NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431843 |
2jr0   |
15312 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jr0
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 1311
_Distance_constraint_stats_list.Viol_count 1090
_Distance_constraint_stats_list.Viol_total 2659.065
_Distance_constraint_stats_list.Viol_max 1.315
_Distance_constraint_stats_list.Viol_rms 0.0417
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.1220
_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 3 TYR 5.037 0.257 5 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.255 0.046 16 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 2.680 0.154 13 0 "[ . 1 . 2]"
1 12 PHE 2.575 0.154 13 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 6.108 0.288 18 0 "[ . 1 . 2]"
1 15 LEU 0.265 0.103 3 0 "[ . 1 . 2]"
1 16 TYR 1.863 0.164 12 0 "[ . 1 . 2]"
1 17 ARG 2.622 0.127 17 0 "[ . 1 . 2]"
1 18 TRP 0.029 0.023 6 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.377 0.052 5 0 "[ . 1 . 2]"
1 21 ARG 0.377 0.052 5 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLU 0.025 0.023 6 0 "[ . 1 . 2]"
1 24 ASN 0.002 0.002 9 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.111 0.033 9 0 "[ . 1 . 2]"
1 27 GLU 0.608 0.106 16 0 "[ . 1 . 2]"
1 28 LEU 1.502 0.110 17 0 "[ . 1 . 2]"
1 29 PHE 1.217 0.110 17 0 "[ . 1 . 2]"
1 30 LYS 0.922 0.106 16 0 "[ . 1 . 2]"
1 31 GLU 0.642 0.044 18 0 "[ . 1 . 2]"
1 32 VAL 1.353 0.066 20 0 "[ . 1 . 2]"
1 33 VAL 6.155 0.231 17 0 "[ . 1 . 2]"
1 34 GLU 0.832 0.057 20 0 "[ . 1 . 2]"
1 35 GLU 1.209 0.066 20 0 "[ . 1 . 2]"
1 36 LYS 0.678 0.064 2 0 "[ . 1 . 2]"
1 37 ASN 2.858 0.215 3 0 "[ . 1 . 2]"
1 38 ILE 6.334 0.289 19 0 "[ . 1 . 2]"
1 39 LYS 0.255 0.046 16 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LYS 0.641 0.055 8 0 "[ . 1 . 2]"
1 42 ASP 1.077 0.055 8 0 "[ . 1 . 2]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 TYR 1.409 0.107 15 0 "[ . 1 . 2]"
1 45 GLU 4.677 0.176 5 0 "[ . 1 . 2]"
1 46 TYR 7.183 0.332 17 0 "[ . 1 . 2]"
1 47 ALA 4.098 0.213 12 0 "[ . 1 . 2]"
1 48 LYS 5.196 0.213 12 0 "[ . 1 . 2]"
1 49 LYS 1.128 0.066 1 0 "[ . 1 . 2]"
1 50 LEU 0.887 0.248 15 0 "[ . 1 . 2]"
1 51 VAL 0.354 0.089 17 0 "[ . 1 . 2]"
1 52 ASP 4.152 0.248 15 0 "[ . 1 . 2]"
1 53 THR 8.503 0.185 9 0 "[ . 1 . 2]"
1 54 ALA 5.238 0.176 6 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 HIS 0.022 0.022 16 0 "[ . 1 . 2]"
1 58 ILE 0.897 0.256 19 0 "[ . 1 . 2]"
1 59 GLU 2.033 0.256 19 0 "[ . 1 . 2]"
1 60 GLU 1.157 0.093 1 0 "[ . 1 . 2]"
1 61 ILE 3.871 0.220 5 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.017 0.017 1 0 "[ . 1 . 2]"
1 64 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.368 0.072 9 0 "[ . 1 . 2]"
1 66 GLU 0.199 0.063 16 0 "[ . 1 . 2]"
1 67 LYS 3.644 0.127 17 0 "[ . 1 . 2]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.506 0.072 9 0 "[ . 1 . 2]"
1 70 LYS 2.203 0.127 17 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 0.284 0.239 3 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.225 0.214 4 0 "[ . 1 . 2]"
1 78 GLY 0.214 0.214 4 0 "[ . 1 . 2]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.137 0.063 16 0 "[ . 1 . 2]"
1 83 ASN 0.057 0.057 5 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 2.399 0.135 12 0 "[ . 1 . 2]"
1 86 ARG 1.493 0.129 1 0 "[ . 1 . 2]"
1 87 LEU 3.829 0.249 8 0 "[ . 1 . 2]"
1 88 GLY 0.887 0.248 15 0 "[ . 1 . 2]"
1 89 VAL 10.855 0.360 10 0 "[ . 1 . 2]"
1 90 ALA 9.091 0.360 10 0 "[ . 1 . 2]"
1 91 GLU 3.085 0.140 5 0 "[ . 1 . 2]"
1 92 LEU 1.849 0.248 15 0 "[ . 1 . 2]"
1 93 ILE 24.953 1.315 17 20 [****************+*-*]
1 94 PHE 5.530 0.211 18 0 "[ . 1 . 2]"
1 95 LEU 5.831 0.227 2 0 "[ . 1 . 2]"
1 96 LYS 0.202 0.058 1 0 "[ . 1 . 2]"
1 97 SER 0.338 0.058 1 0 "[ . 1 . 2]"
1 98 LYS 0.055 0.032 1 0 "[ . 1 . 2]"
1 99 GLU 0.023 0.013 11 0 "[ . 1 . 2]"
1 100 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ARG 0.021 0.021 6 0 "[ . 1 . 2]"
1 103 VAL 0.004 0.004 15 0 "[ . 1 . 2]"
1 104 PHE 1.370 0.243 2 0 "[ . 1 . 2]"
1 105 ILE 5.118 0.243 2 0 "[ . 1 . 2]"
1 106 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ILE 0.047 0.036 6 0 "[ . 1 . 2]"
1 108 VAL 0.183 0.042 7 0 "[ . 1 . 2]"
1 109 ASP 0.039 0.039 3 0 "[ . 1 . 2]"
1 110 LEU 0.969 0.421 11 0 "[ . 1 . 2]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 3.616 0.186 11 0 "[ . 1 . 2]"
1 113 LYS 3.858 0.186 11 0 "[ . 1 . 2]"
1 114 TYR 5.113 0.421 11 0 "[ . 1 . 2]"
1 115 ALA 0.551 0.038 20 0 "[ . 1 . 2]"
1 116 ASP 0.013 0.007 4 0 "[ . 1 . 2]"
1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 LYS 0.143 0.038 16 0 "[ . 1 . 2]"
1 119 ALA 0.067 0.025 13 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LYS 0.084 0.038 16 0 "[ . 1 . 2]"
1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 VAL 0.009 0.009 10 0 "[ . 1 . 2]"
1 124 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 GLY 0.012 0.012 3 0 "[ . 1 . 2]"
1 126 VAL 0.759 0.135 12 0 "[ . 1 . 2]"
1 127 LEU 1.040 0.114 1 0 "[ . 1 . 2]"
1 128 SER 0.138 0.031 20 0 "[ . 1 . 2]"
1 129 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ILE 2.598 0.179 12 0 "[ . 1 . 2]"
1 131 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LYS 2.234 0.127 17 0 "[ . 1 . 2]"
1 133 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 TYR 28.290 1.315 17 20 [****************+*-*]
1 135 ILE 5.628 0.212 12 0 "[ . 1 . 2]"
1 136 THR 0.002 0.002 15 0 "[ . 1 . 2]"
1 141 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
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 1 126 VAL HA 1 126 VAL QG 2.500 . 3.200 2.180 2.113 2.258 . 0 0 "[ . 1 . 2]" 1
2 1 16 TYR QE 1 79 TYR QD 3.900 . 6.000 3.236 2.327 4.266 . 0 0 "[ . 1 . 2]" 1
3 1 41 LYS QB 1 41 LYS QG 2.250 . 2.700 2.093 2.046 2.109 . 0 0 "[ . 1 . 2]" 1
4 1 87 LEU HA 1 88 GLY H 3.400 . 5.000 3.128 3.074 3.206 . 0 0 "[ . 1 . 2]" 1
5 1 40 ASN HA 1 43 ALA MB 4.150 . 6.500 4.325 4.181 4.392 . 0 0 "[ . 1 . 2]" 1
6 1 40 ASN HA 1 40 ASN QB 2.250 . 2.700 2.439 2.378 2.519 . 0 0 "[ . 1 . 2]" 1
7 1 40 ASN QB 1 43 ALA MB 2.800 . 3.200 2.148 2.019 2.238 . 0 0 "[ . 1 . 2]" 1
8 1 41 LYS HA 1 41 LYS QG 2.550 . 3.300 2.372 2.285 2.627 . 0 0 "[ . 1 . 2]" 1
9 1 41 LYS HA 1 41 LYS QB 2.250 . 2.700 2.398 2.347 2.435 . 0 0 "[ . 1 . 2]" 1
10 1 98 LYS HA 1 98 LYS QB 2.550 . 2.700 2.427 2.286 2.535 . 0 0 "[ . 1 . 2]" 1
11 1 21 ARG HA 1 21 ARG QB 2.250 . 2.700 2.131 2.107 2.143 . 0 0 "[ . 1 . 2]" 1
12 1 42 ASP HA 1 42 ASP QB 2.550 . 3.300 2.302 2.296 2.306 . 0 0 "[ . 1 . 2]" 1
13 1 3 TYR QE 1 43 ALA HA 3.400 . 5.000 3.307 3.019 3.624 . 0 0 "[ . 1 . 2]" 1
14 1 7 ALA MB 1 46 TYR QE 3.650 . 5.500 3.385 2.967 3.581 . 0 0 "[ . 1 . 2]" 1
15 1 3 TYR QE 1 43 ALA MB 4.150 . 6.500 4.165 3.839 4.384 . 0 0 "[ . 1 . 2]" 1
16 1 41 LYS HA 1 43 ALA MB 3.650 . 5.500 4.454 4.407 4.520 . 0 0 "[ . 1 . 2]" 1
17 1 7 ALA MB 1 43 ALA MB 3.050 . 4.700 2.401 2.323 2.552 . 0 0 "[ . 1 . 2]" 1
18 1 38 ILE HB 1 43 ALA MB 4.150 . 6.500 4.833 4.765 4.955 . 0 0 "[ . 1 . 2]" 1
19 1 38 ILE MG 1 43 ALA MB 2.750 . 3.700 2.378 2.334 2.462 . 0 0 "[ . 1 . 2]" 1
20 1 38 ILE MD 1 43 ALA MB 4.400 . 6.000 3.862 3.775 3.935 . 0 0 "[ . 1 . 2]" 1
21 1 44 TYR QB 1 44 TYR QD 2.550 . 3.300 2.186 2.146 2.204 . 0 0 "[ . 1 . 2]" 1
22 1 38 ILE MG 1 44 TYR QB 3.650 . 5.500 2.140 2.013 2.222 . 0 0 "[ . 1 . 2]" 1
23 1 33 VAL QG 1 44 TYR QD 3.650 . 5.500 2.409 2.160 2.626 . 0 0 "[ . 1 . 2]" 1
24 1 46 TYR QE 1 50 LEU MD2 3.650 . 5.500 2.547 2.052 3.272 . 0 0 "[ . 1 . 2]" 1
25 1 134 TYR QD 1 135 ILE MG 4.150 . 5.500 3.112 2.346 3.862 . 0 0 "[ . 1 . 2]" 1
26 1 44 TYR QE 1 45 GLU HA 3.400 . 5.000 4.335 3.867 4.564 . 0 0 "[ . 1 . 2]" 1
27 1 44 TYR QB 1 44 TYR QE 3.900 . 6.000 3.980 3.959 3.988 . 0 0 "[ . 1 . 2]" 1
28 1 33 VAL HB 1 44 TYR QE 3.900 . 6.000 4.698 4.571 4.860 . 0 0 "[ . 1 . 2]" 1
29 1 127 LEU HA 1 127 LEU QD . . 3.800 2.257 1.905 3.079 . 0 0 "[ . 1 . 2]" 1
30 1 33 VAL MG2 1 44 TYR QE 2.800 . 3.800 2.568 2.082 2.877 . 0 0 "[ . 1 . 2]" 1
31 1 42 ASP HA 1 45 GLU HB2 3.400 . 5.000 3.429 2.961 3.711 . 0 0 "[ . 1 . 2]" 1
32 1 117 GLU HA 1 117 GLU QB 2.250 . 2.700 2.259 2.165 2.402 . 0 0 "[ . 1 . 2]" 1
33 1 87 LEU HA 1 87 LEU QD 2.800 . 3.800 2.701 2.127 3.090 . 0 0 "[ . 1 . 2]" 1
34 1 60 GLU HA 1 60 GLU QG 2.250 . 2.700 2.343 2.275 2.365 . 0 0 "[ . 1 . 2]" 1
35 1 45 GLU HA 1 45 GLU QG 2.550 . 3.300 2.308 2.228 2.514 . 0 0 "[ . 1 . 2]" 1
36 1 104 PHE QE 1 128 SER HA 3.400 . 5.000 4.264 3.616 4.760 . 0 0 "[ . 1 . 2]" 1
37 1 110 LEU HA 1 110 LEU QB 2.550 . 3.300 2.167 2.149 2.171 . 0 0 "[ . 1 . 2]" 1
38 1 46 TYR HA 1 46 TYR QB 2.550 . 3.300 2.375 2.327 2.415 . 0 0 "[ . 1 . 2]" 1
39 1 7 ALA MB 1 46 TYR QB 3.650 . 3.800 2.366 2.169 2.678 . 0 0 "[ . 1 . 2]" 1
40 1 46 TYR HA 1 46 TYR QD 3.400 . 5.000 2.299 1.987 2.619 . 0 0 "[ . 1 . 2]" 1
41 1 7 ALA MB 1 46 TYR QD 3.650 . 3.800 2.017 1.916 2.057 . 0 0 "[ . 1 . 2]" 1
42 1 46 TYR QD 1 47 ALA MB 3.400 . 5.000 3.491 2.989 3.715 . 0 0 "[ . 1 . 2]" 1
43 1 131 TYR QD 1 135 ILE MD 4.150 . 6.500 3.256 2.664 3.716 . 0 0 "[ . 1 . 2]" 1
44 1 114 TYR HA 1 114 TYR QE 3.400 . 5.000 4.442 4.346 4.539 . 0 0 "[ . 1 . 2]" 1
45 1 55 VAL MG1 1 55 VAL MG2 2.750 . 3.700 2.077 2.048 2.089 . 0 0 "[ . 1 . 2]" 1
46 1 113 LYS QE 1 114 TYR QE 3.900 . 6.000 3.508 2.444 4.758 . 0 0 "[ . 1 . 2]" 1
47 1 80 VAL QG 1 114 TYR QD 3.650 . 5.500 4.062 3.763 4.185 . 0 0 "[ . 1 . 2]" 1
48 1 134 TYR HA 1 134 TYR QD 2.250 . 2.700 2.408 2.119 2.795 0.095 9 0 "[ . 1 . 2]" 1
49 1 7 ALA MB 1 47 ALA HA 3.650 . 3.800 2.363 2.272 2.572 . 0 0 "[ . 1 . 2]" 1
50 1 87 LEU HA 1 87 LEU QD 3.400 . 5.000 2.617 2.112 2.899 . 0 0 "[ . 1 . 2]" 1
51 1 44 TYR QD 1 47 ALA MB 3.650 . 5.500 3.204 2.954 3.913 . 0 0 "[ . 1 . 2]" 1
52 1 83 ASN HA 1 86 ARG QD 3.900 . 6.000 2.596 2.216 3.680 . 0 0 "[ . 1 . 2]" 1
53 1 48 LYS HA 1 51 VAL H 3.400 . 5.000 3.510 3.411 3.627 . 0 0 "[ . 1 . 2]" 1
54 1 48 LYS HA 1 48 LYS QB 2.550 . 3.300 2.401 2.292 2.492 . 0 0 "[ . 1 . 2]" 1
55 1 48 LYS HA 1 48 LYS QG 2.550 . 3.300 2.365 2.234 3.130 . 0 0 "[ . 1 . 2]" 1
56 1 48 LYS HA 1 51 VAL QG 3.650 . 5.500 2.771 2.134 3.372 . 0 0 "[ . 1 . 2]" 1
57 1 48 LYS HB2 1 48 LYS HD2 2.550 . 3.300 2.628 2.203 3.076 . 0 0 "[ . 1 . 2]" 1
58 1 16 TYR QE 1 20 LEU QD 3.650 . 5.500 2.286 1.926 3.562 . 0 0 "[ . 1 . 2]" 1
59 1 48 LYS QD 1 48 LYS QG 2.250 . 2.700 2.065 2.014 2.110 . 0 0 "[ . 1 . 2]" 1
60 1 48 LYS HA 1 48 LYS QD 3.400 . 5.000 3.881 2.164 4.164 . 0 0 "[ . 1 . 2]" 1
61 1 87 LEU HA 1 87 LEU HG 2.550 . 3.300 3.466 2.910 3.549 0.249 8 0 "[ . 1 . 2]" 1
62 1 49 LYS HA 1 49 LYS QG 3.400 . 5.000 2.310 2.197 2.402 . 0 0 "[ . 1 . 2]" 1
63 1 54 ALA MB 1 86 ARG HB3 3.650 . 5.500 2.827 2.176 3.355 . 0 0 "[ . 1 . 2]" 1
64 1 50 LEU HA 1 53 THR HB 3.900 . 5.000 3.743 3.330 4.098 . 0 0 "[ . 1 . 2]" 1
65 1 50 LEU HA 1 50 LEU QD 2.800 . 3.800 1.948 1.931 1.963 . 0 0 "[ . 1 . 2]" 1
66 1 112 LYS HA 1 112 LYS QG 2.550 . 3.300 2.343 2.165 2.461 . 0 0 "[ . 1 . 2]" 1
67 1 50 LEU MD1 1 50 LEU MD2 2.750 . 3.700 1.990 1.981 2.006 . 0 0 "[ . 1 . 2]" 1
68 1 109 ASP QB 1 110 LEU QD 4.150 . 6.500 4.851 2.628 5.005 . 0 0 "[ . 1 . 2]" 1
69 1 110 LEU H 1 110 LEU QD 3.650 . 5.500 3.358 1.379 3.539 0.421 11 0 "[ . 1 . 2]" 1
70 1 110 LEU H 1 110 LEU QD 4.150 . 6.500 3.070 1.379 3.300 0.421 11 0 "[ . 1 . 2]" 1
71 1 51 VAL H 1 51 VAL HA 2.550 . 3.300 2.836 2.824 2.855 . 0 0 "[ . 1 . 2]" 1
72 1 102 ARG HA 1 102 ARG QD 2.550 . 3.300 2.655 2.286 3.321 0.021 6 0 "[ . 1 . 2]" 1
73 1 103 VAL HA 1 103 VAL QG 2.500 . 3.200 2.091 2.076 2.108 . 0 0 "[ . 1 . 2]" 1
74 1 51 VAL HA 1 51 VAL QG 2.800 . 3.200 2.201 2.065 2.421 . 0 0 "[ . 1 . 2]" 1
75 1 51 VAL HA 1 54 ALA MB 2.800 . 3.800 2.794 2.583 3.016 . 0 0 "[ . 1 . 2]" 1
76 1 51 VAL HA 1 51 VAL HB 2.550 . 3.300 2.682 2.335 3.021 . 0 0 "[ . 1 . 2]" 1
77 1 50 LEU QB 1 51 VAL HA 3.400 . 5.000 3.844 3.800 3.913 . 0 0 "[ . 1 . 2]" 1
78 1 14 VAL HA 1 14 VAL QG 2.800 . 3.200 2.170 2.038 2.426 . 0 0 "[ . 1 . 2]" 1
79 1 14 VAL MG2 1 29 PHE HB2 4.150 . 6.500 3.101 2.413 3.990 . 0 0 "[ . 1 . 2]" 1
80 1 14 VAL MG1 1 14 VAL MG2 2.750 . 3.700 2.043 1.975 2.077 . 0 0 "[ . 1 . 2]" 1
81 1 108 VAL HA 1 108 VAL QG 2.500 . 3.200 2.059 2.004 2.113 . 0 0 "[ . 1 . 2]" 1
82 1 89 VAL MG2 1 94 PHE QE 2.800 . 3.800 2.173 1.932 2.923 . 0 0 "[ . 1 . 2]" 1
83 1 89 VAL QG 1 94 PHE QD 3.650 . 5.500 3.263 2.855 3.636 . 0 0 "[ . 1 . 2]" 1
84 1 29 PHE H 1 33 VAL MG2 3.650 . 5.900 5.162 5.124 5.202 . 0 0 "[ . 1 . 2]" 1
85 1 51 VAL H 1 51 VAL QG 2.800 . 3.800 2.239 1.711 2.910 0.089 17 0 "[ . 1 . 2]" 1
86 1 11 ALA HA 1 51 VAL MG2 4.150 . 6.500 2.992 2.039 4.203 . 0 0 "[ . 1 . 2]" 1
87 1 51 VAL QG 1 54 ALA MB 3.050 . 4.300 2.635 2.510 2.769 . 0 0 "[ . 1 . 2]" 1
88 1 16 TYR QR 1 79 TYR QD 3.400 . 5.000 3.142 2.295 4.080 . 0 0 "[ . 1 . 2]" 1
89 1 52 ASP HA 1 52 ASP QB 2.250 . 2.700 2.376 2.164 2.428 . 0 0 "[ . 1 . 2]" 1
90 1 102 ARG HA 1 102 ARG QB 2.550 . 3.300 2.507 2.417 2.548 . 0 0 "[ . 1 . 2]" 1
91 1 102 ARG HA 1 105 ILE MG 3.650 . 5.500 3.810 3.436 4.176 . 0 0 "[ . 1 . 2]" 1
92 1 51 VAL QG 1 52 ASP HA 3.650 . 5.500 3.044 2.825 3.422 . 0 0 "[ . 1 . 2]" 1
93 1 90 ALA HA 1 94 PHE QD 2.550 . 3.300 2.848 1.997 3.276 . 0 0 "[ . 1 . 2]" 1
94 1 52 ASP H 1 52 ASP QB 2.550 . 3.300 2.327 2.098 2.513 . 0 0 "[ . 1 . 2]" 1
95 1 53 THR HA 1 53 THR MG 2.500 . 3.200 2.414 2.319 2.488 . 0 0 "[ . 1 . 2]" 1
96 1 53 THR HA 1 56 ARG QB 3.400 . 5.000 2.608 2.337 3.070 . 0 0 "[ . 1 . 2]" 1
97 1 53 THR MG 1 94 PHE H 4.150 . 6.500 4.226 4.102 4.419 . 0 0 "[ . 1 . 2]" 1
98 1 53 THR MG 1 94 PHE HB3 2.800 . 3.800 2.503 2.060 3.024 . 0 0 "[ . 1 . 2]" 1
99 1 53 THR MG 1 95 LEU QB 4.150 . 6.500 2.558 1.930 3.729 . 0 0 "[ . 1 . 2]" 1
100 1 53 THR MG 1 90 ALA MB 2.750 . 3.700 2.094 1.954 2.202 . 0 0 "[ . 1 . 2]" 1
101 1 54 ALA H 1 54 ALA HA 2.550 . 3.300 2.868 2.859 2.876 . 0 0 "[ . 1 . 2]" 1
102 1 54 ALA HA 1 90 ALA MB 2.800 . 3.800 2.222 2.126 2.432 . 0 0 "[ . 1 . 2]" 1
