ILE 0.000 0.000 . 0 "[ ]"
1 158 TYR 0.000 0.000 . 0 "[ ]"
1 159 ILE 0.000 0.000 . 0 "[ ]"
1 160 ASP 0.000 0.000 . 0 "[ ]"
1 163 ALA 0.000 0.000 . 0 "[ ]"
1 164 ILE 0.000 0.000 . 0 "[ ]"
1 165 ALA 0.000 0.000 . 0 "[ ]"
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 16 GLY H 1 44 VAL O 2.300 . 2.500 2.504 2.504 2.504 0.004 1 0 "[ ]" 3
2 1 16 GLY N 1 44 VAL O 3.300 2.500 3.500 3.458 3.458 3.458 . 0 0 "[ ]" 3
3 1 25 VAL O 1 28 TRP H 2.300 . 2.500 2.502 2.502 2.502 0.002 1 0 "[ ]" 3
4 1 25 VAL O 1 28 TRP N 3.300 2.500 3.500 3.263 3.263 3.263 . 0 0 "[ ]" 3
5 1 29 ASP H 1 74 THR O 2.300 . 2.500 1.932 1.932 1.932 . 0 0 "[ ]" 3
6 1 29 ASP N 1 74 THR O 3.300 2.500 3.500 2.858 2.858 2.858 . 0 0 "[ ]" 3
7 1 31 ASN H 1 72 GLU O 2.300 . 2.500 2.086 2.086 2.086 . 0 0 "[ ]" 3
8 1 31 ASN N 1 72 GLU O 3.300 2.500 3.500 2.917 2.917 2.917 . 0 0 "[ ]" 3
9 1 41 VAL H 1 60 THR O 2.300 . 2.500 2.517 2.517 2.517 0.017 1 0 "[ ]" 3
10 1 41 VAL N 1 60 THR O 3.300 2.500 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 3
11 1 43 GLU H 1 58 ALA O 2.300 . 2.500 2.446 2.446 2.446 . 0 0 "[ ]" 3
12 1 43 GLU N 1 58 ALA O 3.300 2.500 3.500 3.282 3.282 3.282 . 0 0 "[ ]" 3
13 1 16 GLY O 1 44 VAL H 2.300 . 2.500 2.413 2.413 2.413 . 0 0 "[ ]" 3
14 1 16 GLY O 1 44 VAL N 3.300 2.500 3.500 3.391 3.391 3.391 . 0 0 "[ ]" 3
15 1 45 LEU H 1 56 VAL O 2.300 . 2.500 2.086 2.086 2.086 . 0 0 "[ ]" 3
16 1 45 LEU N 1 56 VAL O 3.300 2.500 3.500 3.006 3.006 3.006 . 0 0 "[ ]" 3
17 1 47 THR H 1 54 ASN O 2.300 . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 3
18 1 47 THR N 1 54 ASN O 3.300 2.500 3.500 3.181 3.181 3.181 . 0 0 "[ ]" 3
19 1 45 LEU O 1 56 VAL H 2.300 . 2.500 2.151 2.151 2.151 . 0 0 "[ ]" 3
20 1 45 LEU O 1 56 VAL N 3.300 2.500 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 3
21 1 57 LEU H 1 159 ILE O 2.300 . 2.500 2.061 2.061 2.061 . 0 0 "[ ]" 3
22 1 57 LEU N 1 159 ILE O 3.300 2.500 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 3
23 1 43 GLU O 1 58 ALA H 2.300 . 2.500 2.056 2.056 2.056 . 0 0 "[ ]" 3
24 1 43 GLU O 1 58 ALA N 3.300 2.500 3.500 2.732 2.732 2.732 . 0 0 "[ ]" 3
25 1 59 VAL H 1 157 ILE O 2.300 . 2.500 1.993 1.993 1.993 . 0 0 "[ ]" 3
26 1 59 VAL N 1 157 ILE O 3.300 2.500 3.500 2.920 2.920 2.920 . 0 0 "[ ]" 3
27 1 41 VAL O 1 60 THR H 2.300 . 2.500 2.166 2.166 2.166 . 0 0 "[ ]" 3
28 1 41 VAL O 1 60 THR N 3.300 2.500 3.500 3.050 3.050 3.050 . 0 0 "[ ]" 3
29 1 61 VAL H 1 155 ASN O 2.300 . 2.500 2.529 2.529 2.529 0.029 1 0 "[ ]" 3
30 1 61 VAL N 1 155 ASN O 3.300 2.500 3.500 3.289 3.289 3.289 . 0 0 "[ ]" 3