103 1 54 ALA HA 1 61 ILE MG 3.650 . 5.500 4.490 4.437 4.560 . 0 0 "[ . 1 . 2]" 1
104 1 54 ALA H 1 54 ALA MB 2.500 . 3.200 2.157 2.010 2.195 . 0 0 "[ . 1 . 2]" 1
105 1 54 ALA MB 1 55 VAL H 2.800 . 3.800 2.475 2.391 2.602 . 0 0 "[ . 1 . 2]" 1
106 1 52 ASP HA 1 54 ALA MB 3.650 . 5.500 3.555 3.491 3.605 . 0 0 "[ . 1 . 2]" 1
107 1 54 ALA MB 1 55 VAL QG 3.900 . 6.000 2.533 2.419 2.718 . 0 0 "[ . 1 . 2]" 1
108 1 15 LEU QD 1 54 ALA MB 2.750 . 3.700 1.937 1.809 2.078 . 0 0 "[ . 1 . 2]" 1
109 1 54 ALA MB 1 90 ALA MB 2.750 . 3.700 2.392 2.221 2.471 . 0 0 "[ . 1 . 2]" 1
110 1 55 VAL H 1 55 VAL HA 2.550 . 3.300 2.874 2.858 2.881 . 0 0 "[ . 1 . 2]" 1
111 1 20 LEU MD1 1 79 TYR QE 3.650 . 5.500 3.359 2.258 4.202 . 0 0 "[ . 1 . 2]" 1
112 1 55 VAL HA 1 56 ARG HB2 3.900 . 6.000 5.601 5.366 5.839 . 0 0 "[ . 1 . 2]" 1
113 1 55 VAL HA 1 55 VAL QG 2.800 . 3.200 2.080 2.021 2.118 . 0 0 "[ . 1 . 2]" 1
114 1 55 VAL H 1 55 VAL HB 2.550 . 3.300 2.534 2.476 2.575 . 0 0 "[ . 1 . 2]" 1
115 1 55 VAL QG 1 56 ARG HA 3.650 . 5.500 3.968 3.896 4.054 . 0 0 "[ . 1 . 2]" 1
116 1 50 LEU QD 1 87 LEU QB 4.150 . 6.500 3.596 2.062 4.317 . 0 0 "[ . 1 . 2]" 1
117 1 99 GLU HA 1 100 PRO QD 2.550 . 3.300 2.224 2.136 2.324 . 0 0 "[ . 1 . 2]" 1
118 1 20 LEU QD 1 79 TYR QE 4.150 . 6.500 3.118 2.252 4.091 . 0 0 "[ . 1 . 2]" 1
119 1 25 PRO QG 1 55 VAL MG2 2.800 . 3.800 2.353 1.985 2.685 . 0 0 "[ . 1 . 2]" 1
120 1 54 ALA MB 1 55 VAL QG 3.900 . 6.000 2.531 2.417 2.714 . 0 0 "[ . 1 . 2]" 1
121 1 51 VAL MG1 1 55 VAL MG2 3.900 . 6.000 2.778 1.959 3.671 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU QD 1 55 VAL MG2 3.900 . 6.000 2.638 2.215 2.965 . 0 0 "[ . 1 . 2]" 1
123 1 52 ASP HA 1 55 VAL QG 4.150 . 5.500 2.527 2.274 2.768 . 0 0 "[ . 1 . 2]" 1
124 1 54 ALA MB 1 55 VAL MG2 3.050 . 4.300 2.545 2.427 2.737 . 0 0 "[ . 1 . 2]" 1
125 1 56 ARG HA 1 56 ARG QD 3.400 . 5.000 3.648 2.280 3.991 . 0 0 "[ . 1 . 2]" 1
126 1 20 LEU QD 1 79 TYR QD 4.150 . 5.500 3.850 2.848 4.317 . 0 0 "[ . 1 . 2]" 1
127 1 56 ARG HA 1 56 ARG QG 2.550 . 3.300 2.256 2.153 2.400 . 0 0 "[ . 1 . 2]" 1
128 1 56 ARG HA 1 56 ARG QB 2.250 . 2.700 2.449 2.348 2.550 . 0 0 "[ . 1 . 2]" 1
129 1 56 ARG HA 1 56 ARG QB 2.250 . 2.700 2.136 2.060 2.237 . 0 0 "[ . 1 . 2]" 1
130 1 56 ARG QB 1 56 ARG QD 2.550 . 3.300 2.128 2.085 2.234 . 0 0 "[ . 1 . 2]" 1
131 1 74 ILE HB 1 74 ILE HG13 2.550 . 3.300 2.486 2.264 2.575 . 0 0 "[ . 1 . 2]" 1
132 1 74 ILE HG13 1 74 ILE MG 2.500 . 3.500 3.087 2.381 3.134 . 0 0 "[ . 1 . 2]" 1
133 1 56 ARG QD 1 56 ARG QG 2.250 . 2.700 2.094 2.056 2.108 . 0 0 "[ . 1 . 2]" 1
134 1 85 LEU QD 1 126 VAL QG 4.400 . 7.000 1.860 1.665 2.329 0.135 12 0 "[ . 1 . 2]" 1
135 1 56 ARG HB2 1 56 ARG QD 2.250 . 2.700 2.298 2.107 2.405 . 0 0 "[ . 1 . 2]" 1
136 1 74 ILE MG 1 82 ARG QD 3.650 . 5.500 2.917 2.208 3.494 . 0 0 "[ . 1 . 2]" 1
137 1 57 HIS HA 1 57 HIS QB 2.250 . 2.700 2.523 2.459 2.549 . 0 0 "[ . 1 . 2]" 1
138 1 58 ILE HB 1 58 ILE MD 2.800 . 3.200 2.293 2.147 2.474 . 0 0 "[ . 1 . 2]" 1
139 1 58 ILE MG 1 59 GLU HA 4.150 . 5.500 3.342 3.058 3.839 . 0 0 "[ . 1 . 2]" 1
140 1 58 ILE HA 1 61 ILE MG 4.150 . 6.500 4.022 3.608 4.297 . 0 0 "[ . 1 . 2]" 1
141 1 58 ILE MG 1 59 GLU HG3 2.800 . 3.800 2.472 2.313 2.831 . 0 0 "[ . 1 . 2]" 1
142 1 58 ILE MD 1 58 ILE MG 3.050 . 4.300 2.069 1.876 2.673 . 0 0 "[ . 1 . 2]" 1
143 1 59 GLU HA 1 62 ASP HB3 3.400 . 5.000 4.108 2.978 4.948 . 0 0 "[ . 1 . 2]" 1
144 1 45 GLU HA 1 45 GLU QB 2.250 . 2.700 2.424 2.374 2.518 . 0 0 "[ . 1 . 2]" 1
145 1 59 GLU HA 1 59 GLU QG 2.550 . 3.300 2.254 2.210 2.284 . 0 0 "[ . 1 . 2]" 1
146 1 59 GLU HA 1 59 GLU QB 2.250 . 2.700 2.202 2.179 2.234 . 0 0 "[ . 1 . 2]" 1
147 1 121 LYS HA 1 121 LYS QB 2.250 . 2.700 2.493 2.443 2.540 . 0 0 "[ . 1 . 2]" 1
148 1 59 GLU QB 1 59 GLU QG 2.250 . 2.700 2.108 2.104 2.111 . 0 0 "[ . 1 . 2]" 1
149 1 61 ILE H 1 61 ILE HA 2.550 . 3.300 2.816 2.804 2.830 . 0 0 "[ . 1 . 2]" 1
150 1 61 ILE H 1 61 ILE HB 3.400 . 5.000 2.655 2.596 2.768 . 0 0 "[ . 1 . 2]" 1
151 1 61 ILE MG 1 90 ALA H 3.650 . 5.500 4.083 3.915 4.260 . 0 0 "[ . 1 . 2]" 1
152 1 59 GLU H 1 61 ILE MG 4.150 . 6.500 3.970 3.884 4.072 . 0 0 "[ . 1 . 2]" 1
153 1 61 ILE MG 1 86 ARG HA 2.800 . 3.800 2.313 2.091 2.991 . 0 0 "[ . 1 . 2]" 1
154 1 61 ILE MG 1 89 VAL HB 2.800 . 3.800 3.278 3.245 3.308 . 0 0 "[ . 1 . 2]" 1
155 1 61 ILE MG 1 86 ARG QG 3.650 . 5.500 2.536 2.277 3.067 . 0 0 "[ . 1 . 2]" 1
156 1 130 ILE MD 1 131 TYR H 4.150 . 6.500 4.807 4.737 4.900 . 0 0 "[ . 1 . 2]" 1
157 1 61 ILE MG 1 130 ILE MD 3.050 . 4.300 1.858 1.823 1.933 . 0 0 "[ . 1 . 2]" 1
158 1 64 ILE H 1 64 ILE MD 3.650 . 5.500 3.580 3.509 4.153 . 0 0 "[ . 1 . 2]" 1
159 1 64 ILE MD 1 94 PHE QE 3.650 . 5.500 2.102 1.958 3.527 . 0 0 "[ . 1 . 2]" 1
160 1 60 GLU QG 1 64 ILE MD 4.150 . 6.500 2.230 2.034 3.872 . 0 0 "[ . 1 . 2]" 1
161 1 74 ILE MD 1 82 ARG QD 3.650 . 5.500 3.110 1.986 4.189 . 0 0 "[ . 1 . 2]" 1
162 1 62 ASP QB 1 74 ILE MD 3.650 . 5.500 2.482 1.912 3.009 . 0 0 "[ . 1 . 2]" 1
163 1 80 VAL HA 1 80 VAL QG 2.500 . 3.200 2.073 2.039 2.108 . 0 0 "[ . 1 . 2]" 1
164 1 105 ILE MD 1 105 ILE MG 2.750 . 3.700 1.777 1.765 1.784 0.035 15 0 "[ . 1 . 2]" 1
165 1 62 ASP HA 1 65 ILE H 3.400 . 5.000 3.296 3.218 3.375 . 0 0 "[ . 1 . 2]" 1
166 1 109 ASP HA 1 112 LYS H 3.900 . 5.000 3.280 3.203 3.643 . 0 0 "[ . 1 . 2]" 1
167 1 62 ASP HA 1 62 ASP QB 2.550 . 3.300 2.351 2.180 2.561 . 0 0 "[ . 1 . 2]" 1
168 1 62 ASP HA 1 65 ILE HB 3.400 . 5.000 2.492 2.329 2.687 . 0 0 "[ . 1 . 2]" 1
169 1 62 ASP HA 1 65 ILE MG 2.800 . 3.800 2.993 2.831 3.076 . 0 0 "[ . 1 . 2]" 1
170 1 61 ILE MG 1 62 ASP HA 3.650 . 5.500 3.707 3.544 3.842 . 0 0 "[ . 1 . 2]" 1
171 1 62 ASP H 1 62 ASP QB 3.400 . 5.000 2.393 2.044 2.646 . 0 0 "[ . 1 . 2]" 1
172 1 82 ARG HB3 1 83 ASN QB 3.900 . 6.000 4.331 3.667 4.818 . 0 0 "[ . 1 . 2]" 1
173 1 62 ASP QB 1 74 ILE MG 3.650 . 5.500 2.868 2.138 3.639 . 0 0 "[ . 1 . 2]" 1
174 1 63 SER HA 1 66 GLU H 3.400 . 5.000 3.156 3.057 3.234 . 0 0 "[ . 1 . 2]" 1
175 1 63 SER HA 1 64 ILE H 3.900 . 6.000 3.538 3.531 3.545 . 0 0 "[ . 1 . 2]" 1
176 1 63 SER HA 1 63 SER QB 2.250 . 2.700 2.464 2.424 2.481 . 0 0 "[ . 1 . 2]" 1
177 1 63 SER HA 1 66 GLU HA 3.900 . 6.000 4.995 4.802 5.202 . 0 0 "[ . 1 . 2]" 1
178 1 63 SER HA 1 66 GLU HB2 2.550 . 2.700 2.484 2.278 2.717 0.017 1 0 "[ . 1 . 2]" 1
179 1 62 ASP QB 1 63 SER HA 3.900 . 6.000 4.014 3.758 4.624 . 0 0 "[ . 1 . 2]" 1
180 1 58 ILE HA 1 59 GLU H 3.400 . 5.000 2.413 2.374 2.460 . 0 0 "[ . 1 . 2]" 1
181 1 63 SER QB 1 64 ILE H 2.550 . 3.300 2.465 2.417 2.518 . 0 0 "[ . 1 . 2]" 1
182 1 58 ILE HA 1 61 ILE H 3.400 . 5.000 4.159 3.388 4.589 . 0 0 "[ . 1 . 2]" 1
183 1 60 GLU QB 1 63 SER QB 3.400 . 5.000 3.554 3.489 3.615 . 0 0 "[ . 1 . 2]" 1
184 1 64 ILE HA 1 67 LYS QD 3.400 . 5.000 3.480 2.389 4.225 . 0 0 "[ . 1 . 2]" 1
185 1 64 ILE H 1 64 ILE HB 3.400 . 5.000 2.200 2.070 2.250 . 0 0 "[ . 1 . 2]" 1
186 1 66 GLU H 1 66 GLU QG 3.900 . 6.000 2.868 2.197 3.903 . 0 0 "[ . 1 . 2]" 1
187 1 65 ILE H 1 65 ILE HB . . 3.300 2.068 2.036 2.096 . 0 0 "[ . 1 . 2]" 1
188 1 64 ILE MG 1 130 ILE MG 2.750 . 3.700 1.914 1.834 2.106 . 0 0 "[ . 1 . 2]" 1
189 1 113 LYS QD 1 114 TYR QE 3.900 . 6.000 4.120 2.798 5.182 . 0 0 "[ . 1 . 2]" 1
190 1 113 LYS QB 1 113 LYS QD 2.550 . 3.300 2.254 2.115 2.700 . 0 0 "[ . 1 . 2]" 1
191 1 65 ILE HA 1 65 ILE MG 2.500 . 3.200 2.906 2.833 2.958 . 0 0 "[ . 1 . 2]" 1
192 1 65 ILE H 1 65 ILE MG 3.650 . 5.500 3.093 2.982 3.229 . 0 0 "[ . 1 . 2]" 1
193 1 65 ILE MG 1 66 GLU H 4.150 . 6.500 2.088 1.873 2.233 . 0 0 "[ . 1 . 2]" 1
194 1 65 ILE MG 1 66 GLU HA . . 3.200 2.676 2.651 2.702 . 0 0 "[ . 1 . 2]" 1
195 1 65 ILE MD 1 66 GLU HA 3.650 . 5.500 4.196 4.023 4.413 . 0 0 "[ . 1 . 2]" 1
196 1 65 ILE MD 1 130 ILE HA 4.150 . 6.500 4.340 4.180 4.740 . 0 0 "[ . 1 . 2]" 1
197 1 65 ILE MD 1 130 ILE HB 3.650 . 5.500 4.328 4.225 4.446 . 0 0 "[ . 1 . 2]" 1
198 1 82 ARG HA 1 83 ASN H 3.900 . 6.000 3.572 3.558 3.586 . 0 0 "[ . 1 . 2]" 1
199 1 82 ARG HA 1 82 ARG QD 3.900 . 6.000 3.328 2.214 3.907 . 0 0 "[ . 1 . 2]" 1
200 1 66 GLU HA 1 66 GLU QG . . 3.300 2.270 2.227 2.319 . 0 0 "[ . 1 . 2]" 1
201 1 82 ARG HA 1 82 ARG QG 3.400 . 5.000 2.385 2.098 2.658 . 0 0 "[ . 1 . 2]" 1
202 1 66 GLU HA 1 66 GLU QB 2.250 . 2.700 2.423 2.378 2.465 . 0 0 "[ . 1 . 2]" 1
203 1 66 GLU H 1 66 GLU QG 3.400 . 5.000 2.595 2.176 3.423 . 0 0 "[ . 1 . 2]" 1
204 1 66 GLU QB 1 66 GLU QG 2.250 . 2.700 2.106 2.097 2.110 . 0 0 "[ . 1 . 2]" 1
205 1 66 GLU H 1 66 GLU QB 2.550 . 3.300 2.069 1.961 2.142 . 0 0 "[ . 1 . 2]" 1
206 1 63 SER HA 1 66 GLU QB 3.400 . 5.000 2.350 2.190 2.643 . 0 0 "[ . 1 . 2]" 1
207 1 122 PHE HA 1 122 PHE QD 2.550 . 3.300 2.801 2.323 3.079 . 0 0 "[ . 1 . 2]" 1
208 1 66 GLU QB 1 69 LEU QD 3.650 . 5.500 3.539 3.219 4.020 . 0 0 "[ . 1 . 2]" 1
209 1 67 LYS HA 1 67 LYS QG 2.550 . 3.300 2.250 2.160 2.385 . 0 0 "[ . 1 . 2]" 1
210 1 67 LYS HA 1 67 LYS QB 2.250 . 2.700 2.443 2.321 2.545 . 0 0 "[ . 1 . 2]" 1
211 1 118 LYS HA 1 118 LYS QG . . 3.300 2.324 2.159 2.519 . 0 0 "[ . 1 . 2]" 1
212 1 68 HIS HA 1 68 HIS QB 2.250 . 2.700 2.482 2.431 2.545 . 0 0 "[ . 1 . 2]" 1
213 1 68 HIS HA 1 129 ALA MB 4.150 . 6.500 4.263 4.054 4.524 . 0 0 "[ . 1 . 2]" 1
214 1 68 HIS QB 1 129 ALA MB 4.150 . 5.500 2.080 1.951 2.370 . 0 0 "[ . 1 . 2]" 1
215 1 69 LEU HA 1 69 LEU QD 2.500 . 3.200 2.014 1.976 2.187 . 0 0 "[ . 1 . 2]" 1
216 1 69 LEU HA 1 69 LEU QB 2.550 . 3.300 2.444 2.405 2.500 . 0 0 "[ . 1 . 2]" 1
217 1 69 LEU HA 1 69 LEU HG 3.400 . 5.000 2.824 2.375 2.961 . 0 0 "[ . 1 . 2]" 1
218 1 69 LEU QD 1 126 VAL MG2 3.050 . 4.300 2.131 1.949 2.310 . 0 0 "[ . 1 . 2]" 1
219 1 70 LYS HA 1 70 LYS QG 2.250 . 2.700 2.238 2.155 2.303 . 0 0 "[ . 1 . 2]" 1
220 1 31 GLU QB 1 33 VAL H 3.900 . 6.000 4.861 4.799 4.913 . 0 0 "[ . 1 . 2]" 1
221 1 74 ILE MD 1 82 ARG QB 4.150 . 6.500 3.961 3.463 5.450 . 0 0 "[ . 1 . 2]" 1
222 1 72 TRP HA 1 72 TRP HE3 3.900 . 6.000 5.136 4.506 5.268 . 0 0 "[ . 1 . 2]" 1
223 1 72 TRP HA 1 72 TRP QB 2.250 . 2.700 2.344 2.271 2.551 . 0 0 "[ . 1 . 2]" 1
224 1 72 TRP QB 1 72 TRP HE3 . . 3.300 2.487 2.408 2.582 . 0 0 "[ . 1 . 2]" 1
225 1 82 ARG H 1 82 ARG HA 2.550 . 3.300 2.770 2.758 2.798 . 0 0 "[ . 1 . 2]" 1
226 1 69 LEU QB 1 72 TRP QB 3.400 . 5.000 2.284 2.082 3.377 . 0 0 "[ . 1 . 2]" 1
227 1 69 LEU QD 1 72 TRP HE3 3.650 . 5.500 2.528 2.296 3.267 . 0 0 "[ . 1 . 2]" 1
228 1 69 LEU QD 1 72 TRP HZ3 4.150 . 6.500 4.194 3.993 4.614 . 0 0 "[ . 1 . 2]" 1
229 1 73 SER HA 1 73 SER QB 2.250 . 2.700 2.354 2.177 2.542 . 0 0 "[ . 1 . 2]" 1
230 1 41 LYS HA 1 43 ALA H 3.400 . 5.000 3.334 3.306 3.366 . 0 0 "[ . 1 . 2]" 1
231 1 74 ILE HA 1 74 ILE MG 2.500 . 3.800 3.060 2.174 3.191 . 0 0 "[ . 1 . 2]" 1
232 1 74 ILE HA 1 74 ILE HB 2.250 . 2.700 2.331 2.251 2.939 0.239 3 0 "[ . 1 . 2]" 1
233 1 66 GLU HG3 1 74 ILE HB 3.900 . 6.000 5.321 4.578 6.044 0.044 3 0 "[ . 1 . 2]" 1
234 1 59 GLU HA 1 61 ILE H 3.900 . 6.000 4.126 4.054 4.205 . 0 0 "[ . 1 . 2]" 1
235 1 113 LYS HA 1 113 LYS QD 3.400 . 5.000 3.556 2.286 4.031 . 0 0 "[ . 1 . 2]" 1
236 1 66 GLU HB2 1 74 ILE MD 4.150 . 6.500 4.923 1.997 5.382 . 0 0 "[ . 1 . 2]" 1
237 1 66 GLU QG 1 74 ILE MG 3.650 . 5.500 3.467 2.885 4.386 . 0 0 "[ . 1 . 2]" 1
238 1 74 ILE HG12 1 74 ILE MG 2.800 . 3.800 2.339 2.205 3.200 . 0 0 "[ . 1 . 2]" 1
239 1 25 PRO HA 1 28 LEU QB 3.400 . 5.000 2.544 2.278 2.957 . 0 0 "[ . 1 . 2]" 1
240 1 74 ILE MG 1 75 ASP HA 3.650 . 5.500 4.011 3.314 4.472 . 0 0 "[ . 1 . 2]" 1
241 1 75 ASP HA 1 75 ASP QB 2.250 . 2.700 2.356 2.174 2.475 . 0 0 "[ . 1 . 2]" 1
242 1 76 ARG HA 1 76 ARG QD 3.400 . 5.000 2.898 2.101 4.040 . 0 0 "[ . 1 . 2]" 1
243 1 76 ARG QB 1 76 ARG QG 2.250 . 2.700 2.062 2.024 2.110 . 0 0 "[ . 1 . 2]" 1
244 1 76 ARG QB 1 76 ARG QD 2.550 . 3.300 2.246 2.115 2.644 . 0 0 "[ . 1 . 2]" 1
245 1 72 TRP QB 1 76 ARG QB 3.900 . 6.000 3.828 2.823 5.070 . 0 0 "[ . 1 . 2]" 1
246 1 77 LEU HA 1 77 LEU QB 2.550 . 3.300 2.441 2.177 2.551 . 0 0 "[ . 1 . 2]" 1
247 1 126 VAL HA 1 129 ALA MB 2.500 . 3.200 2.247 2.157 2.307 . 0 0 "[ . 1 . 2]" 1
248 1 130 ILE HA 1 133 ALA MB 3.650 . 3.800 2.537 2.271 2.792 . 0 0 "[ . 1 . 2]" 1
249 1 32 VAL HA 1 32 VAL QG 2.500 . 3.200 2.354 2.336 2.373 . 0 0 "[ . 1 . 2]" 1
250 1 79 TYR HA 1 79 TYR QB 2.550 . 3.300 2.516 2.479 2.544 . 0 0 "[ . 1 . 2]" 1
251 1 79 TYR HA 1 79 TYR QD 2.550 . 3.300 2.674 2.303 3.011 . 0 0 "[ . 1 . 2]" 1
252 1 109 ASP QB 1 110 LEU H 3.400 . 5.000 2.621 2.463 2.674 . 0 0 "[ . 1 . 2]" 1
253 1 16 TYR QE 1 79 TYR QB 3.400 . 5.000 2.392 2.170 2.658 . 0 0 "[ . 1 . 2]" 1
254 1 109 ASP HA 1 109 ASP QB 2.250 . 2.700 2.414 2.343 2.504 . 0 0 "[ . 1 . 2]" 1
255 1 105 ILE MG 1 109 ASP QB 4.150 . 6.500 2.815 2.668 3.283 . 0 0 "[ . 1 . 2]" 1
256 1 79 TYR HA 1 79 TYR QE 3.900 . 6.000 4.295 4.170 4.456 . 0 0 "[ . 1 . 2]" 1
257 1 79 TYR QB 1 79 TYR QE 3.900 . 6.000 3.976 3.962 3.993 . 0 0 "[ . 1 . 2]" 1
258 1 4 ARG HA 1 4 ARG QD 3.900 . 6.000 4.348 3.863 4.639 . 0 0 "[ . 1 . 2]" 1
259 1 80 VAL MG2 1 115 ALA MB 2.750 . 3.700 2.165 2.085 2.249 . 0 0 "[ . 1 . 2]" 1
260 1 80 VAL MG1 1 80 VAL MG2 2.750 . 3.700 2.061 2.011 2.084 . 0 0 "[ . 1 . 2]" 1
261 1 80 VAL QG 1 114 TYR QB 3.650 . 5.500 2.791 2.674 2.844 . 0 0 "[ . 1 . 2]" 1
262 1 134 TYR HA 1 134 TYR QB 2.550 . 2.700 2.312 2.269 2.328 . 0 0 "[ . 1 . 2]" 1
263 1 117 GLU QB 1 120 GLY HA3 3.900 . 6.000 4.986 4.702 5.392 . 0 0 "[ . 1 . 2]" 1
264 1 81 GLU QB 1 82 ARG HB2 3.400 . 5.000 4.163 3.983 4.274 . 0 0 "[ . 1 . 2]" 1
265 1 53 THR MG 1 94 PHE QB 3.650 . 5.500 1.962 1.805 2.123 . 0 0 "[ . 1 . 2]" 1
266 1 82 ARG HA 1 82 ARG QB 2.550 . 3.300 2.364 2.231 2.550 . 0 0 "[ . 1 . 2]" 1
267 1 96 LYS HA 1 96 LYS QB 2.550 . 2.700 2.432 2.324 2.513 . 0 0 "[ . 1 . 2]" 1
268 1 81 GLU QG 1 82 ARG QB 3.900 . 6.000 4.940 4.174 5.549 . 0 0 "[ . 1 . 2]" 1
269 1 93 ILE MD 1 134 TYR QB . 3.800 3.800 2.642 2.485 2.778 1.315 17 20 [****************+*-*] 1
270 1 45 GLU H 1 45 GLU QG 3.900 . 6.000 3.069 2.171 3.374 . 0 0 "[ . 1 . 2]" 1