31 1 71 ILE H 1 147 PHE O 2.300 . 2.500 2.094 2.094 2.094 . 0 0 "[ ]" 3
32 1 71 ILE N 1 147 PHE O 3.300 2.500 3.500 2.761 2.761 2.761 . 0 0 "[ ]" 3
33 1 31 ASN O 1 72 GLU H 2.300 . 2.500 2.503 2.503 2.503 0.003 1 0 "[ ]" 3
34 1 31 ASN O 1 72 GLU N 3.300 2.500 3.500 3.323 3.323 3.323 . 0 0 "[ ]" 3
35 1 73 ALA H 1 145 ILE O 2.300 . 2.500 1.996 1.996 1.996 . 0 0 "[ ]" 3
36 1 73 ALA N 1 145 ILE O 3.300 2.500 3.500 2.737 2.737 2.737 . 0 0 "[ ]" 3
37 1 29 ASP O 1 74 THR H 2.300 . 2.500 2.008 2.008 2.008 . 0 0 "[ ]" 3
38 1 29 ASP O 1 74 THR N 3.300 2.500 3.500 2.807 2.807 2.807 . 0 0 "[ ]" 3
39 1 75 ALA H 1 143 ALA O 2.300 . 2.500 2.045 2.045 2.045 . 0 0 "[ ]" 3
40 1 75 ALA N 1 143 ALA O 3.300 2.500 3.500 2.906 2.906 2.906 . 0 0 "[ ]" 3
41 1 27 GLY O 1 76 PHE H 2.300 . 2.500 2.170 2.170 2.170 . 0 0 "[ ]" 3
42 1 27 GLY O 1 76 PHE N 3.300 2.500 3.500 3.055 3.055 3.055 . 0 0 "[ ]" 3
43 1 78 VAL H 1 141 ILE O 2.300 . 2.500 2.508 2.508 2.508 0.008 1 0 "[ ]" 3
44 1 78 VAL N 1 141 ILE O 3.300 2.500 3.500 3.020 3.020 3.020 . 0 0 "[ ]" 3
45 1 86 TYR H 1 132 PHE O 2.300 . 2.500 2.107 2.107 2.107 . 0 0 "[ ]" 3
46 1 86 TYR N 1 132 PHE O 3.300 2.500 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 3
47 1 87 THR H 1 165 ALA O 2.300 . 2.500 2.062 2.062 2.062 . 0 0 "[ ]" 3
48 1 87 THR N 1 165 ALA O 3.300 2.500 3.500 2.708 2.708 2.708 . 0 0 "[ ]" 3
49 1 88 TYR H 1 130 PHE O 2.300 . 2.500 2.238 2.238 2.238 . 0 0 "[ ]" 3
50 1 88 TYR N 1 130 PHE O 3.300 2.500 3.500 3.196 3.196 3.196 . 0 0 "[ ]" 3
51 1 89 THR H 1 163 ALA O 2.300 . 2.500 2.252 2.252 2.252 . 0 0 "[ ]" 3
52 1 89 THR N 1 163 ALA O 3.300 2.500 3.500 3.206 3.206 3.206 . 0 0 "[ ]" 3
53 1 90 ILE H 1 128 PHE O 2.300 . 2.500 1.957 1.957 1.957 . 0 0 "[ ]" 3
54 1 90 ILE N 1 128 PHE O 3.300 2.500 3.500 2.853 2.853 2.853 . 0 0 "[ ]" 3
55 1 92 ALA H 1 126 GLN O 2.300 . 2.500 2.519 2.519 2.519 0.019 1 0 "[ ]" 3
56 1 92 ALA N 1 126 GLN O 3.300 2.500 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 3
57 1 93 ARG H 1 158 TYR O 2.300 . 2.500 2.039 2.039 2.039 . 0 0 "[ ]" 3
58 1 93 ARG N 1 158 TYR O 3.300 2.500 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 3
59 1 94 ALA H 1 122 THR O 2.300 . 2.500 2.435 2.435 2.435 . 0 0 "[ ]" 3
60 1 94 ALA N 1 122 THR O 3.300 2.500 3.500 3.405 3.405 3.405 . 0 0 "[ ]" 3
61 1 95 GLU H 1 156 THR O 2.300 . 2.500 2.053 2.053 2.053 . 0 0 "[ ]" 3
62 1 95 GLU N 1 156 THR O 3.300 2.500 3.500 2.901 2.901 2.901 . 0 0 "[ ]" 3
63 1 100 VAL H 1 151 ALA O 2.300 . 2.500 2.586 2.586 2.586 0.086 1 0 "[ ]" 3
64 1 100 VAL N 1 151 ALA O 3.300 2.500 3.500 3.261 3.261 3.261 . 0 0 "[ ]" 3