271 1 3 TYR QD 1 43 ALA MB 3.650 . 5.500 2.395 2.235 2.611 . 0 0 "[ . 1 . 2]" 1
272 1 80 VAL MG1 1 84 ALA HA 4.150 . 6.500 2.220 2.103 2.357 . 0 0 "[ . 1 . 2]" 1
273 1 84 ALA HA 1 107 ILE MG 4.150 . 5.500 4.008 2.831 4.562 . 0 0 "[ . 1 . 2]" 1
274 1 84 ALA MB 1 85 LEU H 2.800 . 3.800 2.534 2.305 2.726 . 0 0 "[ . 1 . 2]" 1
275 1 81 GLU HA 1 84 ALA MB 3.650 . 3.800 2.265 2.186 2.405 . 0 0 "[ . 1 . 2]" 1
276 1 81 GLU QB 1 84 ALA MB 4.150 . 6.500 3.912 3.675 4.123 . 0 0 "[ . 1 . 2]" 1
277 1 80 VAL MG1 1 84 ALA MB 3.050 . 4.300 2.411 2.290 2.607 . 0 0 "[ . 1 . 2]" 1
278 1 111 VAL HB 1 120 GLY QA 3.900 . 6.000 3.901 3.288 4.694 . 0 0 "[ . 1 . 2]" 1
279 1 85 LEU QD 1 127 LEU QD 4.400 . 7.000 2.377 1.830 3.268 . 0 0 "[ . 1 . 2]" 1
280 1 3 TYR QE 1 4 ARG HA 3.900 . 6.000 3.558 3.048 3.954 . 0 0 "[ . 1 . 2]" 1
281 1 85 LEU QD 1 123 VAL QG 3.900 . 6.000 2.735 1.791 3.504 0.009 10 0 "[ . 1 . 2]" 1
282 1 85 LEU HA 1 85 LEU QD 3.650 . 3.800 2.330 1.869 2.937 . 0 0 "[ . 1 . 2]" 1
283 1 85 LEU H 1 85 LEU QD 4.150 . 6.500 3.215 2.270 3.707 . 0 0 "[ . 1 . 2]" 1
284 1 87 LEU HG 1 89 VAL MG1 4.150 . 6.500 5.234 5.194 5.391 . 0 0 "[ . 1 . 2]" 1
285 1 3 TYR QE 1 4 ARG QB 3.900 . 6.000 3.117 2.630 3.458 . 0 0 "[ . 1 . 2]" 1
286 1 12 PHE H 1 87 LEU QD 3.650 . 5.500 2.493 2.254 2.879 . 0 0 "[ . 1 . 2]" 1
287 1 15 LEU QB 1 87 LEU MD2 3.650 . 5.500 3.743 2.503 3.998 . 0 0 "[ . 1 . 2]" 1
288 1 41 LYS HA 1 44 TYR QB 2.550 . 3.300 2.460 2.204 2.836 . 0 0 "[ . 1 . 2]" 1
289 1 3 TYR QE 1 7 ALA MB 4.150 . 6.500 4.071 3.693 4.441 . 0 0 "[ . 1 . 2]" 1
290 1 11 ALA MB 1 87 LEU QD 3.050 . 4.300 2.106 1.718 2.294 0.082 7 0 "[ . 1 . 2]" 1
291 1 87 LEU QD 1 107 ILE MG 3.900 . 6.000 1.938 1.764 2.515 0.036 6 0 "[ . 1 . 2]" 1
292 1 87 LEU H 1 87 LEU QD 4.150 . 6.500 3.342 2.089 3.596 . 0 0 "[ . 1 . 2]" 1
293 1 11 ALA MB 1 87 LEU MD1 2.750 . 3.700 2.221 2.119 2.357 . 0 0 "[ . 1 . 2]" 1
294 1 3 TYR QE 1 4 ARG QG 3.900 . 6.000 3.761 2.584 4.834 . 0 0 "[ . 1 . 2]" 1
295 1 15 LEU H 1 87 LEU MD2 4.150 . 6.500 4.670 3.941 4.866 . 0 0 "[ . 1 . 2]" 1
296 1 113 LYS HA 1 113 LYS QG . . 2.700 2.198 2.152 2.321 . 0 0 "[ . 1 . 2]" 1
297 1 88 GLY H 1 88 GLY QA 2.550 . 3.300 2.209 2.201 2.216 . 0 0 "[ . 1 . 2]" 1
298 1 88 GLY QA 1 92 LEU QD 4.150 . 6.500 2.113 1.843 2.589 . 0 0 "[ . 1 . 2]" 1
299 1 111 VAL MG1 1 120 GLY HA2 2.800 . 3.800 2.267 2.143 2.625 . 0 0 "[ . 1 . 2]" 1
300 1 88 GLY HA2 1 107 ILE MD 3.650 . 5.500 3.663 2.021 4.545 . 0 0 "[ . 1 . 2]" 1
301 1 88 GLY QA 1 127 LEU QD 4.150 . 5.500 2.125 1.846 2.637 . 0 0 "[ . 1 . 2]" 1
302 1 89 VAL H 1 89 VAL HA 2.550 . 3.300 2.717 2.710 2.727 . 0 0 "[ . 1 . 2]" 1
303 1 89 VAL HA 1 92 LEU QD 4.150 . 6.500 2.237 2.019 3.013 . 0 0 "[ . 1 . 2]" 1
304 1 89 VAL HA 1 89 VAL QG 2.500 . 3.200 2.409 2.340 2.460 . 0 0 "[ . 1 . 2]" 1
305 1 89 VAL HA 1 92 LEU HG 3.900 . 6.000 3.561 2.360 5.135 . 0 0 "[ . 1 . 2]" 1
306 1 3 TYR QD 1 4 ARG HA 3.400 . 5.000 3.306 2.712 3.845 . 0 0 "[ . 1 . 2]" 1
307 1 89 VAL HA 1 92 LEU QB 3.400 . 5.000 2.378 2.131 2.953 . 0 0 "[ . 1 . 2]" 1
308 1 89 VAL H 1 89 VAL HB 3.400 . 5.000 2.726 2.675 2.830 . 0 0 "[ . 1 . 2]" 1
309 1 88 GLY H 1 89 VAL MG1 3.650 . 5.500 2.195 2.006 2.345 . 0 0 "[ . 1 . 2]" 1
310 1 89 VAL H 1 89 VAL MG1 2.500 . 3.200 1.503 1.440 1.595 0.360 10 0 "[ . 1 . 2]" 1
311 1 87 LEU HA 1 89 VAL MG1 4.150 . 6.500 3.916 3.804 4.033 . 0 0 "[ . 1 . 2]" 1
312 1 61 ILE HA 1 89 VAL QG 3.650 . 5.500 3.338 3.254 3.470 . 0 0 "[ . 1 . 2]" 1
313 1 48 LYS HB2 1 51 VAL QG 4.150 . 6.500 3.131 2.904 3.261 . 0 0 "[ . 1 . 2]" 1
314 1 89 VAL QG 1 130 ILE MD 2.750 . 3.700 1.901 1.861 1.998 . 0 0 "[ . 1 . 2]" 1
315 1 90 ALA H 1 90 ALA MB 2.500 . 3.200 2.115 2.024 2.215 . 0 0 "[ . 1 . 2]" 1
316 1 90 ALA MB 1 91 GLU H 2.800 . 3.200 2.525 2.430 2.651 . 0 0 "[ . 1 . 2]" 1
317 1 90 ALA MB 1 95 LEU QD 3.900 . 6.000 3.815 3.459 3.996 . 0 0 "[ . 1 . 2]" 1
318 1 50 LEU QD 1 91 GLU HA 4.150 . 6.500 4.211 3.909 4.568 . 0 0 "[ . 1 . 2]" 1
319 1 50 LEU QD 1 91 GLU QG 4.150 . 6.500 3.114 2.690 3.379 . 0 0 "[ . 1 . 2]" 1
320 1 91 GLU HA 1 91 GLU QG 3.400 . 5.000 2.463 2.211 3.297 . 0 0 "[ . 1 . 2]" 1
321 1 31 GLU QB 1 31 GLU QG 2.250 . 2.700 2.077 2.009 2.108 . 0 0 "[ . 1 . 2]" 1
322 1 50 LEU QD 1 90 ALA MB 3.900 . 6.000 3.106 2.796 3.353 . 0 0 "[ . 1 . 2]" 1
323 1 50 LEU QD 1 52 ASP H 4.150 . 6.500 2.127 1.552 3.057 0.248 15 0 "[ . 1 . 2]" 1
324 1 92 LEU QD 1 127 LEU QD 3.900 . 6.000 2.118 1.817 2.686 . 0 0 "[ . 1 . 2]" 1
325 1 92 LEU QD 1 104 PHE QE 4.150 . 6.500 3.160 2.020 4.813 . 0 0 "[ . 1 . 2]" 1
326 1 93 ILE HA 1 93 ILE MG 2.800 . 3.800 2.245 2.212 2.291 . 0 0 "[ . 1 . 2]" 1
327 1 93 ILE HA 1 93 ILE HG12 3.400 . 5.000 3.529 3.433 3.621 . 0 0 "[ . 1 . 2]" 1
328 1 92 LEU QD 1 93 ILE HA 3.650 . 5.500 3.518 3.369 3.641 . 0 0 "[ . 1 . 2]" 1
329 1 93 ILE MD 1 93 ILE MG 3.050 2.800 4.300 3.005 2.948 3.045 . 0 0 "[ . 1 . 2]" 1
330 1 93 ILE H 1 93 ILE HB 3.400 . 5.000 2.826 2.735 2.903 . 0 0 "[ . 1 . 2]" 1
331 1 93 ILE HB 1 94 PHE QE 3.900 . 6.000 3.661 3.079 3.981 . 0 0 "[ . 1 . 2]" 1
332 1 93 ILE H 1 93 ILE MG 4.150 . 6.500 3.887 3.881 3.893 . 0 0 "[ . 1 . 2]" 1
333 1 93 ILE MG 1 134 TYR QE 2.800 . 3.800 2.819 2.369 3.063 . 0 0 "[ . 1 . 2]" 1
334 1 93 ILE MG 1 94 PHE QE 3.650 . 5.500 3.680 3.061 4.143 . 0 0 "[ . 1 . 2]" 1
335 1 4 ARG HA 1 4 ARG QG 3.400 . 5.000 3.121 2.280 3.366 . 0 0 "[ . 1 . 2]" 1
336 1 64 ILE MD 1 94 PHE HZ 4.150 . 6.500 2.158 1.986 3.929 . 0 0 "[ . 1 . 2]" 1
337 1 60 GLU QB 1 94 PHE HZ 3.900 . 6.000 5.121 5.008 5.158 . 0 0 "[ . 1 . 2]" 1
338 1 29 PHE QD 1 32 VAL QG 3.650 . 5.500 2.042 1.963 2.218 . 0 0 "[ . 1 . 2]" 1
339 1 95 LEU HA 1 95 LEU QB 2.550 . 3.300 2.488 2.408 2.545 . 0 0 "[ . 1 . 2]" 1
340 1 95 LEU HA 1 95 LEU HG 2.550 . 3.300 3.044 2.634 3.527 0.227 2 0 "[ . 1 . 2]" 1
341 1 53 THR MG 1 95 LEU HG 3.650 . 5.500 3.487 1.936 4.177 . 0 0 "[ . 1 . 2]" 1
342 1 50 LEU MD2 1 53 THR HB 4.150 . 6.500 3.167 2.938 3.367 . 0 0 "[ . 1 . 2]" 1
343 1 96 LYS HA 1 96 LYS QG 2.550 . 2.700 2.283 2.178 2.434 . 0 0 "[ . 1 . 2]" 1
344 1 105 ILE HA 1 105 ILE HG13 . . 3.300 3.465 3.457 3.473 0.173 11 0 "[ . 1 . 2]" 1
345 1 97 SER HA 1 97 SER QB 2.250 . 2.700 2.267 2.169 2.442 . 0 0 "[ . 1 . 2]" 1
346 1 4 ARG QB 1 4 ARG QD 2.550 . 3.300 2.341 2.128 2.593 . 0 0 "[ . 1 . 2]" 1
347 1 95 LEU QD 1 97 SER HA 4.150 . 6.500 4.661 3.371 5.339 . 0 0 "[ . 1 . 2]" 1
348 1 118 LYS HA 1 118 LYS QB 2.250 . 2.700 2.421 2.312 2.552 . 0 0 "[ . 1 . 2]" 1
349 1 98 LYS HA 1 100 PRO HD3 3.400 . 5.000 3.626 3.383 3.920 . 0 0 "[ . 1 . 2]" 1
350 1 98 LYS HA 1 100 PRO QD 3.900 . 6.000 3.550 3.309 3.839 . 0 0 "[ . 1 . 2]" 1
351 1 98 LYS HA 1 99 GLU QB 3.900 . 6.000 5.125 4.492 5.498 . 0 0 "[ . 1 . 2]" 1
352 1 98 LYS HA 1 98 LYS QG 2.550 . 3.300 2.340 2.238 2.534 . 0 0 "[ . 1 . 2]" 1
353 1 98 LYS QD 1 98 LYS QE 2.250 . 2.700 2.097 2.046 2.109 . 0 0 "[ . 1 . 2]" 1
354 1 98 LYS QB 1 98 LYS QD 2.550 . 3.300 2.203 2.117 2.522 . 0 0 "[ . 1 . 2]" 1
355 1 116 ASP HA 1 116 ASP QB 2.250 . 2.700 2.328 2.170 2.501 . 0 0 "[ . 1 . 2]" 1
356 1 98 LYS QE 1 98 LYS HG2 2.250 . 2.700 2.307 2.184 2.489 . 0 0 "[ . 1 . 2]" 1
357 1 102 ARG QD 1 102 ARG QG 2.250 . 2.700 2.071 1.985 2.107 . 0 0 "[ . 1 . 2]" 1
358 1 99 GLU HA 1 100 PRO HD2 2.250 . 2.700 2.461 2.317 2.625 . 0 0 "[ . 1 . 2]" 1
359 1 98 LYS QB 1 99 GLU HA 3.900 . 6.000 3.796 3.687 4.013 . 0 0 "[ . 1 . 2]" 1
360 1 99 GLU HA 1 99 GLU QB 2.250 . 2.700 2.234 2.184 2.436 . 0 0 "[ . 1 . 2]" 1
361 1 99 GLU QG 1 103 VAL MG2 3.650 . 5.500 3.506 2.253 4.431 . 0 0 "[ . 1 . 2]" 1
362 1 33 VAL HA 1 33 VAL QG 2.500 . 3.200 2.082 2.073 2.094 . 0 0 "[ . 1 . 2]" 1
363 1 32 VAL HB 1 33 VAL QG 4.150 . 6.500 2.823 2.291 3.486 . 0 0 "[ . 1 . 2]" 1
364 1 102 ARG QD 1 103 VAL QG 4.150 . 6.500 4.320 3.845 5.168 . 0 0 "[ . 1 . 2]" 1
365 1 102 ARG QB 1 102 ARG QD 2.550 . 3.300 2.287 2.097 2.858 . 0 0 "[ . 1 . 2]" 1
366 1 51 VAL HA 1 90 ALA MB 4.150 . 6.500 4.417 4.016 4.686 . 0 0 "[ . 1 . 2]" 1
367 1 81 GLU QG 1 119 ALA MB 3.650 . 5.500 2.308 1.923 3.734 . 0 0 "[ . 1 . 2]" 1
368 1 126 VAL MG1 1 126 VAL MG2 2.750 . 3.700 2.081 2.061 2.087 . 0 0 "[ . 1 . 2]" 1
369 1 92 LEU QD 1 103 VAL MG1 3.900 . 6.000 3.991 3.887 4.057 . 0 0 "[ . 1 . 2]" 1
370 1 103 VAL QG 1 107 ILE HG13 3.650 . 5.500 4.091 3.273 4.560 . 0 0 "[ . 1 . 2]" 1
371 1 88 GLY HA2 1 103 VAL MG1 4.150 . 6.500 2.761 2.189 3.669 . 0 0 "[ . 1 . 2]" 1
372 1 100 PRO HA 1 103 VAL QG 4.150 . 6.500 2.916 2.481 3.094 . 0 0 "[ . 1 . 2]" 1
373 1 104 PHE HA 1 104 PHE QD 3.900 . 5.000 2.618 2.138 3.325 . 0 0 "[ . 1 . 2]" 1
374 1 104 PHE HA 1 104 PHE QB 2.550 . 3.300 2.233 2.158 2.308 . 0 0 "[ . 1 . 2]" 1
375 1 104 PHE HA 1 107 ILE HB 3.400 . 5.000 2.456 2.292 2.713 . 0 0 "[ . 1 . 2]" 1
376 1 104 PHE HA 1 107 ILE MG 4.150 . 6.500 3.291 2.832 3.639 . 0 0 "[ . 1 . 2]" 1
377 1 104 PHE HA 1 127 LEU MD1 3.650 . 5.500 4.238 3.644 4.470 . 0 0 "[ . 1 . 2]" 1
378 1 104 PHE HB3 1 105 ILE HA 3.400 . 5.000 4.837 4.517 5.243 0.243 2 0 "[ . 1 . 2]" 1
379 1 105 ILE HA 1 108 VAL HB 3.400 . 5.000 2.632 2.241 3.151 . 0 0 "[ . 1 . 2]" 1
380 1 105 ILE MG 1 106 ASP HA 3.650 . 3.800 2.815 2.756 2.877 . 0 0 "[ . 1 . 2]" 1
381 1 102 ARG HA 1 105 ILE MD 3.650 . 5.500 4.681 4.652 4.718 . 0 0 "[ . 1 . 2]" 1
382 1 106 ASP HA 1 106 ASP QB 2.550 . 3.300 2.394 2.299 2.544 . 0 0 "[ . 1 . 2]" 1
383 1 107 ILE HA 1 110 LEU H 3.900 . 5.000 3.491 3.369 3.846 . 0 0 "[ . 1 . 2]" 1
384 1 107 ILE HA 1 107 ILE HG13 3.900 . 5.000 2.706 2.177 3.610 . 0 0 "[ . 1 . 2]" 1
385 1 107 ILE HA 1 107 ILE HG12 3.900 . 5.000 3.192 2.478 3.613 . 0 0 "[ . 1 . 2]" 1
386 1 107 ILE H 1 107 ILE HB 3.400 . 5.000 2.209 2.168 2.280 . 0 0 "[ . 1 . 2]" 1
387 1 107 ILE HG12 1 107 ILE MG 2.800 . 3.800 2.523 2.104 3.206 . 0 0 "[ . 1 . 2]" 1
388 1 107 ILE MG 1 127 LEU QD 3.900 . 6.000 3.571 3.115 3.939 . 0 0 "[ . 1 . 2]" 1
389 1 87 LEU MD1 1 107 ILE MG 3.050 . 4.300 2.639 2.434 2.784 . 0 0 "[ . 1 . 2]" 1
390 1 107 ILE HG13 1 107 ILE MG 2.800 . 3.800 2.545 2.260 3.203 . 0 0 "[ . 1 . 2]" 1
391 1 107 ILE HA 1 107 ILE MG 2.800 . 3.200 2.587 2.509 2.644 . 0 0 "[ . 1 . 2]" 1
392 1 88 GLY QA 1 107 ILE MG 4.150 . 6.500 2.583 2.054 3.214 . 0 0 "[ . 1 . 2]" 1
393 1 107 ILE MG 1 111 VAL H 3.650 . 5.500 4.414 4.248 4.478 . 0 0 "[ . 1 . 2]" 1
394 1 108 VAL HA 1 108 VAL HB 2.550 . 3.300 3.021 3.014 3.025 . 0 0 "[ . 1 . 2]" 1
395 1 108 VAL H 1 108 VAL QG 3.650 . 5.500 2.108 1.870 2.206 . 0 0 "[ . 1 . 2]" 1
396 1 109 ASP HA 1 110 LEU H 3.400 . 5.000 3.504 3.488 3.603 . 0 0 "[ . 1 . 2]" 1
397 1 110 LEU H 1 110 LEU HA 2.550 . 3.300 2.833 2.820 2.880 . 0 0 "[ . 1 . 2]" 1
398 1 110 LEU HA 1 110 LEU QD 2.800 . 3.800 2.869 2.759 2.962 . 0 0 "[ . 1 . 2]" 1
399 1 110 LEU H 1 110 LEU QB 3.400 . 5.000 2.116 2.037 2.986 . 0 0 "[ . 1 . 2]" 1
400 1 16 TYR HA 1 19 ASP HB2 3.400 . 5.000 3.402 3.240 3.654 . 0 0 "[ . 1 . 2]" 1
401 1 12 PHE QB 1 110 LEU MD1 3.650 . 5.500 3.041 2.386 4.540 . 0 0 "[ . 1 . 2]" 1
402 1 107 ILE HG13 1 110 LEU QD 4.150 . 6.500 3.505 2.613 4.484 . 0 0 "[ . 1 . 2]" 1
403 1 84 ALA MB 1 110 LEU QD 4.400 . 7.000 3.573 2.737 4.157 . 0 0 "[ . 1 . 2]" 1
404 1 111 VAL H 1 111 VAL HA 2.550 . 3.300 2.661 2.636 2.705 . 0 0 "[ . 1 . 2]" 1
405 1 111 VAL HA 1 115 ALA MB 3.650 . 5.500 3.549 3.157 3.921 . 0 0 "[ . 1 . 2]" 1
406 1 111 VAL HA 1 111 VAL QG 2.500 . 3.200 2.090 2.082 2.102 . 0 0 "[ . 1 . 2]" 1
407 1 110 LEU H 1 111 VAL QG 4.150 . 6.500 3.821 3.754 3.905 . 0 0 "[ . 1 . 2]" 1
408 1 5 LYS HA 1 8 ARG QD 3.400 . 5.000 3.862 2.480 4.897 . 0 0 "[ . 1 . 2]" 1
409 1 108 VAL MG1 1 112 LYS HA 4.150 . 6.500 5.314 4.974 5.367 . 0 0 "[ . 1 . 2]" 1
410 1 5 LYS HA 1 5 LYS QB 2.250 . 2.700 2.426 2.328 2.542 . 0 0 "[ . 1 . 2]" 1
411 1 87 LEU QD 1 88 GLY HA2 3.650 . 5.500 2.745 2.510 3.190 . 0 0 "[ . 1 . 2]" 1
412 1 16 TYR HA 1 16 TYR QB 2.550 . 3.300 2.423 2.382 2.455 . 0 0 "[ . 1 . 2]" 1
413 1 113 LYS HA 1 113 LYS QB 2.550 . 2.700 2.518 2.464 2.546 . 0 0 "[ . 1 . 2]" 1
414 1 110 LEU HA 1 113 LYS QB 3.400 . 5.000 3.082 2.872 3.224 . 0 0 "[ . 1 . 2]" 1
415 1 113 LYS QE 1 113 LYS QG . . 3.300 2.282 2.121 2.548 . 0 0 "[ . 1 . 2]" 1
416 1 127 LEU MD1 1 127 LEU MD2 2.750 . 3.700 1.993 1.956 2.070 . 0 0 "[ . 1 . 2]" 1
417 1 87 LEU MD1 1 127 LEU MD2 3.900 . 6.000 3.580 2.566 4.098 . 0 0 "[ . 1 . 2]" 1
418 1 15 LEU QB 1 16 TYR HA 3.900 . 6.000 3.782 3.736 3.879 . 0 0 "[ . 1 . 2]" 1
419 1 114 TYR HA 1 114 TYR QD 2.250 . 2.700 2.882 2.500 3.039 0.339 4 0 "[ . 1 . 2]" 1
420 1 80 VAL QG 1 114 TYR HA 4.150 . 6.500 4.859 4.685 4.959 . 0 0 "[ . 1 . 2]" 1
421 1 113 LYS HG2 1 114 TYR HA 3.900 . 6.000 5.601 4.817 6.043 0.043 19 0 "[ . 1 . 2]" 1
422 1 114 TYR HA 1 114 TYR QB 2.250 . 2.700 2.458 2.397 2.529 . 0 0 "[ . 1 . 2]" 1
423 1 4 ARG HG3 1 5 LYS HA 3.900 . 6.000 3.953 3.176 5.675 . 0 0 "[ . 1 . 2]" 1
424 1 111 VAL MG1 1 115 ALA MB 3.050 . 4.300 2.284 2.211 2.456 . 0 0 "[ . 1 . 2]" 1
425 1 80 VAL QG 1 115 ALA MB 3.050 . 4.300 2.008 1.926 2.145 . 0 0 "[ . 1 . 2]" 1
426 1 112 LYS HA 1 116 ASP HA 3.400 . 5.000 4.652 4.029 5.007 0.007 4 0 "[ . 1 . 2]" 1
427 1 115 ALA MB 1 116 ASP HA 4.150 . 6.500 3.976 3.809 4.115 . 0 0 "[ . 1 . 2]" 1
428 1 117 GLU QB 1 118 LYS HA 3.400 . 5.000 4.076 3.783 4.295 . 0 0 "[ . 1 . 2]" 1
429 1 122 PHE HA 1 122 PHE QE 3.900 . 6.000 4.630 4.454 4.749 . 0 0 "[ . 1 . 2]" 1
430 1 30 LYS HA 1 30 LYS QG . . 2.700 2.306 2.176 2.578 . 0 0 "[ . 1 . 2]" 1
431 1 118 LYS QB 1 118 LYS QG 2.250 . 2.700 2.093 2.024 2.110 . 0 0 "[ . 1 . 2]" 1
432 1 121 LYS HA 1 121 LYS QG 2.550 . 3.300 2.253 2.158 2.383 . 0 0 "[ . 1 . 2]" 1
433 1 122 PHE HA 1 122 PHE QB 2.250 . 2.700 2.326 2.309 2.345 . 0 0 "[ . 1 . 2]" 1
434 1 46 TYR HA 1 49 LYS QB 3.400 . 5.000 3.033 2.831 3.171 . 0 0 "[ . 1 . 2]" 1
435 1 119 ALA HA 1 122 PHE QB . . 3.300 2.874 2.787 2.986 . 0 0 "[ . 1 . 2]" 1
436 1 69 LEU QD 1 122 PHE HZ 4.150 . 6.500 2.819 2.685 3.034 . 0 0 "[ . 1 . 2]" 1
437 1 122 PHE QD 1 123 VAL QG 4.150 . 6.500 2.755 2.550 3.218 . 0 0 "[ . 1 . 2]" 1
438 1 67 LYS HA 1 67 LYS QB 2.250 . 2.700 2.165 2.095 2.234 . 0 0 "[ . 1 . 2]" 1
439 1 123 VAL HA 1 126 VAL QG 3.650 . 5.500 2.345 2.105 2.621 . 0 0 "[ . 1 . 2]" 1
440 1 123 VAL HA 1 123 VAL QG 2.500 . 3.200 2.107 2.079 2.135 . 0 0 "[ . 1 . 2]" 1
441 1 123 VAL HA 1 126 VAL HB 3.400 . 5.000 3.921 3.307 4.380 . 0 0 "[ . 1 . 2]" 1
442 1 122 PHE QD 1 123 VAL HA 3.900 . 6.000 3.051 2.583 3.843 . 0 0 "[ . 1 . 2]" 1
443 1 123 VAL MG1 1 123 VAL MG2 2.750 . 3.700 2.044 1.889 2.081 . 0 0 "[ . 1 . 2]" 1
444 1 123 VAL QG 1 127 LEU QD 4.400 . 6.000 2.596 1.999 3.396 . 0 0 "[ . 1 . 2]" 1
445 1 124 ASN HA 1 124 ASN QB 2.250 . 2.700 2.352 2.171 2.487 . 0 0 "[ . 1 . 2]" 1
446 1 123 VAL QG 1 124 ASN HA 3.650 . 5.500 2.364 2.228 2.553 . 0 0 "[ . 1 . 2]" 1
447 1 124 ASN HA 1 127 LEU QB 3.400 . 5.000 2.420 2.255 2.624 . 0 0 "[ . 1 . 2]" 1
448 1 123 VAL QG 1 124 ASN HA 3.650 . 5.500 3.363 2.909 3.630 . 0 0 "[ . 1 . 2]" 1
449 1 14 VAL H 1 14 VAL QG . . 3.200 1.610 1.512 1.715 0.288 18 0 "[ . 1 . 2]" 1
450 1 14 VAL QG 1 15 LEU H 4.150 . 6.500 2.618 1.788 2.926 0.012 3 0 "[ . 1 . 2]" 1
451 1 14 VAL MG2 1 29 PHE HA 3.650 . 5.500 4.165 3.730 4.567 . 0 0 "[ . 1 . 2]" 1
452 1 100 PRO HA 1 103 VAL QG 3.650 . 5.500 2.950 2.496 3.136 . 0 0 "[ . 1 . 2]" 1
453 1 68 HIS QB 1 126 VAL MG2 4.150 . 6.500 4.091 3.468 4.339 . 0 0 "[ . 1 . 2]" 1
454 1 135 ILE QG 1 135 ILE MG 2.500 . 3.200 2.176 2.104 2.290 . 0 0 "[ . 1 . 2]" 1
455 1 27 GLU HA 1 30 LYS QB 2.550 . 3.300 3.040 2.566 3.406 0.106 16 0 "[ . 1 . 2]" 1
456 1 122 PHE QE 1 126 VAL QG 3.650 . 5.500 2.542 2.204 2.863 . 0 0 "[ . 1 . 2]" 1
457 1 122 PHE QD 1 126 VAL QG 4.150 . 6.500 3.250 2.742 3.611 . 0 0 "[ . 1 . 2]" 1
458 1 123 VAL QG 1 126 VAL QG 4.150 . 6.500 2.789 2.644 2.892 . 0 0 "[ . 1 . 2]" 1
459 1 97 SER HA 1 98 LYS HB2 3.400 . 5.000 4.518 4.157 4.958 . 0 0 "[ . 1 . 2]" 1
460 1 127 LEU HA 1 127 LEU QB 2.550 . 3.300 2.331 2.030 2.499 . 0 0 "[ . 1 . 2]" 1
461 1 85 LEU MD1 1 127 LEU HB3 4.150 . 6.500 4.165 2.123 5.317 . 0 0 "[ . 1 . 2]" 1
462 1 30 LYS HA 1 30 LYS QB 2.250 . 2.700 2.433 2.351 2.546 . 0 0 "[ . 1 . 2]" 1
463 1 88 GLY H 1 127 LEU QD 3.650 . 5.500 3.375 2.960 3.694 . 0 0 "[ . 1 . 2]" 1
464 1 128 SER HA 1 128 SER QB 2.250 . 2.700 2.323 2.183 2.416 . 0 0 "[ . 1 . 2]" 1
465 1 69 LEU H 1 129 ALA MB 4.150 . 6.500 4.260 3.800 4.558 . 0 0 "[ . 1 . 2]" 1
466 1 126 VAL QG 1 129 ALA MB . . 4.300 2.708 2.557 2.800 . 0 0 "[ . 1 . 2]" 1
467 1 64 ILE MD 1 130 ILE HA 4.150 . 6.500 3.125 2.997 3.449 . 0 0 "[ . 1 . 2]" 1
468 1 42 ASP QB 1 43 ALA H 3.400 . 5.000 2.069 2.029 2.126 . 0 0 "[ . 1 . 2]" 1
469 1 130 ILE HA 1 130 ILE MG 2.800 . 3.200 2.505 2.421 2.561 . 0 0 "[ . 1 . 2]" 1
470 1 5 LYS QB 1 5 LYS QE 3.400 . 5.000 2.562 1.915 3.077 . 0 0 "[ . 1 . 2]" 1
471 1 132 LYS QD 1 133 ALA HA 3.900 . 6.000 4.429 2.872 5.432 . 0 0 "[ . 1 . 2]" 1
472 1 129 ALA H 1 129 ALA MB 2.800 . 3.800 1.881 1.845 1.944 . 0 0 "[ . 1 . 2]" 1
473 1 129 ALA MB 1 131 TYR HA 4.150 . 6.500 4.758 4.573 4.951 . 0 0 "[ . 1 . 2]" 1
474 1 135 ILE HB 1 135 ILE QG 2.250 . 2.700 2.325 2.183 2.447 . 0 0 "[ . 1 . 2]" 1
475 1 132 LYS HA 1 135 ILE QG 3.400 . 5.000 3.279 2.133 4.055 . 0 0 "[ . 1 . 2]" 1
476 1 109 ASP HB2 1 112 LYS HB2 3.900 . 6.000 3.206 2.220 3.646 . 0 0 "[ . 1 . 2]" 1
477 1 122 PHE QE 1 123 VAL QG 4.150 . 6.500 4.171 3.817 4.430 . 0 0 "[ . 1 . 2]" 1
478 1 81 GLU QG 1 123 VAL QG 3.650 . 5.500 2.625 1.838 3.758 . 0 0 "[ . 1 . 2]" 1
479 1 107 ILE H 1 107 ILE HG13 3.900 . 6.000 3.601 2.529 4.102 . 0 0 "[ . 1 . 2]" 1
480 1 107 ILE H 1 107 ILE HG12 3.900 . 6.000 3.581 2.592 4.078 . 0 0 "[ . 1 . 2]" 1
481 1 6 GLY HA2 1 9 ASP HB2 3.400 . 5.000 3.068 2.462 4.918 . 0 0 "[ . 1 . 2]" 1
482 1 119 ALA HA 1 122 PHE QD 3.900 . 6.000 4.551 4.073 4.837 . 0 0 "[ . 1 . 2]" 1
483 1 7 ALA HA 1 8 ARG HA 3.900 . 6.000 4.740 4.725 4.769 . 0 0 "[ . 1 . 2]" 1
484 1 7 ALA HA 1 10 THR MG 3.650 . 5.500 3.537 3.179 3.909 . 0 0 "[ . 1 . 2]" 1
485 1 7 ALA MB 1 46 TYR HA 3.650 . 5.500 4.387 4.262 4.585 . 0 0 "[ . 1 . 2]" 1
486 1 20 LEU HA 1 20 LEU QD 2.800 . 3.800 2.251 1.954 2.430 . 0 0 "[ . 1 . 2]" 1
487 1 4 ARG HA 1 7 ALA MB 2.800 . 3.200 2.428 2.294 2.547 . 0 0 "[ . 1 . 2]" 1
488 1 7 ALA MB 1 46 TYR HB3 2.800 . 3.800 2.390 2.186 2.712 . 0 0 "[ . 1 . 2]" 1
489 1 34 GLU HA 1 34 GLU QB 2.250 . 2.700 2.255 2.240 2.267 . 0 0 "[ . 1 . 2]" 1
490 1 27 GLU HA 1 27 GLU QB 2.250 . 2.700 2.469 2.419 2.538 . 0 0 "[ . 1 . 2]" 1
491 1 30 LYS HA 1 33 VAL MG2 2.800 . 3.200 2.024 1.991 2.070 . 0 0 "[ . 1 . 2]" 1
492 1 60 GLU HA 1 60 GLU QB 2.250 . 2.700 2.323 2.306 2.342 . 0 0 "[ . 1 . 2]" 1
493 1 8 ARG QB 1 8 ARG QD 2.550 . 3.300 2.295 2.114 2.523 . 0 0 "[ . 1 . 2]" 1
494 1 9 ASP HA 1 12 PHE H 3.400 . 5.000 4.016 3.850 4.111 . 0 0 "[ . 1 . 2]" 1
495 1 61 ILE HA 1 94 PHE QE 3.900 . 6.000 4.300 4.027 4.489 . 0 0 "[ . 1 . 2]" 1
496 1 32 VAL HA 1 35 GLU HB2 2.550 . 3.300 2.966 2.413 3.303 0.003 9 0 "[ . 1 . 2]" 1
497 1 32 VAL HA 1 35 GLU HG2 3.400 . 5.000 4.729 4.238 5.028 0.028 2 0 "[ . 1 . 2]" 1
498 1 31 GLU QB 1 32 VAL HA 3.900 . 6.000 3.870 3.644 4.085 . 0 0 "[ . 1 . 2]" 1
499 1 53 THR HB 1 95 LEU MD2 3.650 . 5.500 3.583 3.099 4.173 . 0 0 "[ . 1 . 2]" 1
500 1 14 VAL QG 1 29 PHE QD 4.150 . 5.500 2.362 2.182 2.649 . 0 0 "[ . 1 . 2]" 1
501 1 10 THR HA 1 10 THR MG 2.500 . 3.200 2.382 2.261 2.549 . 0 0 "[ . 1 . 2]" 1
502 1 17 ARG QD 1 28 LEU QD 3.650 . 5.500 3.314 1.933 4.042 . 0 0 "[ . 1 . 2]" 1
503 1 14 VAL MG2 1 15 LEU HB2 3.650 . 5.500 4.446 3.873 4.518 . 0 0 "[ . 1 . 2]" 1
504 1 11 ALA HA 1 14 VAL H 3.900 . 6.000 3.639 3.558 3.725 . 0 0 "[ . 1 . 2]" 1
505 1 11 ALA HA 1 14 VAL HB 3.400 . 5.000 4.067 3.659 5.023 0.023 7 0 "[ . 1 . 2]" 1
506 1 53 THR H 1 53 THR MG 3.650 . 5.500 3.288 3.225 3.331 . 0 0 "[ . 1 . 2]" 1
507 1 11 ALA MB 1 12 PHE H 2.800 . 3.800 2.436 2.354 2.546 . 0 0 "[ . 1 . 2]" 1
508 1 53 THR MG 1 94 PHE QD 4.150 . 6.500 3.229 2.367 3.682 . 0 0 "[ . 1 . 2]" 1
509 1 84 ALA HA 1 85 LEU QD 4.150 . 6.500 2.226 2.105 2.366 . 0 0 "[ . 1 . 2]" 1
510 1 92 LEU HA 1 92 LEU QD 2.800 . 3.800 1.991 1.874 2.295 . 0 0 "[ . 1 . 2]" 1
511 1 85 LEU QD 1 86 ARG QG 4.150 . 6.500 3.081 2.007 4.285 . 0 0 "[ . 1 . 2]" 1
512 1 11 ALA MB 1 50 LEU QD 3.050 . 3.700 2.366 2.253 2.422 . 0 0 "[ . 1 . 2]" 1
513 1 12 PHE HA 1 12 PHE QD 3.400 . 5.000 3.435 3.308 3.611 . 0 0 "[ . 1 . 2]" 1
514 1 80 VAL QG 1 114 TYR HB2 3.650 . 5.500 2.996 2.765 3.220 . 0 0 "[ . 1 . 2]" 1
515 1 61 ILE MG 1 130 ILE MD 2.750 . 3.700 2.617 2.554 2.663 . 0 0 "[ . 1 . 2]" 1
516 1 12 PHE QD 1 110 LEU QD 4.150 . 6.500 2.299 2.039 2.717 . 0 0 "[ . 1 . 2]" 1
517 1 12 PHE QD 1 13 LEU HA 3.400 . 5.000 3.260 2.971 3.479 . 0 0 "[ . 1 . 2]" 1
518 1 13 LEU HA 1 13 LEU QD 3.650 . 3.800 2.956 2.122 3.133 . 0 0 "[ . 1 . 2]" 1
519 1 15 LEU QD 1 86 ARG H 4.150 . 6.500 4.330 3.584 4.720 . 0 0 "[ . 1 . 2]" 1
520 1 13 LEU QD 1 36 LYS QE 3.650 . 5.500 3.420 2.075 4.157 . 0 0 "[ . 1 . 2]" 1
521 1 13 LEU QB 1 14 VAL HA 3.900 . 6.000 4.296 3.819 4.399 . 0 0 "[ . 1 . 2]" 1
522 1 14 VAL HA 1 15 LEU HB2 3.900 . 6.000 2.708 2.533 2.901 . 0 0 "[ . 1 . 2]" 1
523 1 66 GLU H 1 66 GLU QB 3.400 . 5.000 2.282 2.124 2.423 . 0 0 "[ . 1 . 2]" 1
524 1 14 VAL H 1 14 VAL HB 3.900 . 6.000 3.028 2.898 3.581 . 0 0 "[ . 1 . 2]" 1
525 1 62 ASP HA 1 74 ILE MD 2.800 . 3.800 3.027 2.865 3.116 . 0 0 "[ . 1 . 2]" 1
526 1 111 VAL H 1 111 VAL HB 2.550 . 3.300 2.071 2.053 2.104 . 0 0 "[ . 1 . 2]" 1
527 1 51 VAL QG 1 52 ASP H 3.650 . 5.500 2.491 1.896 3.293 . 0 0 "[ . 1 . 2]" 1
528 1 14 VAL QG 1 15 LEU H 4.150 . 6.500 2.476 1.784 2.784 0.016 3 0 "[ . 1 . 2]" 1
529 1 14 VAL QG 1 47 ALA MB 3.650 . 5.500 3.423 2.990 3.866 . 0 0 "[ . 1 . 2]" 1
530 1 14 VAL MG2 1 51 VAL MG2 3.050 . 4.300 2.305 2.007 2.805 . 0 0 "[ . 1 . 2]" 1
531 1 15 LEU HA 1 18 TRP QB 3.900 . 6.000 2.745 2.351 3.138 . 0 0 "[ . 1 . 2]" 1
532 1 15 LEU HA 1 15 LEU QD 2.500 . 3.200 1.960 1.882 2.160 . 0 0 "[ . 1 . 2]" 1
533 1 91 GLU HA 1 95 LEU QB 3.400 . 5.000 2.096 1.940 2.318 . 0 0 "[ . 1 . 2]" 1
534 1 12 PHE H 1 110 LEU QD 4.150 . 6.500 3.229 2.709 4.108 . 0 0 "[ . 1 . 2]" 1
535 1 15 LEU H 1 15 LEU QD 2.800 . 3.800 2.601 2.360 3.131 . 0 0 "[ . 1 . 2]" 1
536 1 15 LEU QD 1 18 TRP QB 3.650 . 5.500 2.978 2.577 3.711 . 0 0 "[ . 1 . 2]" 1
537 1 13 LEU HA 1 16 TYR QB 3.900 . 6.000 2.396 2.167 2.714 . 0 0 "[ . 1 . 2]" 1
538 1 81 GLU HA 1 81 GLU QG 3.400 . 5.000 2.889 2.310 3.358 . 0 0 "[ . 1 . 2]" 1
539 1 81 GLU QB 1 81 GLU QG 2.250 . 2.700 2.033 1.947 2.106 . 0 0 "[ . 1 . 2]" 1
540 1 16 TYR QD 1 80 VAL HA 3.400 . 5.000 2.518 2.172 4.053 . 0 0 "[ . 1 . 2]" 1
541 1 16 TYR QD 1 19 ASP QB 3.900 . 6.000 3.950 2.451 4.217 . 0 0 "[ . 1 . 2]" 1
542 1 16 TYR QD 1 79 TYR HB3 3.900 . 6.000 4.465 3.774 4.810 . 0 0 "[ . 1 . 2]" 1
543 1 12 PHE QD 1 13 LEU QB 3.900 . 6.000 2.258 1.973 2.568 . 0 0 "[ . 1 . 2]" 1
544 1 97 SER QB 1 103 VAL QG 4.150 . 6.500 2.936 2.201 5.043 . 0 0 "[ . 1 . 2]" 1
545 1 92 LEU HA 1 97 SER HB3 3.400 . 5.000 4.895 4.128 5.016 0.016 15 0 "[ . 1 . 2]" 1
546 1 86 ARG HA 1 89 VAL HB 3.900 . 6.000 4.343 4.250 4.422 . 0 0 "[ . 1 . 2]" 1
547 1 16 TYR QD 1 17 ARG HA 3.900 . 6.000 3.322 2.867 4.405 . 0 0 "[ . 1 . 2]" 1
548 1 17 ARG HA 1 17 ARG QD 3.900 . 5.000 2.711 2.255 4.052 . 0 0 "[ . 1 . 2]" 1
549 1 17 ARG QB 1 17 ARG QD . . 3.300 2.251 2.123 2.355 . 0 0 "[ . 1 . 2]" 1
550 1 51 VAL HB 1 52 ASP H 3.400 . 5.000 3.553 2.763 4.190 . 0 0 "[ . 1 . 2]" 1
551 1 18 TRP HA 1 22 GLY QA 3.400 . 5.000 2.347 2.151 3.819 . 0 0 "[ . 1 . 2]" 1
552 1 18 TRP HA 1 18 TRP QB 2.550 . 3.300 2.389 2.289 2.545 . 0 0 "[ . 1 . 2]" 1
553 1 15 LEU HA 1 18 TRP HE3 3.900 . 6.000 5.640 5.151 6.006 0.006 9 0 "[ . 1 . 2]" 1
554 1 20 LEU HA 1 20 LEU QB 2.550 . 2.700 2.462 2.438 2.545 . 0 0 "[ . 1 . 2]" 1
555 1 65 ILE HA 1 65 ILE MD 3.650 . 3.800 2.185 2.141 2.252 . 0 0 "[ . 1 . 2]" 1
556 1 58 ILE HG12 1 58 ILE MG 2.500 . 3.200 2.276 2.074 2.469 . 0 0 "[ . 1 . 2]" 1
557 1 61 ILE HA 1 61 ILE MG 2.800 . 3.800 2.345 2.276 2.392 . 0 0 "[ . 1 . 2]" 1
558 1 21 ARG HA 1 21 ARG QB 2.250 . 2.700 2.517 2.448 2.550 . 0 0 "[ . 1 . 2]" 1
559 1 21 ARG HA 1 21 ARG QG . . 3.300 2.294 2.160 2.631 . 0 0 "[ . 1 . 2]" 1
560 1 49 LYS QE 1 95 LEU HG 3.900 . 6.000 5.143 4.591 5.396 . 0 0 "[ . 1 . 2]" 1
561 1 38 ILE HB 1 38 ILE HG13 2.550 . 3.300 2.469 2.435 2.512 . 0 0 "[ . 1 . 2]" 1
562 1 23 GLU HA 1 23 GLU QB 2.250 . 2.700 2.374 2.175 2.518 . 0 0 "[ . 1 . 2]" 1
563 1 23 GLU HA 1 28 LEU QD 4.150 . 6.500 4.698 3.476 5.246 . 0 0 "[ . 1 . 2]" 1
564 1 45 GLU HA 1 48 LYS QB 3.400 . 5.000 2.806 2.605 3.026 . 0 0 "[ . 1 . 2]" 1
565 1 23 GLU QB 1 23 GLU QG 2.250 . 2.700 2.100 2.060 2.109 . 0 0 "[ . 1 . 2]" 1
566 1 23 GLU QB 1 28 LEU QD 3.650 . 5.500 3.271 2.167 4.543 . 0 0 "[ . 1 . 2]" 1
567 1 38 ILE HA 1 38 ILE HB 2.250 . 2.700 2.984 2.978 2.989 0.289 19 0 "[ . 1 . 2]" 1
568 1 33 VAL QG 1 38 ILE HB 3.650 . 5.500 2.188 2.039 2.338 . 0 0 "[ . 1 . 2]" 1
569 1 24 ASN HA 1 24 ASN QB 2.550 . 3.300 2.411 2.275 2.543 . 0 0 "[ . 1 . 2]" 1
570 1 44 TYR QD 1 45 GLU QG 3.900 . 6.000 4.472 2.790 5.239 . 0 0 "[ . 1 . 2]" 1
571 1 16 TYR QD 1 83 ASN QB 3.900 . 6.000 3.159 2.391 3.852 . 0 0 "[ . 1 . 2]" 1
572 1 24 ASN QB 1 25 PRO HA 3.900 . 6.000 3.252 3.122 3.457 . 0 0 "[ . 1 . 2]" 1
573 1 24 ASN QB 1 25 PRO QD 3.900 . 6.000 3.571 3.397 3.756 . 0 0 "[ . 1 . 2]" 1
574 1 24 ASN HB3 1 27 GLU QB 2.550 . 3.300 2.504 2.269 2.971 . 0 0 "[ . 1 . 2]" 1
575 1 24 ASN QB 1 27 GLU QB 3.400 . 5.000 2.437 2.193 2.895 . 0 0 "[ . 1 . 2]" 1
576 1 64 ILE HA 1 64 ILE MG 2.500 . 3.200 2.592 2.555 2.697 . 0 0 "[ . 1 . 2]" 1
577 1 25 PRO QB 1 55 VAL QG 4.150 . 6.500 3.179 2.628 3.549 . 0 0 "[ . 1 . 2]" 1
578 1 64 ILE HA 1 64 ILE QG 2.550 . 3.300 2.246 2.234 2.272 . 0 0 "[ . 1 . 2]" 1
579 1 25 PRO QB 1 51 VAL MG1 3.650 . 5.500 2.911 2.269 3.845 . 0 0 "[ . 1 . 2]" 1
580 1 24 ASN HA 1 25 PRO QD 2.550 . 3.300 2.068 2.000 2.232 . 0 0 "[ . 1 . 2]" 1
581 1 25 PRO QG 1 55 VAL QG 3.650 . 5.500 2.230 1.858 2.452 . 0 0 "[ . 1 . 2]" 1
582 1 26 GLY HA2 1 29 PHE QB 3.400 . 5.000 2.679 2.394 3.160 . 0 0 "[ . 1 . 2]" 1
583 1 26 GLY QA 1 29 PHE QB 3.900 . 6.000 2.642 2.370 3.097 . 0 0 "[ . 1 . 2]" 1
584 1 24 ASN QB 1 27 GLU HA 3.900 . 6.000 4.291 2.645 5.117 . 0 0 "[ . 1 . 2]" 1
585 1 27 GLU HA 1 27 GLU QG 3.400 . 5.000 2.314 2.166 2.645 . 0 0 "[ . 1 . 2]" 1
586 1 52 ASP H 1 52 ASP HA 2.550 . 3.300 2.795 2.775 2.812 . 0 0 "[ . 1 . 2]" 1
587 1 52 ASP HA 1 55 VAL H 3.400 . 5.000 2.748 2.630 2.860 . 0 0 "[ . 1 . 2]" 1
588 1 64 ILE HA 1 64 ILE MD 4.150 . 6.500 3.679 2.344 3.765 . 0 0 "[ . 1 . 2]" 1
589 1 110 LEU H 1 110 LEU HG 3.400 . 5.000 3.300 3.205 3.620 . 0 0 "[ . 1 . 2]" 1
590 1 18 TRP QB 1 28 LEU QD 4.150 . 6.500 3.625 2.766 4.415 . 0 0 "[ . 1 . 2]" 1
591 1 14 VAL HA 1 32 VAL QG 3.650 . 5.500 2.152 2.080 2.335 . 0 0 "[ . 1 . 2]" 1
592 1 29 PHE HA 1 29 PHE QD 2.550 . 3.300 2.294 2.181 2.423 . 0 0 "[ . 1 . 2]" 1
593 1 15 LEU HA 1 28 LEU QD 4.150 . 6.500 3.892 2.744 4.810 . 0 0 "[ . 1 . 2]" 1
594 1 17 ARG H 1 32 VAL MG2 4.150 . 6.500 1.766 1.734 1.795 0.066 20 0 "[ . 1 . 2]" 1
595 1 10 THR HA 1 11 ALA MB 3.650 . 6.500 4.925 4.906 4.954 . 0 0 "[ . 1 . 2]" 1
596 1 29 PHE HA 1 29 PHE QB 2.550 . 3.300 2.521 2.493 2.533 . 0 0 "[ . 1 . 2]" 1
597 1 28 LEU QD 1 29 PHE HA 3.650 . 5.500 3.623 3.596 3.693 . 0 0 "[ . 1 . 2]" 1
598 1 61 ILE H 1 61 ILE MG 3.650 . 5.500 3.763 3.743 3.788 . 0 0 "[ . 1 . 2]" 1
599 1 14 VAL MG2 1 29 PHE HB2 4.150 . 6.500 4.248 2.823 4.912 . 0 0 "[ . 1 . 2]" 1
600 1 3 TYR QD 1 43 ALA HA 3.400 . 5.000 2.496 2.319 2.939 . 0 0 "[ . 1 . 2]" 1
601 1 105 ILE HA 1 105 ILE MG 2.500 . 3.200 2.583 2.536 2.610 . 0 0 "[ . 1 . 2]" 1
602 1 61 ILE MG 1 94 PHE QD 4.150 . 6.500 3.211 2.831 3.542 . 0 0 "[ . 1 . 2]" 1
603 1 69 LEU QD 1 122 PHE QE 3.650 . 5.500 3.583 3.478 3.716 . 0 0 "[ . 1 . 2]" 1