65 1 101 VAL H 1 119 GLN O 2.300 . 2.500 2.575 2.575 2.575 0.075 1 0 "[ ]" 3
66 1 101 VAL N 1 119 GLN O 3.300 2.500 3.500 3.453 3.453 3.453 . 0 0 "[ ]" 3
67 1 102 SER H 1 146 HIS O 2.300 . 2.500 2.551 2.551 2.551 0.051 1 0 "[ ]" 3
68 1 102 SER N 1 146 HIS O 3.300 2.500 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 3
69 1 103 PHE H 1 116 LEU O 2.300 . 2.500 2.225 2.225 2.225 . 0 0 "[ ]" 3
70 1 103 PHE N 1 116 LEU O 3.300 2.500 3.500 3.165 3.165 3.165 . 0 0 "[ ]" 3
71 1 104 THR H 1 144 PRO O 2.300 . 2.500 2.463 2.463 2.463 . 0 0 "[ ]" 3
72 1 104 THR N 1 144 PRO O 3.300 2.500 3.500 3.390 3.390 3.390 . 0 0 "[ ]" 3
73 1 105 VAL H 1 114 GLY O 2.300 . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 3
74 1 105 VAL N 1 114 GLY O 3.300 2.500 3.500 3.433 3.433 3.433 . 0 0 "[ ]" 3
75 1 106 GLY H 1 142 ARG O 2.300 . 2.500 2.305 2.305 2.305 . 0 0 "[ ]" 3
76 1 106 GLY N 1 142 ARG O 3.300 2.500 3.500 3.062 3.062 3.062 . 0 0 "[ ]" 3
77 1 103 PHE O 1 116 LEU H 2.300 . 2.500 2.386 2.386 2.386 . 0 0 "[ ]" 3
78 1 103 PHE O 1 116 LEU N 3.300 2.500 3.500 3.239 3.239 3.239 . 0 0 "[ ]" 3
79 1 101 VAL O 1 118 GLU H 2.300 . 2.500 2.532 2.532 2.532 0.032 1 0 "[ ]" 3
80 1 101 VAL O 1 118 GLU N 3.300 2.500 3.500 3.339 3.339 3.339 . 0 0 "[ ]" 3
81 1 92 ALA O 1 126 GLN H 2.300 . 2.500 2.039 2.039 2.039 . 0 0 "[ ]" 3
82 1 92 ALA O 1 126 GLN N 3.300 2.500 3.500 2.896 2.896 2.896 . 0 0 "[ ]" 3
83 1 90 ILE O 1 128 PHE H 2.300 . 2.500 2.015 2.015 2.015 . 0 0 "[ ]" 3
84 1 90 ILE O 1 128 PHE N 3.300 2.500 3.500 2.982 2.982 2.982 . 0 0 "[ ]" 3
85 1 88 TYR O 1 130 PHE H 2.300 . 2.500 2.121 2.121 2.121 . 0 0 "[ ]" 3
86 1 88 TYR O 1 130 PHE N 3.300 2.500 3.500 2.927 2.927 2.927 . 0 0 "[ ]" 3
87 1 78 VAL O 1 141 ILE H 2.300 . 2.500 2.512 2.512 2.512 0.012 1 0 "[ ]" 3
88 1 78 VAL O 1 141 ILE N 3.300 2.500 3.500 3.349 3.349 3.349 . 0 0 "[ ]" 3
89 1 106 GLY O 1 142 ARG H 2.300 . 2.500 2.096 2.096 2.096 . 0 0 "[ ]" 3
90 1 106 GLY O 1 142 ARG N 3.300 2.500 3.500 3.030 3.030 3.030 . 0 0 "[ ]" 3
91 1 75 ALA O 1 143 ALA H 2.300 . 2.500 2.536 2.536 2.536 0.036 1 0 "[ ]" 3
92 1 75 ALA O 1 143 ALA N 3.300 2.500 3.500 3.222 3.222 3.222 . 0 0 "[ ]" 3
93 1 73 ALA O 1 145 ILE H 2.300 . 2.500 2.091 2.091 2.091 . 0 0 "[ ]" 3
94 1 73 ALA O 1 145 ILE N 3.300 2.500 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 3
95 1 102 SER O 1 146 HIS H 2.300 . 2.500 2.053 2.053 2.053 . 0 0 "[ ]" 3
96 1 102 SER O 1 146 HIS N 3.300 2.500 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 3
97 1 71 ILE O 1 147 PHE H 2.300 . 2.500 2.047 2.047 2.047 . 0 0 "[ ]" 3