604 1 30 LYS HA 1 33 VAL QG 3.650 . 5.500 2.020 1.987 2.067 . 0 0 "[ . 1 . 2]" 1
605 1 17 ARG H 1 17 ARG QG 3.900 . 6.000 3.576 2.640 3.958 . 0 0 "[ . 1 . 2]" 1
606 1 15 LEU HA 1 16 TYR H 3.900 . 6.000 3.142 3.133 3.151 . 0 0 "[ . 1 . 2]" 1
607 1 31 GLU HA 1 31 GLU QB 2.550 . 2.700 2.391 2.315 2.443 . 0 0 "[ . 1 . 2]" 1
608 1 31 GLU HB3 1 33 VAL MG2 4.150 . 6.500 5.170 5.126 5.214 . 0 0 "[ . 1 . 2]" 1
609 1 61 ILE HA 1 64 ILE H 3.900 . 6.000 3.078 3.019 3.110 . 0 0 "[ . 1 . 2]" 1
610 1 10 THR HA 1 10 THR MG 2.500 . 3.200 2.278 2.176 2.401 . 0 0 "[ . 1 . 2]" 1
611 1 29 PHE HA 1 32 VAL HB 3.400 . 5.000 4.409 4.319 4.493 . 0 0 "[ . 1 . 2]" 1
612 1 33 VAL HA 1 33 VAL HB 2.250 . 2.700 2.908 2.882 2.931 0.231 17 0 "[ . 1 . 2]" 1
613 1 32 VAL QG 1 33 VAL HA 2.800 . 3.800 2.850 2.839 2.862 . 0 0 "[ . 1 . 2]" 1
614 1 103 VAL QG 1 107 ILE HB 4.150 . 6.500 4.023 3.629 4.368 . 0 0 "[ . 1 . 2]" 1
615 1 30 LYS HA 1 33 VAL HB 3.400 . 5.000 3.945 3.756 4.050 . 0 0 "[ . 1 . 2]" 1
616 1 29 PHE HA 1 33 VAL QG 4.150 . 6.500 3.171 3.048 3.295 . 0 0 "[ . 1 . 2]" 1
617 1 29 PHE HA 1 33 VAL MG1 4.150 . 6.500 3.348 3.273 3.420 . 0 0 "[ . 1 . 2]" 1
618 1 33 VAL MG1 1 33 VAL MG2 2.750 . 3.700 2.073 2.063 2.079 . 0 0 "[ . 1 . 2]" 1
619 1 90 ALA MB 1 103 VAL MG1 4.400 . 8.000 5.460 5.354 5.518 . 0 0 "[ . 1 . 2]" 1
620 1 41 LYS HA 1 44 TYR QE 3.900 . 6.000 4.225 3.815 4.437 . 0 0 "[ . 1 . 2]" 1
621 1 35 GLU HA 1 35 GLU QB 2.250 . 2.700 2.458 2.387 2.542 . 0 0 "[ . 1 . 2]" 1
622 1 35 GLU HA 1 35 GLU QB 2.250 . 2.700 2.174 2.146 2.215 . 0 0 "[ . 1 . 2]" 1
623 1 15 LEU QD 1 86 ARG QD 3.650 . 5.500 3.587 3.061 4.029 . 0 0 "[ . 1 . 2]" 1
624 1 60 GLU QB 1 61 ILE H 3.400 . 5.000 2.712 2.666 2.740 . 0 0 "[ . 1 . 2]" 1
625 1 80 VAL HB 1 115 ALA MB 3.650 . 5.500 2.272 2.124 2.500 . 0 0 "[ . 1 . 2]" 1
626 1 105 ILE HA 1 105 ILE MD 2.800 . 3.800 2.300 2.267 2.367 . 0 0 "[ . 1 . 2]" 1
627 1 36 LYS HA 1 36 LYS QG 2.250 . 2.700 2.169 2.103 2.228 . 0 0 "[ . 1 . 2]" 1
628 1 35 GLU HB3 1 36 LYS HA 3.400 . 5.000 4.149 3.986 4.271 . 0 0 "[ . 1 . 2]" 1
629 1 36 LYS HA 1 36 LYS QE 3.400 . 5.000 4.088 3.334 4.331 . 0 0 "[ . 1 . 2]" 1
630 1 36 LYS HA 1 36 LYS QD 3.400 . 5.000 3.587 2.292 4.047 . 0 0 "[ . 1 . 2]" 1
631 1 36 LYS QD 1 36 LYS QE 2.250 . 2.700 2.075 1.991 2.108 . 0 0 "[ . 1 . 2]" 1
632 1 39 LYS QB 1 39 LYS QD 2.550 . 3.300 2.176 2.118 2.327 . 0 0 "[ . 1 . 2]" 1
633 1 35 GLU HB3 1 36 LYS HD2 3.900 . 6.000 5.425 3.479 6.037 0.037 8 0 "[ . 1 . 2]" 1
634 1 13 LEU QD 1 36 LYS HD2 3.650 . 5.500 3.191 2.526 4.408 . 0 0 "[ . 1 . 2]" 1
635 1 49 LYS QB 1 50 LEU H 3.900 . 6.000 2.660 2.580 2.763 . 0 0 "[ . 1 . 2]" 1
636 1 55 VAL H 1 55 VAL QG 2.800 . 3.800 1.982 1.888 2.146 . 0 0 "[ . 1 . 2]" 1
637 1 38 ILE HA 1 38 ILE MD 2.800 . 3.800 2.067 2.018 2.188 . 0 0 "[ . 1 . 2]" 1
638 1 36 LYS QE 1 36 LYS QG 2.550 . 3.300 2.177 2.105 2.442 . 0 0 "[ . 1 . 2]" 1
639 1 132 LYS HA 1 132 LYS QG . . 3.300 2.459 2.225 3.040 . 0 0 "[ . 1 . 2]" 1
640 1 37 ASN HA 1 37 ASN QB 2.250 . 2.700 2.398 2.164 2.446 . 0 0 "[ . 1 . 2]" 1
641 1 38 ILE HA 1 38 ILE MG 2.500 . 3.200 2.353 2.181 2.427 . 0 0 "[ . 1 . 2]" 1
642 1 76 ARG HA 1 76 ARG QG . . 3.300 2.382 2.133 2.940 . 0 0 "[ . 1 . 2]" 1
643 1 33 VAL QG 1 38 ILE MG 3.900 . 6.000 3.002 2.855 3.177 . 0 0 "[ . 1 . 2]" 1
644 1 38 ILE MD 1 38 ILE MG 2.750 . 3.700 1.922 1.841 1.986 . 0 0 "[ . 1 . 2]" 1
645 1 38 ILE HG13 1 38 ILE MG 2.500 . 3.200 2.288 2.242 2.365 . 0 0 "[ . 1 . 2]" 1
646 1 33 VAL HA 1 38 ILE MD 4.150 . 6.500 4.001 3.662 4.532 . 0 0 "[ . 1 . 2]" 1
647 1 39 LYS HA 1 39 LYS QB 2.550 . 2.700 2.411 2.180 2.539 . 0 0 "[ . 1 . 2]" 1
648 1 39 LYS QD 1 39 LYS QG 2.250 . 2.700 2.088 2.020 2.110 . 0 0 "[ . 1 . 2]" 1
649 1 5 LYS QB 1 6 GLY H 3.400 . 5.000 2.594 2.488 2.695 . 0 0 "[ . 1 . 2]" 1
650 1 47 ALA HA 1 48 LYS H 2.550 . 3.300 3.504 3.492 3.513 0.213 12 0 "[ . 1 . 2]" 1
651 1 46 TYR HA 1 49 LYS H 3.900 . 6.000 3.616 3.548 3.691 . 0 0 "[ . 1 . 2]" 1
652 1 49 LYS H 1 50 LEU QB 3.900 . 6.000 4.371 4.322 4.423 . 0 0 "[ . 1 . 2]" 1
653 1 11 ALA MB 1 51 VAL H 4.150 . 6.500 3.744 3.213 4.110 . 0 0 "[ . 1 . 2]" 1
654 1 51 VAL HA 1 54 ALA H 3.900 . 6.000 3.337 3.202 3.461 . 0 0 "[ . 1 . 2]" 1
655 1 54 ALA H 1 90 ALA MB 3.650 . 5.500 2.824 2.675 3.000 . 0 0 "[ . 1 . 2]" 1
656 1 54 ALA H 1 61 ILE MD 4.150 . 6.500 4.742 4.525 4.925 . 0 0 "[ . 1 . 2]" 1
657 1 38 ILE H 1 38 ILE MD 2.800 . 3.800 3.088 2.952 3.190 . 0 0 "[ . 1 . 2]" 1
658 1 58 ILE MG 1 59 GLU H 2.500 . 3.200 1.980 1.544 2.235 0.256 19 0 "[ . 1 . 2]" 1
659 1 59 GLU QB 1 60 GLU H 2.250 . 2.700 2.486 2.399 2.608 . 0 0 "[ . 1 . 2]" 1
660 1 10 THR H 1 47 ALA MB 4.150 . 6.500 4.373 4.151 4.563 . 0 0 "[ . 1 . 2]" 1
661 1 59 GLU HA 1 62 ASP H 3.400 . 5.000 3.350 3.291 3.423 . 0 0 "[ . 1 . 2]" 1
662 1 62 ASP H 1 63 SER QB 3.900 . 6.000 4.369 4.322 4.404 . 0 0 "[ . 1 . 2]" 1
663 1 61 ILE HB 1 62 ASP H 2.250 . 2.700 2.432 2.357 2.515 . 0 0 "[ . 1 . 2]" 1
664 1 63 SER H 1 66 GLU HB2 3.900 . 6.000 4.865 4.536 5.284 . 0 0 "[ . 1 . 2]" 1
665 1 63 SER HB3 1 64 ILE H 2.550 . 3.300 2.512 2.460 2.570 . 0 0 "[ . 1 . 2]" 1
666 1 61 ILE HA 1 64 ILE H 3.900 . 6.000 3.115 3.043 3.154 . 0 0 "[ . 1 . 2]" 1
667 1 67 LYS QB 1 68 HIS H 3.400 . 5.000 2.846 2.660 2.932 . 0 0 "[ . 1 . 2]" 1
668 1 67 LYS QB 1 68 HIS H 3.400 . 5.000 2.905 2.730 3.001 . 0 0 "[ . 1 . 2]" 1
669 1 66 GLU HA 1 69 LEU H 3.400 . 5.000 3.036 2.927 3.223 . 0 0 "[ . 1 . 2]" 1
670 1 8 ARG HA 1 11 ALA H 3.900 . 6.000 3.555 3.428 3.654 . 0 0 "[ . 1 . 2]" 1
671 1 70 LYS HA 1 71 GLY H 3.900 . 6.000 3.015 2.173 3.580 . 0 0 "[ . 1 . 2]" 1
672 1 10 THR HA 1 11 ALA H 3.400 . 5.000 3.442 3.430 3.452 . 0 0 "[ . 1 . 2]" 1
673 1 73 SER QB 1 75 ASP H 3.400 . 5.000 2.718 2.287 3.270 . 0 0 "[ . 1 . 2]" 1
674 1 74 ILE HA 1 75 ASP H 3.400 . 5.000 3.442 3.415 3.517 . 0 0 "[ . 1 . 2]" 1
675 1 75 ASP HA 1 76 ARG H 3.900 . 6.000 3.462 3.443 3.526 . 0 0 "[ . 1 . 2]" 1
676 1 69 LEU QD 1 76 ARG H 3.650 . 5.500 4.145 4.061 4.193 . 0 0 "[ . 1 . 2]" 1
677 1 76 ARG HA 1 77 LEU H 3.900 . 6.000 2.629 2.145 3.479 . 0 0 "[ . 1 . 2]" 1
678 1 77 LEU QD 1 78 GLY H 4.150 . 6.500 2.753 1.586 3.770 0.214 4 0 "[ . 1 . 2]" 1
679 1 10 THR MG 1 11 ALA H 3.650 . 5.500 3.979 3.458 4.141 . 0 0 "[ . 1 . 2]" 1
680 1 83 ASN H 1 83 ASN HD22 3.400 . 5.000 3.764 2.592 5.057 0.057 5 0 "[ . 1 . 2]" 1
681 1 82 ARG HB3 1 83 ASN H 2.550 . 3.300 2.497 2.356 2.918 . 0 0 "[ . 1 . 2]" 1
682 1 83 ASN H 1 84 ALA MB 4.150 . 6.500 4.183 4.077 4.319 . 0 0 "[ . 1 . 2]" 1
683 1 83 ASN QB 1 84 ALA H 3.900 . 6.000 2.815 2.385 3.314 . 0 0 "[ . 1 . 2]" 1
684 1 11 ALA H 1 47 ALA MB 4.150 . 6.500 3.941 3.641 4.228 . 0 0 "[ . 1 . 2]" 1
685 1 84 ALA H 1 85 LEU QD 4.150 . 6.500 5.022 4.098 5.522 . 0 0 "[ . 1 . 2]" 1
686 1 83 ASN HA 1 86 ARG H 3.900 . 6.000 3.493 3.308 3.655 . 0 0 "[ . 1 . 2]" 1
687 1 85 LEU HA 1 88 GLY H 3.400 . 5.000 3.427 3.223 3.606 . 0 0 "[ . 1 . 2]" 1
688 1 87 LEU QB 1 88 GLY H 3.400 . 5.000 3.177 2.559 3.397 . 0 0 "[ . 1 . 2]" 1
689 1 87 LEU QD 1 88 GLY H 3.650 . 5.500 3.390 3.213 3.983 . 0 0 "[ . 1 . 2]" 1
690 1 90 ALA H 1 130 ILE MD 3.650 . 6.500 5.241 5.122 5.366 . 0 0 "[ . 1 . 2]" 1
691 1 89 VAL HA 1 92 LEU H 3.900 . 6.000 3.204 3.042 3.331 . 0 0 "[ . 1 . 2]" 1
692 1 92 LEU H 1 95 LEU QD 4.150 . 6.500 3.999 3.482 4.294 . 0 0 "[ . 1 . 2]" 1
693 1 93 ILE HB 1 94 PHE H 2.250 . 2.700 2.790 2.756 2.813 0.113 20 0 "[ . 1 . 2]" 1
694 1 89 VAL MG2 1 94 PHE H 3.650 . 5.500 4.385 4.170 4.588 . 0 0 "[ . 1 . 2]" 1
695 1 93 ILE MG 1 94 PHE H 4.150 . 6.500 3.927 3.858 4.003 . 0 0 "[ . 1 . 2]" 1
696 1 94 PHE HA 1 95 LEU H 2.550 . 3.300 3.487 3.474 3.511 0.211 18 0 "[ . 1 . 2]" 1
697 1 95 LEU HA 1 96 LYS H 3.900 . 6.000 3.407 3.186 3.446 . 0 0 "[ . 1 . 2]" 1
698 1 95 LEU HB3 1 97 SER H 3.400 . 5.000 3.210 2.170 3.770 . 0 0 "[ . 1 . 2]" 1
699 1 97 SER HA 1 98 LYS H 2.550 . 3.300 2.499 2.246 3.332 0.032 1 0 "[ . 1 . 2]" 1
700 1 4 ARG HA 1 7 ALA H 3.400 . 5.000 3.228 3.072 3.418 . 0 0 "[ . 1 . 2]" 1
701 1 97 SER HB3 1 99 GLU H 3.400 . 5.000 3.968 3.165 4.643 . 0 0 "[ . 1 . 2]" 1
702 1 102 ARG H 1 102 ARG HB2 2.250 . 2.700 2.175 2.085 2.345 . 0 0 "[ . 1 . 2]" 1
703 1 102 ARG H 1 103 VAL QG 4.150 . 6.500 4.465 4.232 4.599 . 0 0 "[ . 1 . 2]" 1
704 1 100 PRO HA 1 103 VAL H 3.400 . 5.000 3.496 3.314 3.637 . 0 0 "[ . 1 . 2]" 1
705 1 102 ARG HA 1 103 VAL H 3.900 . 6.000 3.538 3.518 3.565 . 0 0 "[ . 1 . 2]" 1
706 1 102 ARG QB 1 103 VAL H 3.400 . 5.000 2.739 2.538 2.839 . 0 0 "[ . 1 . 2]" 1
707 1 12 PHE H 1 13 LEU QD 4.150 . 6.500 5.008 4.870 5.379 . 0 0 "[ . 1 . 2]" 1
708 1 102 ARG HA 1 105 ILE H 3.900 . 6.000 3.503 3.297 3.612 . 0 0 "[ . 1 . 2]" 1
709 1 106 ASP QB 1 107 ILE H 3.400 . 5.000 2.451 2.342 2.563 . 0 0 "[ . 1 . 2]" 1
710 1 105 ILE HA 1 108 VAL H 3.900 . 6.000 3.438 3.299 3.601 . 0 0 "[ . 1 . 2]" 1
711 1 107 ILE MG 1 108 VAL H 3.650 . 5.500 2.816 2.645 2.930 . 0 0 "[ . 1 . 2]" 1
712 1 109 ASP HB3 1 110 LEU H 2.550 . 3.300 2.702 2.493 3.339 0.039 3 0 "[ . 1 . 2]" 1
713 1 108 VAL HA 1 111 VAL H 3.400 . 5.000 3.093 2.998 3.249 . 0 0 "[ . 1 . 2]" 1
714 1 61 ILE MG 1 86 ARG H 3.650 . 5.500 3.959 2.228 4.276 . 0 0 "[ . 1 . 2]" 1
715 1 111 VAL MG1 1 112 LYS H 2.500 . 3.200 2.278 2.138 2.358 . 0 0 "[ . 1 . 2]" 1
716 1 110 LEU HA 1 113 LYS H 3.400 . 5.000 3.600 3.273 3.700 . 0 0 "[ . 1 . 2]" 1
717 1 112 LYS HA 1 113 LYS H 2.550 . 3.300 3.480 3.474 3.486 0.186 11 0 "[ . 1 . 2]" 1
718 1 12 PHE QB 1 13 LEU H 3.400 . 5.000 3.154 3.086 3.211 . 0 0 "[ . 1 . 2]" 1
719 1 113 LYS QB 1 114 TYR H 2.250 . 2.700 2.522 2.355 2.613 . 0 0 "[ . 1 . 2]" 1
720 1 113 LYS QG 1 114 TYR H 3.900 . 6.000 4.317 4.184 4.439 . 0 0 "[ . 1 . 2]" 1
721 1 111 VAL HA 1 115 ALA H 3.400 . 5.000 2.968 2.683 3.436 . 0 0 "[ . 1 . 2]" 1
722 1 114 TYR QB 1 115 ALA H 3.900 . 6.000 2.133 1.973 2.264 . 0 0 "[ . 1 . 2]" 1
723 1 116 ASP HA 1 117 GLU H 3.400 . 5.000 2.253 2.158 2.358 . 0 0 "[ . 1 . 2]" 1
724 1 116 ASP QB 1 118 LYS H 3.400 . 5.000 2.845 2.429 3.559 . 0 0 "[ . 1 . 2]" 1
725 1 116 ASP H 1 119 ALA H 3.900 . 6.000 4.524 4.099 4.867 . 0 0 "[ . 1 . 2]" 1
726 1 118 LYS HA 1 119 ALA H 3.900 . 6.000 3.521 3.484 3.547 . 0 0 "[ . 1 . 2]" 1
727 1 117 GLU HA 1 120 GLY H 3.400 . 5.000 3.230 3.121 3.430 . 0 0 "[ . 1 . 2]" 1
728 1 119 ALA MB 1 120 GLY H 2.500 . 3.200 2.627 2.537 2.721 . 0 0 "[ . 1 . 2]" 1
729 1 121 LYS QB 1 122 PHE H 2.250 . 2.700 2.493 2.392 2.589 . 0 0 "[ . 1 . 2]" 1
730 1 123 VAL QG 1 124 ASN H 4.150 . 6.500 3.113 2.032 3.297 . 0 0 "[ . 1 . 2]" 1
731 1 125 GLY QA 1 126 VAL H 2.550 . 3.300 2.641 2.593 2.710 . 0 0 "[ . 1 . 2]" 1
732 1 123 VAL HA 1 126 VAL H 3.900 . 6.000 3.919 3.630 4.109 . 0 0 "[ . 1 . 2]" 1
733 1 104 PHE QE 1 128 SER H 3.900 . 6.000 4.850 4.204 5.440 . 0 0 "[ . 1 . 2]" 1
734 1 127 LEU QB 1 128 SER H 3.400 . 5.000 2.514 2.430 2.576 . 0 0 "[ . 1 . 2]" 1
735 1 131 TYR QB 1 132 LYS H 2.550 . 3.300 2.430 2.270 2.689 . 0 0 "[ . 1 . 2]" 1
736 1 13 LEU HA 1 14 VAL H 3.900 . 6.000 3.557 3.528 3.602 . 0 0 "[ . 1 . 2]" 1
737 1 141 GLU HA 1 142 LYS H 3.400 . 5.000 2.727 2.145 3.579 . 0 0 "[ . 1 . 2]" 1
738 1 5 LYS H 1 6 GLY H 3.400 . 5.000 2.729 2.656 2.770 . 0 0 "[ . 1 . 2]" 1
739 1 6 GLY H 1 7 ALA H 2.550 . 3.300 2.580 2.497 2.670 . 0 0 "[ . 1 . 2]" 1
740 1 7 ALA H 1 8 ARG H 2.550 . 3.300 2.695 2.562 2.747 . 0 0 "[ . 1 . 2]" 1
741 1 8 ARG H 1 9 ASP H 2.550 . 3.300 2.558 2.494 2.618 . 0 0 "[ . 1 . 2]" 1
742 1 14 VAL H 1 16 TYR HB3 3.400 . 5.000 5.093 5.032 5.164 0.164 12 0 "[ . 1 . 2]" 1
743 1 10 THR H 1 11 ALA H 3.400 . 5.000 2.661 2.630 2.695 . 0 0 "[ . 1 . 2]" 1
744 1 11 ALA H 1 12 PHE H 2.550 . 2.700 2.829 2.782 2.854 0.154 13 0 "[ . 1 . 2]" 1
745 1 12 PHE H 1 13 LEU H 2.550 . 3.300 2.851 2.691 2.934 . 0 0 "[ . 1 . 2]" 1
746 1 13 LEU H 1 14 VAL H 3.400 . 5.000 2.848 2.784 2.972 . 0 0 "[ . 1 . 2]" 1
747 1 14 VAL H 1 15 LEU H . . 3.300 2.570 2.476 2.653 . 0 0 "[ . 1 . 2]" 1
748 1 12 PHE HA 1 15 LEU H 3.900 . 6.000 3.393 3.273 3.537 . 0 0 "[ . 1 . 2]" 1
749 1 15 LEU H 1 16 TYR H . . 3.300 2.539 2.479 2.588 . 0 0 "[ . 1 . 2]" 1
750 1 16 TYR H 1 17 ARG H 3.400 . 5.000 2.619 2.570 2.679 . 0 0 "[ . 1 . 2]" 1
751 1 17 ARG H 1 18 TRP H 3.900 . 5.000 2.601 2.527 2.672 . 0 0 "[ . 1 . 2]" 1
752 1 18 TRP H 1 19 ASP H 3.400 . 5.000 2.619 2.594 2.654 . 0 0 "[ . 1 . 2]" 1
753 1 19 ASP H 1 20 LEU H 3.400 . 5.000 2.591 2.576 2.611 . 0 0 "[ . 1 . 2]" 1
754 1 7 ALA H 1 47 ALA MB 3.650 . 5.500 4.419 4.376 4.440 . 0 0 "[ . 1 . 2]" 1
755 1 20 LEU H 1 21 ARG H 2.550 . 3.300 2.382 2.363 2.433 . 0 0 "[ . 1 . 2]" 1
756 1 26 GLY H 1 27 GLU H 2.250 . 2.700 2.651 2.586 2.733 0.033 9 0 "[ . 1 . 2]" 1
757 1 28 LEU H 1 29 PHE H 3.400 . 5.000 2.741 2.691 2.805 . 0 0 "[ . 1 . 2]" 1
758 1 27 GLU H 1 28 LEU H 2.250 . 2.700 2.681 2.546 2.741 0.041 8 0 "[ . 1 . 2]" 1
759 1 29 PHE H 1 30 LYS H 2.550 . 3.300 2.684 2.555 2.746 . 0 0 "[ . 1 . 2]" 1
760 1 14 VAL QG 1 15 LEU H 3.650 . 3.800 2.658 1.790 3.005 0.010 3 0 "[ . 1 . 2]" 1
761 1 30 LYS H 1 31 GLU H 2.250 . 2.700 2.732 2.718 2.744 0.044 18 0 "[ . 1 . 2]" 1
762 1 31 GLU H 1 32 VAL H 2.550 . 3.300 2.698 2.647 2.751 . 0 0 "[ . 1 . 2]" 1
763 1 33 VAL H 1 34 GLU H 2.250 . 2.700 2.736 2.716 2.757 0.057 20 0 "[ . 1 . 2]" 1
764 1 34 GLU H 1 35 GLU H 2.550 . 3.300 2.716 2.640 2.792 . 0 0 "[ . 1 . 2]" 1
765 1 42 ASP H 1 43 ALA H 2.250 . 2.700 2.661 2.617 2.687 . 0 0 "[ . 1 . 2]" 1
766 1 43 ALA H 1 44 TYR H 2.550 . 3.300 2.717 2.622 2.802 . 0 0 "[ . 1 . 2]" 1
767 1 44 TYR H 1 45 GLU H 2.550 . 2.700 2.764 2.719 2.807 0.107 15 0 "[ . 1 . 2]" 1
768 1 46 TYR H 1 47 ALA H 2.250 . 2.700 2.627 2.579 2.672 . 0 0 "[ . 1 . 2]" 1
769 1 45 GLU H 1 46 TYR H 3.400 . 5.000 2.544 2.518 2.563 . 0 0 "[ . 1 . 2]" 1
770 1 14 VAL QG 1 16 TYR H 4.150 . 6.500 3.640 3.477 3.764 . 0 0 "[ . 1 . 2]" 1
771 1 47 ALA H 1 48 LYS H 2.250 . 2.700 2.637 2.557 2.710 0.010 15 0 "[ . 1 . 2]" 1
772 1 48 LYS H 1 49 LYS H 2.250 . 2.700 2.754 2.737 2.766 0.066 1 0 "[ . 1 . 2]" 1
773 1 49 LYS H 1 50 LEU H 2.550 . 3.300 2.676 2.634 2.710 . 0 0 "[ . 1 . 2]" 1
774 1 51 VAL H 1 52 ASP H . . 2.700 2.601 2.507 2.648 . 0 0 "[ . 1 . 2]" 1
775 1 52 ASP H 1 53 THR H 3.400 . 5.000 2.652 2.584 2.726 . 0 0 "[ . 1 . 2]" 1
776 1 54 ALA H 1 55 VAL H 2.550 . 3.300 2.411 2.387 2.434 . 0 0 "[ . 1 . 2]" 1
777 1 57 HIS H 1 58 ILE H 2.250 . 2.700 2.008 1.778 2.397 0.022 16 0 "[ . 1 . 2]" 1
778 1 58 ILE H 1 59 GLU H 3.400 . 5.000 4.119 3.219 4.475 . 0 0 "[ . 1 . 2]" 1
779 1 59 GLU H 1 60 GLU H 2.250 . 2.700 2.758 2.708 2.793 0.093 1 0 "[ . 1 . 2]" 1
780 1 60 GLU H 1 61 ILE H 2.550 . 3.300 2.811 2.673 2.902 . 0 0 "[ . 1 . 2]" 1
781 1 62 ASP H 1 63 SER H 2.550 . 3.300 2.668 2.641 2.689 . 0 0 "[ . 1 . 2]" 1
782 1 63 SER H 1 64 ILE H 2.550 . 3.300 2.654 2.625 2.675 . 0 0 "[ . 1 . 2]" 1
783 1 65 ILE H 1 66 GLU H 3.400 . 5.000 2.501 2.435 2.613 . 0 0 "[ . 1 . 2]" 1
784 1 66 GLU H 1 67 LYS H 2.550 . 3.300 2.749 2.689 2.798 . 0 0 "[ . 1 . 2]" 1
785 1 67 LYS H 1 68 HIS H 2.550 . 3.300 2.762 2.728 2.806 . 0 0 "[ . 1 . 2]" 1
786 1 68 HIS H 1 69 LEU H 2.250 . 2.700 2.185 2.096 2.279 . 0 0 "[ . 1 . 2]" 1
787 1 75 ASP H 1 76 ARG H 2.250 . 2.700 2.540 2.339 2.656 . 0 0 "[ . 1 . 2]" 1
788 1 82 ARG H 1 83 ASN H 2.550 . 3.300 2.906 2.789 2.948 . 0 0 "[ . 1 . 2]" 1
789 1 83 ASN H 1 84 ALA H 2.550 . 3.300 2.553 2.488 2.699 . 0 0 "[ . 1 . 2]" 1
790 1 84 ALA H 1 85 LEU H 2.550 . 3.300 2.707 2.628 2.811 . 0 0 "[ . 1 . 2]" 1
791 1 85 LEU H 1 86 ARG H . . 2.700 2.774 2.682 2.829 0.129 1 0 "[ . 1 . 2]" 1
792 1 112 LYS H 1 113 LYS H 2.550 . 3.300 2.735 2.690 2.757 . 0 0 "[ . 1 . 2]" 1
793 1 87 LEU H 1 88 GLY H 2.550 . 3.300 2.670 2.577 2.781 . 0 0 "[ . 1 . 2]" 1
794 1 86 ARG H 1 87 LEU H 2.550 . 3.300 2.728 2.652 2.858 . 0 0 "[ . 1 . 2]" 1
795 1 90 ALA H 1 91 GLU H 2.550 . 3.300 2.871 2.787 2.924 . 0 0 "[ . 1 . 2]" 1
796 1 92 LEU H 1 93 ILE H 3.400 . 5.000 3.803 3.689 3.917 . 0 0 "[ . 1 . 2]" 1
797 1 93 ILE H 1 94 PHE H 2.550 . 2.700 1.930 1.876 2.015 . 0 0 "[ . 1 . 2]" 1
798 1 94 PHE H 1 95 LEU H 2.550 . 3.300 2.803 2.770 2.864 . 0 0 "[ . 1 . 2]" 1
799 1 95 LEU H 1 96 LYS H 2.250 . 2.700 2.138 2.055 2.307 . 0 0 "[ . 1 . 2]" 1
800 1 96 LYS H 1 97 SER H 2.550 . 3.300 3.117 2.653 3.358 0.058 1 0 "[ . 1 . 2]" 1
801 1 98 LYS H 1 99 GLU H 3.900 . 5.000 2.266 1.787 3.334 0.013 11 0 "[ . 1 . 2]" 1
802 1 101 GLY H 1 102 ARG H . . 3.300 2.802 2.656 2.915 . 0 0 "[ . 1 . 2]" 1
803 1 7 ALA HA 1 8 ARG H 3.900 . 6.000 3.523 3.508 3.545 . 0 0 "[ . 1 . 2]" 1
804 1 20 LEU HB3 1 21 ARG H 2.550 . 3.300 3.292 2.912 3.352 0.052 5 0 "[ . 1 . 2]" 1
805 1 103 VAL H 1 104 PHE H 2.550 . 3.300 2.807 2.629 2.858 . 0 0 "[ . 1 . 2]" 1
806 1 102 ARG H 1 103 VAL H 2.250 . 2.700 2.547 2.514 2.612 . 0 0 "[ . 1 . 2]" 1
807 1 104 PHE H 1 105 ILE H 3.400 . 5.000 2.740 2.624 2.848 . 0 0 "[ . 1 . 2]" 1
808 1 107 ILE H 1 108 VAL H 2.550 . 3.300 2.688 2.611 2.762 . 0 0 "[ . 1 . 2]" 1
809 1 106 ASP H 1 107 ILE H 3.900 . 6.000 2.761 2.722 2.824 . 0 0 "[ . 1 . 2]" 1
810 1 108 VAL H 1 109 ASP H 2.550 . 3.300 2.564 2.527 2.666 . 0 0 "[ . 1 . 2]" 1
811 1 111 VAL H 1 112 LYS H 2.550 . 3.300 2.616 2.579 2.667 . 0 0 "[ . 1 . 2]" 1
812 1 113 LYS H 1 114 TYR H 2.550 . 3.300 2.664 2.582 2.782 . 0 0 "[ . 1 . 2]" 1
813 1 114 TYR H 1 115 ALA H 2.250 . 2.700 2.728 2.718 2.738 0.038 20 0 "[ . 1 . 2]" 1
814 1 118 LYS H 1 119 ALA H 2.250 . 2.700 2.680 2.630 2.725 0.025 13 0 "[ . 1 . 2]" 1
815 1 119 ALA H 1 120 GLY H 2.550 . 3.300 2.528 2.453 2.600 . 0 0 "[ . 1 . 2]" 1
816 1 122 PHE H 1 123 VAL H . . 3.300 2.611 2.541 2.777 . 0 0 "[ . 1 . 2]" 1
817 1 123 VAL H 1 124 ASN H 2.550 . 3.300 2.747 2.628 2.814 . 0 0 "[ . 1 . 2]" 1
818 1 124 ASN H 1 125 GLY H 2.550 . 3.300 2.717 2.675 2.754 . 0 0 "[ . 1 . 2]" 1
819 1 125 GLY H 1 126 VAL H 2.550 . 3.300 2.843 2.758 2.907 . 0 0 "[ . 1 . 2]" 1
820 1 21 ARG QB 1 22 GLY H 3.900 . 6.000 2.567 2.426 2.625 . 0 0 "[ . 1 . 2]" 1
821 1 126 VAL H 1 127 LEU H 2.550 . 3.300 2.614 2.534 2.719 . 0 0 "[ . 1 . 2]" 1
822 1 127 LEU H 1 128 SER H . . 2.700 2.680 2.593 2.731 0.031 20 0 "[ . 1 . 2]" 1
823 1 129 ALA H 1 130 ILE H 2.550 . 3.300 2.768 2.701 2.832 . 0 0 "[ . 1 . 2]" 1
824 1 128 SER H 1 129 ALA H 2.250 . 2.700 2.609 2.587 2.635 . 0 0 "[ . 1 . 2]" 1
825 1 130 ILE H 1 131 TYR H 3.400 . 5.000 2.598 2.542 2.712 . 0 0 "[ . 1 . 2]" 1
826 1 23 GLU HA 1 24 ASN H 2.250 . 2.700 2.310 2.138 2.505 . 0 0 "[ . 1 . 2]" 1
827 1 131 TYR H 1 132 LYS H 2.550 . 3.300 2.859 2.712 2.952 . 0 0 "[ . 1 . 2]" 1
828 1 132 LYS H 1 133 ALA H 2.550 . 3.300 2.694 2.612 2.756 . 0 0 "[ . 1 . 2]" 1
829 1 133 ALA H 1 134 TYR H 3.400 . 5.000 2.596 2.465 2.769 . 0 0 "[ . 1 . 2]" 1
830 1 23 GLU QB 1 24 ASN H 3.400 . 5.000 3.062 2.186 3.802 . 0 0 "[ . 1 . 2]" 1
831 1 25 PRO QB 1 26 GLY H 3.400 . 5.000 3.174 2.613 3.515 . 0 0 "[ . 1 . 2]" 1
832 1 26 GLY H 1 27 GLU QB 3.900 . 6.000 4.420 4.278 4.651 . 0 0 "[ . 1 . 2]" 1
833 1 135 ILE H 1 135 ILE MD 4.150 . 6.500 1.753 1.588 2.404 0.212 12 0 "[ . 1 . 2]" 1
834 1 26 GLY H 1 51 VAL QG 4.150 . 6.500 4.999 4.570 5.319 . 0 0 "[ . 1 . 2]" 1
835 1 24 ASN QB 1 27 GLU H 3.400 . 5.000 2.936 2.275 3.690 . 0 0 "[ . 1 . 2]" 1
836 1 27 GLU QB 1 28 LEU H 2.250 . 2.700 2.409 2.293 2.561 . 0 0 "[ . 1 . 2]" 1
837 1 28 LEU HB3 1 29 PHE H 2.550 . 3.300 3.354 3.172 3.410 0.110 17 0 "[ . 1 . 2]" 1
838 1 28 LEU QB 1 29 PHE H 3.900 . 6.000 2.715 2.605 2.806 . 0 0 "[ . 1 . 2]" 1
839 1 6 GLY QA 1 9 ASP H 3.400 . 5.000 3.275 3.088 3.535 . 0 0 "[ . 1 . 2]" 1
840 1 29 PHE HA 1 30 LYS H 3.400 . 5.000 3.531 3.512 3.543 . 0 0 "[ . 1 . 2]" 1
841 1 29 PHE HB3 1 30 LYS H 2.550 . 3.300 2.696 2.540 2.824 . 0 0 "[ . 1 . 2]" 1
842 1 31 GLU H 1 32 VAL QG 4.150 . 6.500 3.538 3.456 3.595 . 0 0 "[ . 1 . 2]" 1
843 1 31 GLU QB 1 32 VAL H 2.550 . 3.300 2.585 2.519 2.652 . 0 0 "[ . 1 . 2]" 1
844 1 29 PHE HA 1 33 VAL H 3.900 . 5.000 4.253 4.170 4.319 . 0 0 "[ . 1 . 2]" 1
845 1 30 LYS HA 1 33 VAL H 3.900 . 6.000 3.840 3.786 3.883 . 0 0 "[ . 1 . 2]" 1
846 1 8 ARG QB 1 9 ASP H 3.400 . 5.000 2.543 2.468 2.713 . 0 0 "[ . 1 . 2]" 1
847 1 32 VAL QG 1 33 VAL H 3.650 . 3.800 1.771 1.738 1.799 0.062 20 0 "[ . 1 . 2]" 1
848 1 31 GLU HA 1 34 GLU H 3.900 . 6.000 3.997 3.889 4.065 . 0 0 "[ . 1 . 2]" 1
849 1 33 VAL QG 1 34 GLU H 3.650 . 5.500 2.821 2.719 2.920 . 0 0 "[ . 1 . 2]" 1
850 1 35 GLU HB3 1 36 LYS H 2.550 . 3.300 2.928 2.500 3.364 0.064 2 0 "[ . 1 . 2]" 1
851 1 8 ARG QG 1 9 ASP H 3.400 . 5.000 4.052 3.714 4.373 . 0 0 "[ . 1 . 2]" 1
852 1 37 ASN H 1 38 ILE HA 3.900 . 6.000 4.976 3.907 5.284 . 0 0 "[ . 1 . 2]" 1
853 1 37 ASN H 1 38 ILE HB 3.900 . 6.000 5.663 4.842 6.059 0.059 16 0 "[ . 1 . 2]" 1
854 1 36 LYS QG 1 37 ASN H 3.900 . 6.000 3.535 1.738 4.541 0.062 13 0 "[ . 1 . 2]" 1
855 1 56 ARG H 1 57 HIS H 2.550 . 3.300 2.775 2.630 2.849 . 0 0 "[ . 1 . 2]" 1
856 1 37 ASN HA 1 38 ILE H 2.250 . 2.700 2.716 2.657 2.755 0.055 14 0 "[ . 1 . 2]" 1
857 1 33 VAL MG1 1 38 ILE H 3.650 . 5.500 3.299 2.801 3.607 . 0 0 "[ . 1 . 2]" 1
858 1 43 ALA H 1 44 TYR HA 3.900 . 6.000 5.306 5.225 5.371 . 0 0 "[ . 1 . 2]" 1
859 1 42 ASP HA 1 43 ALA H 3.900 . 6.000 3.495 3.484 3.503 . 0 0 "[ . 1 . 2]" 1
860 1 42 ASP QB 1 43 ALA H 3.400 . 5.000 2.333 2.271 2.413 . 0 0 "[ . 1 . 2]" 1
861 1 44 TYR HB3 1 45 GLU H 2.250 . 2.700 2.689 2.617 2.731 0.031 3 0 "[ . 1 . 2]" 1
862 1 65 ILE MD 1 74 ILE MD 3.900 . 6.000 3.560 2.760 3.899 . 0 0 "[ . 1 . 2]" 1
863 1 93 ILE MD 1 94 PHE QE 3.650 . 5.500 2.602 2.378 2.869 . 0 0 "[ . 1 . 2]" 1
864 1 77 LEU HA 1 77 LEU QD 3.650 . 5.500 2.327 1.897 3.314 . 0 0 "[ . 1 . 2]" 1
865 1 46 TYR QD 1 50 LEU MD2 3.650 . 5.500 3.711 3.185 4.202 . 0 0 "[ . 1 . 2]" 1
866 1 12 PHE QE 1 80 VAL QG 4.150 . 6.500 2.212 2.038 2.678 . 0 0 "[ . 1 . 2]" 1
867 1 85 LEU HA 1 130 ILE MD 4.150 . 6.500 5.305 5.236 5.371 . 0 0 "[ . 1 . 2]" 1
868 1 74 ILE MG 1 82 ARG HA 3.650 . 5.500 4.493 3.400 4.746 . 0 0 "[ . 1 . 2]" 1
869 1 61 ILE HB 1 61 ILE MD 2.800 . 3.800 2.482 2.381 2.563 . 0 0 "[ . 1 . 2]" 1
870 1 64 ILE MD 1 130 ILE MD 3.900 . 6.000 3.920 3.884 4.030 . 0 0 "[ . 1 . 2]" 1
871 1 94 PHE QE 1 130 ILE MD 4.150 . 6.500 4.392 3.999 4.997 . 0 0 "[ . 1 . 2]" 1
872 1 65 ILE HA 1 130 ILE MD 2.800 . 3.800 2.947 2.763 3.054 . 0 0 "[ . 1 . 2]" 1
873 1 93 ILE HA 1 93 ILE MD 3.800 2.800 4.800 3.698 3.655 3.737 . 0 0 "[ . 1 . 2]" 1
874 1 93 ILE MD 1 131 TYR HA 3.650 . 5.500 3.771 3.355 4.289 . 0 0 "[ . 1 . 2]" 1
875 1 29 PHE QD 1 30 LYS HA 3.900 . 6.000 4.408 4.323 4.556 . 0 0 "[ . 1 . 2]" 1
876 1 130 ILE HB 1 130 ILE MD 2.500 . 3.200 2.502 2.452 2.550 . 0 0 "[ . 1 . 2]" 1
877 1 29 PHE QB 1 29 PHE QD 2.550 . 3.300 2.236 2.207 2.285 . 0 0 "[ . 1 . 2]" 1
878 1 93 ILE HB 1 93 ILE MD 2.800 . 3.800 2.146 2.122 2.171 . 0 0 "[ . 1 . 2]" 1
879 1 64 ILE MG 1 94 PHE QE 3.650 . 5.500 3.905 3.551 4.164 . 0 0 "[ . 1 . 2]" 1
880 1 30 LYS QB 1 30 LYS QD 2.250 . 2.700 1.953 1.879 2.049 . 0 0 "[ . 1 . 2]" 1
881 1 46 TYR HA 1 46 TYR QD 2.250 . 2.700 2.664 2.068 3.032 0.332 17 0 "[ . 1 . 2]" 1
882 1 113 LYS QB 1 113 LYS QE 3.400 . 5.000 2.458 2.100 3.813 . 0 0 "[ . 1 . 2]" 1
883 1 30 LYS QB 1 30 LYS QG 2.250 . 2.700 2.090 2.042 2.111 . 0 0 "[ . 1 . 2]" 1
884 1 135 ILE HA 1 135 ILE MD 2.800 . 3.800 2.987 2.595 3.241 . 0 0 "[ . 1 . 2]" 1
885 1 16 TYR HA 1 16 TYR QD 2.550 . 3.300 2.867 2.029 3.059 . 0 0 "[ . 1 . 2]" 1
886 1 112 LYS HA 1 112 LYS QB 2.550 . 2.700 2.373 2.297 2.541 . 0 0 "[ . 1 . 2]" 1
887 1 12 PHE QD 1 84 ALA MB 4.150 . 6.500 3.644 3.136 4.464 . 0 0 "[ . 1 . 2]" 1
888 1 49 LYS HA 1 49 LYS QB 2.250 . 2.700 2.417 2.335 2.503 . 0 0 "[ . 1 . 2]" 1
889 1 48 LYS HA 1 51 VAL HB 3.400 . 5.000 3.692 2.756 4.828 . 0 0 "[ . 1 . 2]" 1
890 1 12 PHE QR 1 13 LEU HA 3.900 . 6.000 2.897 2.676 3.135 . 0 0 "[ . 1 . 2]" 1
891 1 64 ILE MG 1 130 ILE MD 2.750 . 3.700 2.033 1.906 2.098 . 0 0 "[ . 1 . 2]" 1
892 1 27 GLU QG 1 30 LYS QB 3.900 . 6.000 4.287 3.445 5.102 . 0 0 "[ . 1 . 2]" 1
893 1 35 GLU HB3 1 36 LYS QB 3.400 . 5.000 3.889 3.451 4.440 . 0 0 "[ . 1 . 2]" 1
894 1 14 VAL HA 1 14 VAL HB 2.550 . 3.300 2.554 2.208 2.676 . 0 0 "[ . 1 . 2]" 1
895 1 61 ILE HA 1 94 PHE HZ 3.900 . 6.000 3.509 3.341 3.736 . 0 0 "[ . 1 . 2]" 1
896 1 100 PRO HA 1 103 VAL HB 3.400 . 5.000 2.325 2.263 2.444 . 0 0 "[ . 1 . 2]" 1
897 1 68 HIS HB3 1 126 VAL MG2 3.650 . 5.500 4.234 3.655 4.481 . 0 0 "[ . 1 . 2]" 1
898 1 64 ILE MG 1 67 LYS QB 4.150 . 6.500 4.122 3.934 4.312 . 0 0 "[ . 1 . 2]" 1
899 1 60 GLU QG 1 94 PHE QE 3.900 . 6.000 3.741 3.588 3.920 . 0 0 "[ . 1 . 2]" 1
900 1 69 LEU QD 1 72 TRP QB . . 3.800 2.165 2.109 2.368 . 0 0 "[ . 1 . 2]" 1
901 1 60 GLU QB 1 63 SER QB 3.400 . 5.000 4.042 3.974 4.077 . 0 0 "[ . 1 . 2]" 1
902 1 94 PHE HA 1 94 PHE QD 2.550 . 3.300 2.894 2.214 3.220 . 0 0 "[ . 1 . 2]" 1
903 1 60 GLU QB 1 60 GLU QG 2.250 . 2.700 2.096 2.089 2.101 . 0 0 "[ . 1 . 2]" 1
904 1 35 GLU QB 1 35 GLU QG 2.250 . 2.700 2.047 2.009 2.108 . 0 0 "[ . 1 . 2]" 1
905 1 76 ARG HA 1 76 ARG QB 2.250 . 2.700 2.436 2.348 2.530 . 0 0 "[ . 1 . 2]" 1
906 1 38 ILE HB 1 38 ILE MD 2.800 . 3.800 3.203 3.194 3.209 . 0 0 "[ . 1 . 2]" 1
907 1 53 THR HA 1 56 ARG QB 3.900 . 6.000 2.485 2.285 2.826 . 0 0 "[ . 1 . 2]" 1
908 1 17 ARG QB 1 17 ARG QG 2.250 . 2.700 1.703 1.673 1.738 0.127 17 0 "[ . 1 . 2]" 1
909 1 92 LEU QD 1 93 ILE MD 4.400 . 7.000 2.685 1.902 3.014 . 0 0 "[ . 1 . 2]" 1
910 1 16 TYR HB3 1 17 ARG QB 3.400 . 5.000 4.200 3.921 4.392 . 0 0 "[ . 1 . 2]" 1
911 1 16 TYR HB3 1 17 ARG QB 3.400 . 5.000 4.058 3.830 4.207 . 0 0 "[ . 1 . 2]" 1
912 1 64 ILE QG 1 64 ILE MG 2.800 . 3.800 2.310 2.279 2.445 . 0 0 "[ . 1 . 2]" 1
913 1 99 GLU QG 1 102 ARG HB2 3.900 . 6.000 3.432 2.069 4.463 . 0 0 "[ . 1 . 2]" 1
914 1 105 ILE HA 1 105 ILE HG12 2.550 . 3.300 2.257 2.225 2.283 . 0 0 "[ . 1 . 2]" 1
915 1 136 THR HA 1 136 THR HB 2.250 . 2.700 2.552 2.348 2.702 0.002 15 0 "[ . 1 . 2]" 1
916 1 23 GLU QB 1 28 LEU QD 3.650 . 5.500 3.038 2.163 4.010 . 0 0 "[ . 1 . 2]" 1
917 1 103 VAL MG1 1 107 ILE HG12 3.650 . 5.500 3.789 3.205 4.521 . 0 0 "[ . 1 . 2]" 1
918 1 58 ILE MG 1 59 GLU QB 4.150 . 6.500 3.431 2.783 3.685 . 0 0 "[ . 1 . 2]" 1
919 1 105 ILE HB 1 105 ILE HG13 2.550 . 3.300 2.293 2.287 2.299 . 0 0 "[ . 1 . 2]" 1
920 1 110 LEU HA 1 113 LYS QD 3.900 . 6.000 4.353 2.897 6.029 0.029 19 0 "[ . 1 . 2]" 1
921 1 60 GLU QG 1 94 PHE HZ 3.400 . 5.000 4.119 4.096 4.149 . 0 0 "[ . 1 . 2]" 1
922 1 105 ILE HG13 1 105 ILE MG 2.800 . 3.200 2.622 2.605 2.639 . 0 0 "[ . 1 . 2]" 1
923 1 34 GLU QB 1 34 GLU QG 2.250 . 2.700 2.077 2.071 2.084 . 0 0 "[ . 1 . 2]" 1
924 1 46 TYR HA 1 49 LYS HD2 3.900 . 6.000 5.301 4.516 6.019 0.019 6 0 "[ . 1 . 2]" 1
925 1 53 THR HB 1 54 ALA MB 3.650 . 5.500 3.788 3.740 3.853 . 0 0 "[ . 1 . 2]" 1
926 1 53 THR HB 1 90 ALA MB 3.650 . 5.500 2.310 2.193 2.489 . 0 0 "[ . 1 . 2]" 1
927 1 13 LEU QD 1 36 LYS QD 4.150 . 6.500 2.929 2.468 3.689 . 0 0 "[ . 1 . 2]" 1
928 1 111 VAL QG 1 120 GLY QA 4.150 . 5.500 2.115 2.006 2.514 . 0 0 "[ . 1 . 2]" 1
929 1 14 VAL HA 1 14 VAL QG 2.500 . 3.200 1.812 1.758 1.894 0.042 7 0 "[ . 1 . 2]" 1
930 1 93 ILE HA 1 93 ILE HG13 3.400 . 5.000 2.658 2.569 2.756 . 0 0 "[ . 1 . 2]" 1
931 1 14 VAL HA 1 14 VAL QG 2.500 . 3.200 1.874 1.813 1.984 . 0 0 "[ . 1 . 2]" 1
932 1 107 ILE MG 1 108 VAL HA 4.150 . 6.500 3.023 2.957 3.071 . 0 0 "[ . 1 . 2]" 1
933 1 61 ILE HA 1 61 ILE QG 3.400 . 5.000 2.383 2.316 2.512 . 0 0 "[ . 1 . 2]" 1
934 1 33 VAL HA 1 38 ILE HG13 3.900 . 6.000 3.103 2.847 3.538 . 0 0 "[ . 1 . 2]" 1
935 1 33 VAL HA 1 38 ILE HG12 3.900 . 6.000 2.544 2.260 3.005 . 0 0 "[ . 1 . 2]" 1
936 1 87 LEU MD1 1 87 LEU MD2 2.750 . 3.700 2.027 1.914 2.070 . 0 0 "[ . 1 . 2]" 1
937 1 53 THR HA 1 56 ARG QD 3.900 . 5.000 3.080 2.195 3.946 . 0 0 "[ . 1 . 2]" 1
938 1 12 PHE HA 1 87 LEU QD 3.650 . 5.500 2.216 2.015 2.318 . 0 0 "[ . 1 . 2]" 1
939 1 15 LEU QD 1 51 VAL HA 2.500 . 3.200 2.000 1.879 2.089 . 0 0 "[ . 1 . 2]" 1