98 1 71 ILE O 1 147 PHE N 3.300 2.500 3.500 2.499 2.499 2.499 0.001 1 0 "[ ]" 3
99 1 61 VAL O 1 155 ASN H 2.300 . 2.500 2.348 2.348 2.348 . 0 0 "[ ]" 3
100 1 61 VAL O 1 155 ASN N 3.300 2.500 3.500 3.275 3.275 3.275 . 0 0 "[ ]" 3
101 1 59 VAL O 1 157 ILE H 2.300 . 2.500 2.017 2.017 2.017 . 0 0 "[ ]" 3
102 1 59 VAL O 1 157 ILE N 3.300 2.500 3.500 2.706 2.706 2.706 . 0 0 "[ ]" 3
103 1 93 ARG O 1 158 TYR H 2.300 . 2.500 1.900 1.900 1.900 . 0 0 "[ ]" 3
104 1 93 ARG O 1 158 TYR N 3.300 2.500 3.500 2.738 2.738 2.738 . 0 0 "[ ]" 3
105 1 57 LEU O 1 159 ILE H 2.300 . 2.500 2.278 2.278 2.278 . 0 0 "[ ]" 3
106 1 57 LEU O 1 159 ILE N 3.300 2.500 3.500 3.195 3.195 3.195 . 0 0 "[ ]" 3
107 1 91 TRP O 1 160 ASP H 2.300 . 2.500 2.102 2.102 2.102 . 0 0 "[ ]" 3
108 1 91 TRP O 1 160 ASP N 3.300 2.500 3.500 3.017 3.017 3.017 . 0 0 "[ ]" 3
109 1 89 THR O 1 163 ALA H 2.300 . 2.500 2.008 2.008 2.008 . 0 0 "[ ]" 3
110 1 89 THR O 1 163 ALA N 3.300 2.500 3.500 2.935 2.935 2.935 . 0 0 "[ ]" 3
111 1 4 ALA H 1 164 ILE O 2.300 . 2.500 2.187 2.187 2.187 . 0 0 "[ ]" 3
112 1 4 ALA N 1 164 ILE O 3.300 2.500 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 3
113 1 18 VAL H 1 42 PHE O 2.300 . 2.500 2.007 2.007 2.007 . 0 0 "[ ]" 3
114 1 18 VAL N 1 42 PHE O 3.300 2.500 3.500 2.928 2.928 2.928 . 0 0 "[ ]" 3
115 1 33 GLY H 1 70 ASP O 2.300 . 2.500 2.522 2.522 2.522 0.022 1 0 "[ ]" 3
116 1 33 GLY N 1 70 ASP O 3.300 2.500 3.500 3.444 3.444 3.444 . 0 0 "[ ]" 3
117 1 33 GLY O 1 36 VAL H 2.300 . 2.500 2.103 2.103 2.103 . 0 0 "[ ]" 3
118 1 33 GLY O 1 36 VAL N 3.300 2.500 3.500 2.970 2.970 2.970 . 0 0 "[ ]" 3
119 1 67 ASN O 1 69 TRP H 2.300 . 2.500 2.505 2.505 2.505 0.005 1 0 "[ ]" 3
120 1 67 ASN O 1 69 TRP N 3.300 2.500 3.500 3.076 3.076 3.076 . 0 0 "[ ]" 3
121 1 4 ALA O 1 79 ASN H 2.300 . 2.500 2.343 2.343 2.343 . 0 0 "[ ]" 3
122 1 4 ALA O 1 79 ASN N 3.300 2.500 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 3
123 1 98 GLY H 1 121 ILE O 2.300 . 2.500 2.383 2.383 2.383 . 0 0 "[ ]" 3
124 1 98 GLY N 1 121 ILE O 3.300 2.500 3.500 3.191 3.191 3.191 . 0 0 "[ ]" 3
125 1 107 ASN H 1 111 GLN O 2.300 . 2.500 2.249 2.249 2.249 . 0 0 "[ ]" 3
126 1 107 ASN N 1 111 GLN O 3.300 2.500 3.500 3.123 3.123 3.123 . 0 0 "[ ]" 3
127 1 105 VAL O 1 113 TYR H 2.300 . 2.500 2.511 2.511 2.511 0.011 1 0 "[ ]" 3
128 1 105 VAL O 1 113 TYR N 3.300 2.500 3.500 3.270 3.270 3.270 . 0 0 "[ ]" 3
129 1 87 THR O 1 165 ALA H 2.300 . 2.500 2.215 2.215 2.215 . 0 0 "[ ]" 3
130 1 87 THR O 1 165 ALA N 3.300 2.500 3.500 3.017 3.017 3.017 . 0 0 "[ ]" 3
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