940 1 33 VAL MG1 1 38 ILE HG13 3.650 . 5.500 2.270 2.053 2.761 . 0 0 "[ . 1 . 2]" 1
941 1 88 GLY HA2 1 103 VAL MG1 4.150 . 6.500 4.192 3.000 5.090 . 0 0 "[ . 1 . 2]" 1
942 1 103 VAL HA 1 106 ASP QB 3.400 . 5.000 3.259 3.041 3.539 . 0 0 "[ . 1 . 2]" 1
943 1 91 GLU QB 1 103 VAL MG1 3.650 . 5.500 2.140 1.929 2.350 . 0 0 "[ . 1 . 2]" 1
944 1 26 GLY QA 1 29 PHE QB 3.900 . 6.000 2.570 2.354 2.905 . 0 0 "[ . 1 . 2]" 1
945 1 56 ARG HA 1 56 ARG QG 2.550 . 3.300 2.138 1.963 2.262 . 0 0 "[ . 1 . 2]" 1
946 1 74 ILE QG 1 74 ILE MG 2.500 . 3.200 2.240 2.161 2.550 . 0 0 "[ . 1 . 2]" 1
947 1 84 ALA HA 1 87 LEU QD 4.150 . 6.500 2.227 2.108 2.368 . 0 0 "[ . 1 . 2]" 1
948 1 77 LEU HA 1 77 LEU HG 3.900 . 6.000 2.791 2.274 3.685 . 0 0 "[ . 1 . 2]" 1
949 1 103 VAL HA 1 103 VAL HB 2.550 . 3.300 2.574 2.509 2.605 . 0 0 "[ . 1 . 2]" 1
950 1 20 LEU HB3 1 21 ARG HG3 3.900 . 6.000 5.287 3.514 6.042 0.042 1 0 "[ . 1 . 2]" 1
951 1 20 LEU QB 1 20 LEU HG 2.250 . 2.700 2.321 2.194 2.422 . 0 0 "[ . 1 . 2]" 1
952 1 65 ILE HA 1 69 LEU HB2 3.900 . 6.000 5.917 4.342 6.072 0.072 9 0 "[ . 1 . 2]" 1
953 1 93 ILE HA 1 93 ILE HG13 3.400 . 5.000 2.568 2.502 2.635 . 0 0 "[ . 1 . 2]" 1
954 1 10 THR HA 1 10 THR MG 2.500 . 3.200 2.108 2.058 2.183 . 0 0 "[ . 1 . 2]" 1
955 1 38 ILE HA 1 38 ILE HG13 3.400 . 5.000 3.668 3.625 3.840 . 0 0 "[ . 1 . 2]" 1
956 1 33 VAL QG 1 38 ILE HG12 4.150 . 6.500 2.725 2.398 3.097 . 0 0 "[ . 1 . 2]" 1
957 1 41 LYS HA 1 41 LYS QD 3.400 . 5.000 2.552 1.950 3.471 . 0 0 "[ . 1 . 2]" 1
958 1 103 VAL HA 1 103 VAL QG 2.800 . 3.200 1.869 1.858 1.890 . 0 0 "[ . 1 . 2]" 1
959 1 31 GLU HA 1 32 VAL HA 3.900 . 6.000 4.413 4.344 4.476 . 0 0 "[ . 1 . 2]" 1
960 1 26 GLY HA2 1 29 PHE QB 3.400 . 5.000 2.596 2.375 2.939 . 0 0 "[ . 1 . 2]" 1
961 1 10 THR HA 1 47 ALA MB 4.150 . 6.500 5.175 4.908 5.317 . 0 0 "[ . 1 . 2]" 1
962 1 20 LEU HA 1 20 LEU HG 3.400 . 5.000 2.632 2.260 3.637 . 0 0 "[ . 1 . 2]" 1
963 1 33 VAL HA 1 38 ILE MG 4.150 . 6.500 4.398 4.335 4.452 . 0 0 "[ . 1 . 2]" 1
964 1 38 ILE HG12 1 38 ILE MG 2.800 . 3.800 2.827 2.454 2.850 . 0 0 "[ . 1 . 2]" 1
965 1 33 VAL HA 1 38 ILE HB 3.400 . 5.000 3.692 3.501 3.917 . 0 0 "[ . 1 . 2]" 1
966 1 24 ASN HA 1 25 PRO QG 3.400 . 5.000 3.996 3.926 4.142 . 0 0 "[ . 1 . 2]" 1
967 1 15 LEU QD 1 86 ARG QB 3.650 . 5.500 2.278 1.918 2.493 . 0 0 "[ . 1 . 2]" 1
968 1 107 ILE HA 1 110 LEU HG 3.900 . 6.000 3.925 3.604 4.148 . 0 0 "[ . 1 . 2]" 1
969 1 48 LYS QD 1 48 LYS QG 2.250 . 2.700 1.835 1.793 1.866 0.007 5 0 "[ . 1 . 2]" 1
970 1 12 PHE HA 1 15 LEU QD 4.150 . 6.500 3.352 2.417 3.604 . 0 0 "[ . 1 . 2]" 1
971 1 15 LEU QD 1 87 LEU QB 4.150 . 6.500 2.530 1.960 2.897 . 0 0 "[ . 1 . 2]" 1
972 1 108 VAL MG1 1 112 LYS QG 4.150 . 6.500 3.489 2.370 4.352 . 0 0 "[ . 1 . 2]" 1
973 1 56 ARG HA 1 56 ARG QG 2.550 . 3.300 2.141 2.050 2.363 . 0 0 "[ . 1 . 2]" 1
974 1 102 ARG HA 1 102 ARG QG 2.250 . 2.700 2.158 2.097 2.201 . 0 0 "[ . 1 . 2]" 1
975 1 50 LEU QD 1 90 ALA MB 4.400 . 6.000 2.969 2.739 3.164 . 0 0 "[ . 1 . 2]" 1
976 1 95 LEU HA 1 95 LEU QD 3.650 . 3.800 1.961 1.893 2.046 . 0 0 "[ . 1 . 2]" 1
977 1 121 LYS QB 1 121 LYS QG 2.250 . 2.700 2.087 2.031 2.112 . 0 0 "[ . 1 . 2]" 1
978 1 50 LEU QD 1 91 GLU QB 4.150 . 6.500 3.480 2.246 4.149 . 0 0 "[ . 1 . 2]" 1
979 1 49 LYS QD 1 95 LEU QD 3.650 . 5.500 3.842 2.516 4.586 . 0 0 "[ . 1 . 2]" 1
980 1 125 GLY HA2 1 128 SER QB 3.900 . 6.000 3.433 3.015 3.921 . 0 0 "[ . 1 . 2]" 1
981 1 95 LEU MD1 1 95 LEU MD2 2.750 . 3.700 2.036 1.987 2.063 . 0 0 "[ . 1 . 2]" 1
982 1 30 LYS QE 1 30 LYS HG2 2.250 . 2.700 2.068 2.001 2.283 . 0 0 "[ . 1 . 2]" 1
983 1 53 THR MG 1 95 LEU MD2 3.050 . 4.300 2.328 1.864 2.633 . 0 0 "[ . 1 . 2]" 1
984 1 66 GLU HA 1 69 LEU HG 3.400 . 5.000 2.784 2.362 4.529 . 0 0 "[ . 1 . 2]" 1
985 1 118 LYS HA 1 118 LYS QG 2.550 . 3.300 2.034 1.924 2.178 . 0 0 "[ . 1 . 2]" 1
986 1 92 LEU QD 1 131 TYR QB 4.150 . 6.500 2.433 2.096 3.185 . 0 0 "[ . 1 . 2]" 1
987 1 50 LEU QD 1 91 GLU QG 3.650 . 5.500 3.182 2.706 3.843 . 0 0 "[ . 1 . 2]" 1
988 1 65 ILE MG 1 69 LEU HG 4.150 . 5.500 2.233 1.996 4.048 . 0 0 "[ . 1 . 2]" 1
989 1 91 GLU QG 1 95 LEU HG 3.900 . 6.000 4.398 3.564 5.236 . 0 0 "[ . 1 . 2]" 1
990 1 85 LEU QD 1 86 ARG HB2 4.150 . 6.500 3.975 2.458 4.734 . 0 0 "[ . 1 . 2]" 1
991 1 13 LEU MD2 1 38 ILE MD 3.900 . 6.000 3.997 3.798 4.092 . 0 0 "[ . 1 . 2]" 1
992 1 61 ILE HA 1 89 VAL MG1 4.150 . 6.500 2.769 2.481 2.999 . 0 0 "[ . 1 . 2]" 1
993 1 5 LYS HA 1 5 LYS QG 2.550 . 3.300 2.237 2.080 2.413 . 0 0 "[ . 1 . 2]" 1
994 1 8 ARG HA 1 8 ARG QD 3.900 . 5.000 3.963 3.655 4.184 . 0 0 "[ . 1 . 2]" 1
995 1 38 ILE HA 1 38 ILE HG13 2.550 . 3.300 2.300 2.144 2.480 . 0 0 "[ . 1 . 2]" 1
996 1 84 ALA MB 1 123 VAL MG1 3.050 . 4.300 2.634 2.350 2.761 . 0 0 "[ . 1 . 2]" 1
997 1 105 ILE HA 1 105 ILE HB 2.550 . 3.300 2.956 2.951 2.963 . 0 0 "[ . 1 . 2]" 1
998 1 129 ALA MB 1 130 ILE HA 2.800 . 3.800 2.496 2.253 2.721 . 0 0 "[ . 1 . 2]" 1
999 1 64 ILE MG 1 89 VAL MG2 3.050 . 4.300 2.716 2.657 2.750 . 0 0 "[ . 1 . 2]" 1
1000 1 65 ILE MG 1 85 LEU QD 3.900 . 6.000 3.168 2.810 3.702 . 0 0 "[ . 1 . 2]" 1
1001 1 65 ILE HA 1 65 ILE MG 2.500 . 3.200 2.416 2.385 2.438 . 0 0 "[ . 1 . 2]" 1
1002 1 65 ILE MD 1 85 LEU MD2 3.050 . 4.300 2.473 2.157 2.758 . 0 0 "[ . 1 . 2]" 1
1003 1 74 ILE MG 1 86 ARG HD2 3.650 . 5.500 4.395 4.123 4.520 . 0 0 "[ . 1 . 2]" 1
1004 1 110 LEU QD 1 113 LYS QB 4.150 . 6.500 3.532 3.251 4.491 . 0 0 "[ . 1 . 2]" 1
1005 1 76 ARG QB 1 77 LEU QB 3.900 . 6.000 3.929 3.308 4.411 . 0 0 "[ . 1 . 2]" 1
1006 1 50 LEU QD 1 87 LEU QD 4.400 . 7.000 2.652 1.941 3.195 . 0 0 "[ . 1 . 2]" 1
1007 1 85 LEU QD 1 88 GLY HA3 4.150 . 6.500 2.059 1.951 2.305 . 0 0 "[ . 1 . 2]" 1
1008 1 103 VAL HA 1 107 ILE HB 3.900 . 6.000 5.609 5.344 6.004 0.004 15 0 "[ . 1 . 2]" 1
1009 1 107 ILE HA 1 110 LEU QD 3.650 . 5.500 2.262 2.046 2.466 . 0 0 "[ . 1 . 2]" 1
1010 1 92 LEU QD 1 93 ILE HA 3.650 . 5.500 3.828 3.513 4.173 . 0 0 "[ . 1 . 2]" 1
1011 1 63 SER QB 1 64 ILE HA 3.900 . 6.000 3.896 3.859 3.981 . 0 0 "[ . 1 . 2]" 1
1012 1 50 LEU QD 1 103 VAL QG 4.400 . 7.000 3.831 3.014 4.441 . 0 0 "[ . 1 . 2]" 1
1013 1 92 LEU HA 1 92 LEU QD 2.800 . 3.800 1.816 1.686 2.180 0.114 1 0 "[ . 1 . 2]" 1
1014 1 21 ARG HA 1 21 ARG QD 3.400 . 5.000 2.691 2.139 3.915 . 0 0 "[ . 1 . 2]" 1
1015 1 36 LYS QG 1 37 ASN HB2 3.900 . 6.000 4.936 3.290 5.417 . 0 0 "[ . 1 . 2]" 1
1016 1 39 LYS HA 1 39 LYS QG 2.550 . 3.300 2.438 2.173 3.297 . 0 0 "[ . 1 . 2]" 1
1017 1 69 LEU QD 1 74 ILE MD 3.900 . 6.000 2.629 1.866 3.754 . 0 0 "[ . 1 . 2]" 1
1018 1 61 ILE QG 1 89 VAL QG 4.150 . 6.500 3.129 2.838 3.273 . 0 0 "[ . 1 . 2]" 1
1019 1 92 LEU QB 1 100 PRO HB3 3.900 . 6.000 4.874 4.384 5.419 . 0 0 "[ . 1 . 2]" 1
1020 1 105 ILE HA 1 108 VAL QG 3.650 . 5.500 2.991 2.575 3.394 . 0 0 "[ . 1 . 2]" 1
1021 1 74 ILE HA 1 82 ARG QD 3.900 . 6.000 5.123 4.312 5.436 . 0 0 "[ . 1 . 2]" 1
1022 1 66 GLU HA 1 69 LEU QD 2.800 . 3.800 2.168 2.075 2.842 . 0 0 "[ . 1 . 2]" 1
1023 1 17 ARG HA 1 20 LEU QB 3.400 . 5.000 2.862 2.671 3.049 . 0 0 "[ . 1 . 2]" 1
1024 1 17 ARG HA 1 20 LEU QD 4.150 . 6.500 3.246 3.024 3.914 . 0 0 "[ . 1 . 2]" 1
1025 1 123 VAL QG 1 127 LEU QD 3.900 . 6.000 2.393 1.843 3.249 . 0 0 "[ . 1 . 2]" 1
1026 1 14 VAL QG 1 15 LEU HA 4.150 . 6.500 3.061 2.678 3.351 . 0 0 "[ . 1 . 2]" 1
1027 1 64 ILE HB 1 89 VAL MG2 4.150 . 6.500 3.744 3.614 4.073 . 0 0 "[ . 1 . 2]" 1
1028 1 127 LEU MD1 1 130 ILE HB 4.150 . 6.500 4.073 3.201 5.431 . 0 0 "[ . 1 . 2]" 1
1029 1 14 VAL QG 1 47 ALA MB 3.900 . 6.000 3.707 3.370 3.961 . 0 0 "[ . 1 . 2]" 1
1030 1 65 ILE MG 1 69 LEU QD 3.050 . 4.300 1.954 1.852 2.224 . 0 0 "[ . 1 . 2]" 1
1031 1 107 ILE MG 1 108 VAL MG2 3.050 . 4.300 2.483 2.366 2.623 . 0 0 "[ . 1 . 2]" 1
1032 1 89 VAL MG2 1 130 ILE MG 3.050 . 4.300 2.067 1.986 2.188 . 0 0 "[ . 1 . 2]" 1
1033 1 107 ILE MG 1 110 LEU MD2 3.050 . 4.300 2.380 2.225 2.534 . 0 0 "[ . 1 . 2]" 1
1034 1 74 ILE MD 1 82 ARG QD 3.650 . 5.500 2.612 1.926 2.966 . 0 0 "[ . 1 . 2]" 1
1035 1 69 LEU QD 1 74 ILE MD 3.900 . 6.000 2.600 2.177 2.773 . 0 0 "[ . 1 . 2]" 1
1036 1 69 LEU QD 1 130 ILE MD 4.400 . 7.000 2.844 2.124 4.076 . 0 0 "[ . 1 . 2]" 1
1037 1 10 THR HB 1 32 VAL QG 4.150 . 6.500 3.179 2.935 3.507 . 0 0 "[ . 1 . 2]" 1
1038 1 69 LEU QD 1 73 SER QB 4.150 . 6.500 2.284 2.133 2.481 . 0 0 "[ . 1 . 2]" 1
1039 1 17 ARG HD2 1 32 VAL MG1 4.150 . 6.500 4.810 3.813 5.345 . 0 0 "[ . 1 . 2]" 1
1040 1 63 SER HA 1 63 SER QB 2.250 . 2.700 2.125 2.039 2.174 . 0 0 "[ . 1 . 2]" 1
1041 1 107 ILE HA 1 110 LEU QB 3.900 . 6.000 2.758 2.463 5.016 . 0 0 "[ . 1 . 2]" 1
1042 1 53 THR MG 1 56 ARG QD 4.150 . 6.500 3.753 2.992 4.596 . 0 0 "[ . 1 . 2]" 1
1043 1 103 VAL QG 1 104 PHE HA 4.150 . 6.500 2.891 2.774 3.072 . 0 0 "[ . 1 . 2]" 1
1044 1 66 GLU HA 1 69 LEU QD 3.650 . 5.500 1.893 1.737 2.084 0.063 16 0 "[ . 1 . 2]" 1
1045 1 31 GLU QG 1 32 VAL QG 4.150 . 6.500 4.263 3.984 4.613 . 0 0 "[ . 1 . 2]" 1
1046 1 23 GLU QG 1 28 LEU QD 4.150 . 6.500 3.279 2.383 3.501 . 0 0 "[ . 1 . 2]" 1
1047 1 80 VAL QG 1 115 ALA HA 4.150 . 6.500 3.098 2.622 3.285 . 0 0 "[ . 1 . 2]" 1
1048 1 79 TYR HA 1 82 ARG QB 3.900 . 6.000 3.095 2.834 3.381 . 0 0 "[ . 1 . 2]" 1
1049 1 10 THR HA 1 13 LEU QD 4.150 . 6.500 2.585 2.278 3.608 . 0 0 "[ . 1 . 2]" 1
1050 1 128 SER HA 1 131 TYR HA 3.900 . 6.000 5.209 5.037 5.477 . 0 0 "[ . 1 . 2]" 1
1051 1 46 TYR HA 1 49 LYS QG 3.900 . 6.000 5.017 4.691 5.266 . 0 0 "[ . 1 . 2]" 1
1052 1 80 VAL QG 1 81 GLU HA 4.150 . 6.500 3.729 3.472 4.011 . 0 0 "[ . 1 . 2]" 1
1053 1 89 VAL QG 1 92 LEU QD 3.900 . 6.000 3.061 2.204 3.536 . 0 0 "[ . 1 . 2]" 1
1054 1 11 ALA MB 1 50 LEU QB 3.650 . 5.500 2.423 2.213 2.643 . 0 0 "[ . 1 . 2]" 1
1055 1 11 ALA MB 1 50 LEU QB 3.650 . 5.500 2.550 2.226 2.974 . 0 0 "[ . 1 . 2]" 1
1056 1 53 THR MG 1 94 PHE HA 4.150 . 6.500 4.036 3.652 4.348 . 0 0 "[ . 1 . 2]" 1
1057 1 41 LYS HA 1 44 TYR HA 3.400 . 5.000 4.382 4.326 4.464 . 0 0 "[ . 1 . 2]" 1
1058 1 13 LEU HA 1 32 VAL MG2 4.150 . 6.500 2.699 2.599 2.766 . 0 0 "[ . 1 . 2]" 1
1059 1 29 PHE QB 1 32 VAL QG 3.650 . 5.500 3.306 3.168 3.473 . 0 0 "[ . 1 . 2]" 1
1060 1 80 VAL QG 1 114 TYR QB 3.650 . 5.500 2.690 2.595 2.743 . 0 0 "[ . 1 . 2]" 1
1061 1 58 ILE HA 1 58 ILE MG 2.800 . 3.800 2.561 2.244 3.203 . 0 0 "[ . 1 . 2]" 1
1062 1 131 TYR HA 1 134 TYR QB 3.400 . 5.000 2.729 2.407 3.134 . 0 0 "[ . 1 . 2]" 1
1063 1 65 ILE HB 1 69 LEU QD 4.150 . 6.500 3.386 2.814 3.885 . 0 0 "[ . 1 . 2]" 1
1064 1 33 VAL QG 1 47 ALA MB 4.400 . 7.000 4.471 4.296 4.708 . 0 0 "[ . 1 . 2]" 1
1065 1 134 TYR QE 1 135 ILE HA 3.900 . 5.000 4.361 3.876 4.858 . 0 0 "[ . 1 . 2]" 1
1066 1 9 ASP HA 1 9 ASP QB 2.550 . 3.300 2.346 2.175 2.436 . 0 0 "[ . 1 . 2]" 1
1067 1 46 TYR HA 1 46 TYR QE 3.400 . 5.000 4.466 4.258 4.591 . 0 0 "[ . 1 . 2]" 1
1068 1 15 LEU QD 1 87 LEU HA 3.650 . 5.500 2.455 2.172 2.564 . 0 0 "[ . 1 . 2]" 1
1069 1 93 ILE HA 1 93 ILE HB 2.550 . 3.300 2.276 2.181 2.617 . 0 0 "[ . 1 . 2]" 1
1070 1 135 ILE HA 1 135 ILE MG 2.800 . 3.200 2.570 2.102 2.716 . 0 0 "[ . 1 . 2]" 1
1071 1 32 VAL QG 1 38 ILE MG 3.900 . 6.000 1.980 1.855 2.275 . 0 0 "[ . 1 . 2]" 1
1072 1 10 THR MG 1 11 ALA HA 3.650 . 5.500 2.140 2.026 2.289 . 0 0 "[ . 1 . 2]" 1
1073 1 39 LYS QB 1 39 LYS QE 3.900 . 6.000 3.296 2.039 3.831 . 0 0 "[ . 1 . 2]" 1
1074 1 98 LYS QB 1 98 LYS QE 3.900 . 6.000 3.245 2.246 3.736 . 0 0 "[ . 1 . 2]" 1
1075 1 13 LEU MD2 1 38 ILE MD 3.900 . 6.000 3.316 3.184 3.522 . 0 0 "[ . 1 . 2]" 1
1076 1 17 ARG QG 1 28 LEU QD 3.650 . 5.500 2.231 1.897 2.998 . 0 0 "[ . 1 . 2]" 1
1077 1 50 LEU QD 1 87 LEU QD 4.400 . 7.000 2.393 1.836 3.049 . 0 0 "[ . 1 . 2]" 1
1078 1 9 ASP QB 1 10 THR HA 3.900 . 6.000 4.001 3.821 4.599 . 0 0 "[ . 1 . 2]" 1
1079 1 30 LYS QE 1 30 LYS HG2 2.250 . 2.700 1.850 1.762 1.955 0.038 16 0 "[ . 1 . 2]" 1
1080 1 5 LYS QE 1 5 LYS QG 2.250 . 2.700 1.807 1.754 1.868 0.046 16 0 "[ . 1 . 2]" 1
1081 1 81 GLU HA 1 85 LEU QD 4.150 . 6.500 4.434 2.719 5.397 . 0 0 "[ . 1 . 2]" 1
1082 1 15 LEU QD 1 50 LEU QB 3.650 . 5.500 3.229 2.299 4.065 . 0 0 "[ . 1 . 2]" 1
1083 1 14 VAL MG2 1 29 PHE HA 3.650 . 5.500 2.107 2.016 2.179 . 0 0 "[ . 1 . 2]" 1
1084 1 91 GLU HA 1 103 VAL QG 4.150 . 6.500 4.213 3.907 4.509 . 0 0 "[ . 1 . 2]" 1
1085 1 8 ARG HA 1 50 LEU MD1 3.650 . 5.500 3.420 3.025 3.764 . 0 0 "[ . 1 . 2]" 1
1086 1 41 LYS HA 1 41 LYS QE 3.400 . 5.000 3.566 3.174 3.893 . 0 0 "[ . 1 . 2]" 1
1087 1 113 LYS HA 1 113 LYS QE 3.900 . 6.000 4.115 3.673 4.358 . 0 0 "[ . 1 . 2]" 1
1088 1 103 VAL MG1 1 104 PHE HB2 3.650 . 5.500 4.218 3.830 4.392 . 0 0 "[ . 1 . 2]" 1
1089 1 63 SER HA 1 66 GLU HG3 3.400 . 5.000 3.786 2.782 4.974 . 0 0 "[ . 1 . 2]" 1
1090 1 44 TYR HA 1 47 ALA MB 2.800 . 3.800 2.525 2.352 2.637 . 0 0 "[ . 1 . 2]" 1
1091 1 91 GLU QG 1 103 VAL QG 3.650 . 5.500 2.322 1.961 3.041 . 0 0 "[ . 1 . 2]" 1
1092 1 104 PHE HA 1 107 ILE MG 4.150 . 6.500 3.665 3.409 4.010 . 0 0 "[ . 1 . 2]" 1
1093 1 38 ILE MG 1 44 TYR HA 2.800 . 3.800 2.634 2.261 2.879 . 0 0 "[ . 1 . 2]" 1
1094 1 19 ASP HA 1 19 ASP QB 2.550 . 2.700 2.387 2.312 2.449 . 0 0 "[ . 1 . 2]" 1
1095 1 53 THR MG 1 54 ALA HA 3.650 . 5.500 3.743 3.566 3.887 . 0 0 "[ . 1 . 2]" 1
1096 1 14 VAL HB 1 51 VAL QG 4.150 . 6.500 2.232 1.893 3.206 . 0 0 "[ . 1 . 2]" 1
1097 1 28 LEU QD 1 31 GLU HB3 4.150 . 6.500 3.514 3.133 4.052 . 0 0 "[ . 1 . 2]" 1
1098 1 38 ILE HA 1 38 ILE HG12 2.550 . 3.300 2.987 2.845 3.224 . 0 0 "[ . 1 . 2]" 1
1099 1 53 THR MG 1 94 PHE HA 3.650 . 5.500 4.094 3.680 4.429 . 0 0 "[ . 1 . 2]" 1
1100 1 8 ARG HA 1 11 ALA MB 2.800 . 3.800 2.652 2.334 2.953 . 0 0 "[ . 1 . 2]" 1
1101 1 17 ARG HA 1 28 LEU QD 3.650 . 5.500 2.014 1.981 2.060 . 0 0 "[ . 1 . 2]" 1
1102 1 33 VAL QG 1 34 GLU HA 3.650 . 5.500 4.296 4.269 4.313 . 0 0 "[ . 1 . 2]" 1
1103 1 108 VAL QG 1 109 ASP HA 3.650 . 5.500 3.583 3.471 3.748 . 0 0 "[ . 1 . 2]" 1
1104 1 53 THR MG 1 90 ALA MB 2.750 . 3.700 1.894 1.820 1.982 . 0 0 "[ . 1 . 2]" 1
1105 1 5 LYS HA 1 8 ARG QD 3.900 . 6.000 3.368 2.461 3.892 . 0 0 "[ . 1 . 2]" 1
1106 1 66 GLU HA 1 69 LEU QD 3.650 . 5.500 2.051 1.861 2.719 . 0 0 "[ . 1 . 2]" 1
1107 1 66 GLU HA 1 69 LEU QB 3.400 . 5.000 2.204 1.921 2.619 . 0 0 "[ . 1 . 2]" 1
1108 1 48 LYS HA 1 48 LYS QE 3.400 . 5.000 4.283 3.896 4.517 . 0 0 "[ . 1 . 2]" 1
1109 1 10 THR MG 1 11 ALA MB 4.400 . 7.000 2.929 2.676 3.269 . 0 0 "[ . 1 . 2]" 1
1110 1 55 VAL MG1 1 56 ARG HA 2.800 . 3.800 1.986 1.871 2.282 . 0 0 "[ . 1 . 2]" 1
1111 1 15 LEU HA 1 16 TYR HA 3.900 . 6.000 4.818 4.775 4.840 . 0 0 "[ . 1 . 2]" 1
1112 1 106 ASP HA 1 106 ASP QB 2.250 . 2.700 2.141 2.087 2.248 . 0 0 "[ . 1 . 2]" 1
1113 1 105 ILE MG 1 109 ASP QB 4.150 . 5.500 2.857 2.692 3.377 . 0 0 "[ . 1 . 2]" 1
1114 1 49 LYS QB 1 52 ASP QB 3.900 . 6.000 4.341 4.053 4.632 . 0 0 "[ . 1 . 2]" 1
1115 1 24 ASN QB 1 25 PRO QD 3.900 . 6.000 3.706 3.549 3.826 . 0 0 "[ . 1 . 2]" 1
1116 1 17 ARG HA 1 21 ARG QB 3.400 . 5.000 4.130 3.989 4.342 . 0 0 "[ . 1 . 2]" 1
1117 1 59 GLU HA 1 59 GLU QB 2.250 . 2.700 2.453 2.436 2.478 . 0 0 "[ . 1 . 2]" 1
1118 1 4 ARG QG 1 7 ALA MB 4.150 . 6.500 4.500 2.962 4.970 . 0 0 "[ . 1 . 2]" 1
1119 1 118 LYS HA 1 118 LYS HG3 2.250 . 2.700 2.468 2.258 2.705 0.005 5 0 "[ . 1 . 2]" 1
1120 1 92 LEU QD 1 103 VAL MG1 3.900 . 6.000 2.361 1.840 3.111 . 0 0 "[ . 1 . 2]" 1
1121 1 81 GLU HA 1 123 VAL QG 4.150 . 6.500 2.176 1.966 2.391 . 0 0 "[ . 1 . 2]" 1
1122 1 5 LYS HA 1 5 LYS QE 3.400 . 5.000 3.001 2.879 3.154 . 0 0 "[ . 1 . 2]" 1
1123 1 41 LYS HA 1 41 LYS QE 3.400 . 5.000 3.527 2.288 4.007 . 0 0 "[ . 1 . 2]" 1
1124 1 7 ALA MB 1 10 THR MG 4.400 . 7.000 4.600 4.292 4.822 . 0 0 "[ . 1 . 2]" 1
1125 1 24 ASN QB 1 28 LEU MD1 4.150 . 6.500 3.448 2.840 3.950 . 0 0 "[ . 1 . 2]" 1
1126 1 33 VAL QG 1 34 GLU HA 3.650 . 5.500 3.246 2.866 3.449 . 0 0 "[ . 1 . 2]" 1
1127 1 28 LEU HA 1 31 GLU HA 3.900 . 6.000 4.736 4.463 4.909 . 0 0 "[ . 1 . 2]" 1
1128 1 34 GLU HA 1 34 GLU QG 2.250 . 2.700 2.212 2.145 2.259 . 0 0 "[ . 1 . 2]" 1
1129 1 62 ASP QB 1 74 ILE MD 3.650 . 5.500 2.704 2.106 3.396 . 0 0 "[ . 1 . 2]" 1
1130 1 12 PHE QB 1 12 PHE QE 3.900 . 6.000 3.967 3.963 3.971 . 0 0 "[ . 1 . 2]" 1
1131 1 14 VAL HB 1 15 LEU HB2 3.900 . 6.000 4.777 3.986 6.103 0.103 3 0 "[ . 1 . 2]" 1
1132 1 49 LYS QB 1 50 LEU HA 3.400 . 5.000 3.975 3.812 4.155 . 0 0 "[ . 1 . 2]" 1
1133 1 121 LYS HA 1 121 LYS QD 3.400 . 5.000 3.377 2.236 4.080 . 0 0 "[ . 1 . 2]" 1
1134 1 12 PHE QB 1 87 LEU QD 4.150 . 6.500 1.978 1.851 2.233 . 0 0 "[ . 1 . 2]" 1
1135 1 12 PHE QB 1 110 LEU QD 4.150 . 6.500 2.221 1.890 2.729 . 0 0 "[ . 1 . 2]" 1
1136 1 41 LYS HA 1 41 LYS QG 2.550 . 3.300 2.071 1.942 2.260 . 0 0 "[ . 1 . 2]" 1
1137 1 14 VAL QG 1 15 LEU HA 3.650 . 5.500 3.863 2.928 4.275 . 0 0 "[ . 1 . 2]" 1
1138 1 4 ARG HA 1 4 ARG QD 3.900 . 6.000 3.384 2.267 3.802 . 0 0 "[ . 1 . 2]" 1
1139 1 84 ALA MB 1 123 VAL QG 4.400 . 7.000 2.455 2.054 2.666 . 0 0 "[ . 1 . 2]" 1
1140 1 94 PHE QB 1 95 LEU HB2 3.400 . 5.000 3.776 3.428 4.456 . 0 0 "[ . 1 . 2]" 1
1141 1 132 LYS HA 1 135 ILE HB 3.400 . 5.000 4.778 3.755 5.048 0.048 12 0 "[ . 1 . 2]" 1
1142 1 132 LYS HA 1 135 ILE MG 3.650 . 5.500 2.706 2.203 4.663 . 0 0 "[ . 1 . 2]" 1
1143 1 35 GLU HA 1 35 GLU QG 2.550 . 3.300 2.115 2.009 2.267 . 0 0 "[ . 1 . 2]" 1
1144 1 31 GLU HA 1 31 GLU QG 2.550 . 3.300 2.396 2.245 3.059 . 0 0 "[ . 1 . 2]" 1
1145 1 84 ALA MB 1 115 ALA MB 4.400 . 7.000 4.466 4.145 4.740 . 0 0 "[ . 1 . 2]" 1
1146 1 62 ASP QB 1 65 ILE MG 4.150 . 6.500 2.694 2.585 3.024 . 0 0 "[ . 1 . 2]" 1
1147 1 62 ASP QB 1 74 ILE MD 4.150 . 6.500 2.550 1.831 3.050 . 0 0 "[ . 1 . 2]" 1
1148 1 64 ILE HB 1 64 ILE MD 2.800 . 3.800 2.377 2.318 3.151 . 0 0 "[ . 1 . 2]" 1
1149 1 84 ALA MB 1 88 GLY HA3 4.150 . 6.500 3.463 3.418 3.508 . 0 0 "[ . 1 . 2]" 1
1150 1 13 LEU QD 1 16 TYR QB 4.150 . 6.500 3.477 3.008 3.849 . 0 0 "[ . 1 . 2]" 1
1151 1 111 VAL QG 1 114 TYR HB2 3.650 . 5.500 3.732 3.445 4.141 . 0 0 "[ . 1 . 2]" 1
1152 1 15 LEU QD 1 16 TYR QB 4.150 . 6.500 2.355 2.198 2.702 . 0 0 "[ . 1 . 2]" 1
1153 1 12 PHE QB 1 87 LEU MD1 3.650 . 5.500 2.128 1.960 2.364 . 0 0 "[ . 1 . 2]" 1
1154 1 44 TYR HA 1 44 TYR QE 3.900 . 6.000 4.611 4.540 4.753 . 0 0 "[ . 1 . 2]" 1
1155 1 102 ARG QD 1 105 ILE HB 3.900 . 6.000 3.514 2.523 4.796 . 0 0 "[ . 1 . 2]" 1
1156 1 55 VAL QG 1 56 ARG HA 3.650 . 5.500 1.955 1.850 2.210 . 0 0 "[ . 1 . 2]" 1
1157 1 119 ALA MB 1 122 PHE QB 3.650 . 5.500 3.899 3.757 3.989 . 0 0 "[ . 1 . 2]" 1
1158 1 3 TYR QB 1 3 TYR QE 5.400 3.800 7.000 3.548 3.543 3.557 0.257 5 0 "[ . 1 . 2]" 1
1159 1 133 ALA MB 1 134 TYR QB 4.800 3.800 5.800 3.937 3.804 4.020 . 0 0 "[ . 1 . 2]" 1
1160 1 65 ILE MG 1 66 GLU QG 3.650 . 5.500 2.573 2.144 3.566 . 0 0 "[ . 1 . 2]" 1
1161 1 65 ILE MG 1 74 ILE MG 2.750 . 3.700 2.298 2.080 2.493 . 0 0 "[ . 1 . 2]" 1
1162 1 129 ALA MB 1 132 LYS QB 3.650 . 5.500 3.610 3.485 3.763 . 0 0 "[ . 1 . 2]" 1
1163 1 54 ALA MB 1 55 VAL HB 3.650 . 5.500 4.443 4.408 4.548 . 0 0 "[ . 1 . 2]" 1
1164 1 107 ILE MG 1 108 VAL HB 3.650 . 5.500 3.898 3.674 4.048 . 0 0 "[ . 1 . 2]" 1
1165 1 81 GLU QB 1 123 VAL QG 3.650 . 5.500 2.081 1.951 2.177 . 0 0 "[ . 1 . 2]" 1
1166 1 65 ILE MG 1 74 ILE QG 3.650 . 5.500 3.562 2.402 3.818 . 0 0 "[ . 1 . 2]" 1
1167 1 16 TYR QE 1 80 VAL HA 3.400 . 5.000 2.761 2.261 3.891 . 0 0 "[ . 1 . 2]" 1
1168 1 13 LEU HA 1 13 LEU HG 3.900 . 6.000 3.498 2.620 3.657 . 0 0 "[ . 1 . 2]" 1
1169 1 54 ALA MB 1 55 VAL HA 4.150 . 6.500 3.742 3.712 3.795 . 0 0 "[ . 1 . 2]" 1
1170 1 92 LEU HA 1 97 SER QB 3.900 . 6.000 4.032 3.603 4.232 . 0 0 "[ . 1 . 2]" 1
1171 1 64 ILE MG 1 130 ILE HA 4.150 . 6.500 3.141 3.008 3.468 . 0 0 "[ . 1 . 2]" 1
1172 1 27 GLU HA 1 30 LYS QG 3.900 . 6.000 4.389 2.432 5.209 . 0 0 "[ . 1 . 2]" 1
1173 1 9 ASP HA 1 110 LEU QD 4.150 . 6.500 2.135 1.900 2.726 . 0 0 "[ . 1 . 2]" 1
1174 1 61 ILE MG 1 89 VAL QG 2.750 . 3.700 1.606 1.580 1.649 0.220 5 0 "[ . 1 . 2]" 1
1175 1 13 LEU HA 1 32 VAL QG 4.150 . 6.500 2.802 2.780 2.832 . 0 0 "[ . 1 . 2]" 1
1176 1 16 TYR QE 1 79 TYR HA 3.900 . 6.000 4.687 4.114 4.975 . 0 0 "[ . 1 . 2]" 1
1177 1 121 LYS HA 1 121 LYS QE 3.400 . 5.000 4.093 3.455 4.419 . 0 0 "[ . 1 . 2]" 1
1178 1 53 THR MG 1 94 PHE HB2 3.650 . 5.500 1.961 1.804 2.121 . 0 0 "[ . 1 . 2]" 1
1179 1 54 ALA MB 1 55 VAL QG 4.400 . 7.000 2.417 2.203 2.631 . 0 0 "[ . 1 . 2]" 1
1180 1 134 TYR HA 1 134 TYR QE 3.400 . 5.000 4.482 4.422 4.593 . 0 0 "[ . 1 . 2]" 1
1181 1 66 GLU HG3 1 74 ILE HB 3.900 . 6.000 3.391 2.765 4.461 . 0 0 "[ . 1 . 2]" 1
1182 1 61 ILE HB 1 62 ASP HA 3.900 . 6.000 2.473 2.317 2.658 . 0 0 "[ . 1 . 2]" 1
1183 1 7 ALA MB 1 43 ALA MB 3.050 . 4.300 2.440 2.353 2.611 . 0 0 "[ . 1 . 2]" 1
1184 1 65 ILE MG 1 129 ALA MB 4.400 . 7.000 4.676 4.496 4.740 . 0 0 "[ . 1 . 2]" 1
1185 1 87 LEU HA 1 90 ALA MB 3.650 . 3.800 2.477 2.357 2.749 . 0 0 "[ . 1 . 2]" 1
1186 1 130 ILE MG 1 133 ALA MB 3.900 . 6.000 3.256 2.918 3.554 . 0 0 "[ . 1 . 2]" 1
1187 1 132 LYS QE 1 133 ALA HA 3.900 . 6.000 4.940 3.514 5.328 . 0 0 "[ . 1 . 2]" 1
1188 1 27 GLU HA 1 27 GLU QG 2.250 . 2.700 2.007 1.965 2.094 . 0 0 "[ . 1 . 2]" 1
1189 1 64 ILE HB 1 65 ILE MG 4.150 . 6.500 2.745 2.169 3.847 . 0 0 "[ . 1 . 2]" 1
1190 1 46 TYR QE 1 49 LYS QB 3.900 . 6.000 4.556 3.928 4.924 . 0 0 "[ . 1 . 2]" 1
1191 1 70 LYS HA 1 70 LYS QB 2.250 . 2.700 2.216 2.170 2.238 . 0 0 "[ . 1 . 2]" 1
1192 1 33 VAL HA 1 38 ILE MG 3.650 . 5.500 4.639 4.579 4.712 . 0 0 "[ . 1 . 2]" 1
1193 1 41 LYS QG 1 42 ASP HA 3.900 . 6.000 4.027 3.664 4.546 . 0 0 "[ . 1 . 2]" 1
1194 1 50 LEU QD 1 90 ALA MB 4.400 . 7.000 3.083 2.782 3.327 . 0 0 "[ . 1 . 2]" 1
1195 1 7 ALA HA 1 10 THR MG 3.650 . 5.500 3.447 3.141 3.791 . 0 0 "[ . 1 . 2]" 1
1196 1 127 LEU HA 1 130 ILE HB 3.400 . 5.000 3.767 3.492 4.180 . 0 0 "[ . 1 . 2]" 1
1197 1 42 ASP HB2 1 43 ALA MB 2.800 . 4.300 3.572 3.515 3.616 . 0 0 "[ . 1 . 2]" 1
1198 1 62 ASP HA 1 65 ILE MG 3.650 . 3.800 2.577 2.519 2.636 . 0 0 "[ . 1 . 2]" 1
1199 1 65 ILE MG 1 67 LYS HA 4.150 . 6.500 3.773 3.420 4.112 . 0 0 "[ . 1 . 2]" 1
1200 1 38 ILE MG 1 39 LYS HA 3.650 . 5.500 4.406 3.959 4.496 . 0 0 "[ . 1 . 2]" 1
1201 1 23 GLU HA 1 23 GLU QG 2.550 . 3.300 2.411 2.168 3.288 . 0 0 "[ . 1 . 2]" 1
1202 1 65 ILE MG 1 130 ILE MD 3.900 . 6.000 4.086 3.981 4.139 . 0 0 "[ . 1 . 2]" 1
1203 1 65 ILE MG 1 66 GLU QB 4.150 . 6.500 3.092 2.732 3.359 . 0 0 "[ . 1 . 2]" 1
1204 1 70 LYS HA 1 70 LYS QB 2.250 . 2.700 2.470 2.427 2.535 . 0 0 "[ . 1 . 2]" 1
1205 1 15 LEU QD 1 52 ASP HA 4.150 . 6.500 4.860 4.646 4.955 . 0 0 "[ . 1 . 2]" 1
1206 1 20 LEU QB 1 21 ARG HA 3.900 . 6.000 3.967 3.877 4.009 . 0 0 "[ . 1 . 2]" 1
1207 1 23 GLU QG 1 28 LEU MD1 3.650 . 5.500 4.300 3.068 4.562 . 0 0 "[ . 1 . 2]" 1
1208 1 23 GLU QG 1 28 LEU QD 4.150 . 6.500 3.768 2.413 4.302 . 0 0 "[ . 1 . 2]" 1
1209 1 23 GLU QG 1 28 LEU QD 3.650 . 5.500 4.009 2.421 4.494 . 0 0 "[ . 1 . 2]" 1
1210 1 107 ILE MG 1 110 LEU QD 3.900 . 6.000 2.318 2.188 2.453 . 0 0 "[ . 1 . 2]" 1
1211 1 130 ILE MG 1 131 TYR HA 3.650 . 5.500 3.139 3.067 3.284 . 0 0 "[ . 1 . 2]" 1
1212 1 41 LYS HA 1 42 ASP HA 3.900 . 6.000 4.035 3.981 4.048 . 0 0 "[ . 1 . 2]" 1
1213 1 44 TYR QE 1 45 GLU HG3 3.900 . 6.000 5.088 4.116 5.638 . 0 0 "[ . 1 . 2]" 1
1214 1 65 ILE MD 1 68 HIS HB2 4.150 . 6.500 4.168 3.486 4.682 . 0 0 "[ . 1 . 2]" 1
1215 1 31 GLU HG2 1 32 VAL HA 3.900 . 6.000 3.704 3.285 4.342 . 0 0 "[ . 1 . 2]" 1
1216 1 65 ILE MD 1 85 LEU MD1 3.900 . 6.000 2.315 2.052 2.569 . 0 0 "[ . 1 . 2]" 1
1217 1 92 LEU MD2 1 130 ILE MG 3.900 . 6.000 2.709 1.881 3.260 . 0 0 "[ . 1 . 2]" 1
1218 1 53 THR MG 1 90 ALA HA 3.650 . 5.500 2.478 2.259 2.658 . 0 0 "[ . 1 . 2]" 1
1219 1 35 GLU HA 1 35 GLU QG 2.550 . 3.300 2.467 2.255 2.627 . 0 0 "[ . 1 . 2]" 1
1220 1 34 GLU HA 1 34 GLU HG2 2.250 . 2.700 2.657 2.622 2.704 0.004 13 0 "[ . 1 . 2]" 1
1221 1 90 ALA HA 1 94 PHE QB 3.900 . 6.000 2.874 2.527 3.182 . 0 0 "[ . 1 . 2]" 1
1222 1 53 THR MG 1 54 ALA HA 4.150 . 6.500 3.459 3.349 3.573 . 0 0 "[ . 1 . 2]" 1
1223 1 129 ALA MB 1 130 ILE MD 4.400 . 7.000 4.717 4.593 4.782 . 0 0 "[ . 1 . 2]" 1
1224 1 90 ALA MB 1 130 ILE MD 5.400 2.800 9.000 6.108 5.994 6.214 . 0 0 "[ . 1 . 2]" 1
1225 1 72 TRP QB 1 72 TRP HZ2 3.900 . 6.000 5.567 5.560 5.577 . 0 0 "[ . 1 . 2]" 1
1226 1 61 ILE QG 1 64 ILE MG 4.150 . 6.500 4.605 4.448 4.719 . 0 0 "[ . 1 . 2]" 1
1227 1 65 ILE HA 1 130 ILE MG 3.650 . 5.500 4.372 4.218 4.487 . 0 0 "[ . 1 . 2]" 1
1228 1 129 ALA MB 1 132 LYS HG2 4.150 . 6.500 4.625 3.842 5.347 . 0 0 "[ . 1 . 2]" 1
1229 1 54 ALA MB 1 89 VAL QG 4.400 . 7.000 3.968 3.629 4.186 . 0 0 "[ . 1 . 2]" 1
1230 1 15 LEU QD 1 61 ILE MG 4.400 . 7.000 3.527 2.705 4.472 . 0 0 "[ . 1 . 2]" 1
1231 1 32 VAL QG 1 34 GLU QG 4.150 . 6.500 4.312 4.275 4.343 . 0 0 "[ . 1 . 2]" 1
1232 1 35 GLU HA 1 36 LYS HA 3.400 . 5.000 4.664 4.595 4.757 . 0 0 "[ . 1 . 2]" 1
1233 1 93 ILE HB 1 134 TYR QD 3.900 . 6.000 4.723 4.306 5.167 . 0 0 "[ . 1 . 2]" 1
1234 1 18 TRP HA 1 23 GLU HA 3.900 . 6.000 5.673 3.844 6.023 0.023 6 0 "[ . 1 . 2]" 1
1235 1 7 ALA HA 1 47 ALA MB 3.650 . 5.500 2.158 2.084 2.222 . 0 0 "[ . 1 . 2]" 1
1236 1 65 ILE HB 1 74 ILE MD 3.650 . 5.500 3.206 2.944 3.343 . 0 0 "[ . 1 . 2]" 1
1237 1 133 ALA HA 1 134 TYR QB 4.900 2.800 7.000 5.181 5.157 5.207 . 0 0 "[ . 1 . 2]" 1
1238 1 89 VAL HB 1 130 ILE MD 3.650 . 5.500 1.937 1.899 2.023 . 0 0 "[ . 1 . 2]" 1
1239 1 69 LEU QD 1 74 ILE MD 3.900 . 6.000 3.933 2.486 4.205 . 0 0 "[ . 1 . 2]" 1
1240 1 86 ARG HA 1 130 ILE MD 4.150 . 6.500 4.455 4.280 4.723 . 0 0 "[ . 1 . 2]" 1
1241 1 52 ASP HA 1 54 ALA H 3.400 . 5.000 3.762 3.634 3.886 . 0 0 "[ . 1 . 2]" 1
1242 1 26 GLY QA 1 28 LEU H 3.900 . 6.000 4.230 4.138 4.357 . 0 0 "[ . 1 . 2]" 1
1243 1 32 VAL H 1 34 GLU QB 4.400 2.800 6.000 5.275 5.254 5.297 . 0 0 "[ . 1 . 2]" 1
1244 1 7 ALA MB 1 47 ALA H 4.150 . 6.500 2.558 2.341 2.894 . 0 0 "[ . 1 . 2]" 1
1245 1 13 LEU H 1 16 TYR QB 3.900 . 6.000 4.465 4.181 4.719 . 0 0 "[ . 1 . 2]" 1
1246 1 105 ILE MG 1 110 LEU H 4.150 . 6.500 5.451 5.418 5.566 . 0 0 "[ . 1 . 2]" 1
1247 1 105 ILE MG 1 108 VAL H 4.150 . 6.500 4.459 4.406 4.524 . 0 0 "[ . 1 . 2]" 1
1248 1 41 LYS HB3 1 42 ASP H 2.250 . 2.700 2.732 2.703 2.755 0.055 8 0 "[ . 1 . 2]" 1
1249 1 49 LYS H 1 49 LYS QB 2.250 . 2.700 2.224 2.120 2.257 . 0 0 "[ . 1 . 2]" 1
1250 1 122 PHE QB 1 123 VAL H 3.400 . 5.000 2.629 2.445 2.760 . 0 0 "[ . 1 . 2]" 1
1251 1 123 VAL H 1 124 ASN QB 3.400 . 5.000 4.548 4.362 4.853 . 0 0 "[ . 1 . 2]" 1
1252 1 30 LYS QB 1 31 GLU H 2.250 . 2.700 2.197 2.007 2.409 . 0 0 "[ . 1 . 2]" 1
1253 1 132 LYS H 1 132 LYS QB 2.250 . 2.700 2.196 2.035 2.263 . 0 0 "[ . 1 . 2]" 1
1254 1 41 LYS HB3 1 42 ASP H 2.550 . 3.300 2.607 2.353 2.660 . 0 0 "[ . 1 . 2]" 1
1255 1 98 LYS QB 1 99 GLU H 3.400 . 5.000 2.941 2.199 3.964 . 0 0 "[ . 1 . 2]" 1
1256 1 112 LYS H 1 112 LYS HB2 2.250 . 2.700 2.487 2.067 2.663 . 0 0 "[ . 1 . 2]" 1
1257 1 31 GLU H 1 31 GLU QB 2.250 . 2.700 2.186 2.130 2.244 . 0 0 "[ . 1 . 2]" 1
1258 1 70 LYS H 1 70 LYS QB 3.400 . 5.000 3.092 2.959 3.234 . 0 0 "[ . 1 . 2]" 1
1259 1 117 GLU H 1 117 GLU QB 2.550 . 3.300 2.551 2.241 2.899 . 0 0 "[ . 1 . 2]" 1
1260 1 98 LYS QG 1 99 GLU H 3.900 . 6.000 4.177 3.393 4.696 . 0 0 "[ . 1 . 2]" 1
1261 1 132 LYS H 1 132 LYS QG 3.400 . 5.000 3.835 3.089 4.020 . 0 0 "[ . 1 . 2]" 1
1262 1 116 ASP QB 1 117 GLU H 3.400 . 5.000 2.984 2.461 3.657 . 0 0 "[ . 1 . 2]" 1
1263 1 7 ALA MB 1 8 ARG H 2.800 . 3.800 2.315 2.180 2.486 . 0 0 "[ . 1 . 2]" 1
1264 1 132 LYS H 1 132 LYS HA 2.550 . 3.300 2.812 2.797 2.842 . 0 0 "[ . 1 . 2]" 1
1265 1 42 ASP H 1 42 ASP HB2 2.250 . 2.700 2.722 2.712 2.730 0.030 11 0 "[ . 1 . 2]" 1
1266 1 61 ILE MG 1 65 ILE H 3.650 . 5.500 3.669 3.571 3.787 . 0 0 "[ . 1 . 2]" 1
1267 1 42 ASP H 1 42 ASP HA 2.550 . 3.300 2.787 2.782 2.791 . 0 0 "[ . 1 . 2]" 1
1268 1 70 LYS H 1 70 LYS HA 2.250 . 2.700 2.307 2.294 2.379 . 0 0 "[ . 1 . 2]" 1
1269 1 23 GLU QG 1 24 ASN H 3.400 . 5.000 3.024 1.798 4.211 0.002 9 0 "[ . 1 . 2]" 1
1270 1 69 LEU HA 1 70 LYS H 3.400 . 5.000 3.460 3.268 3.559 . 0 0 "[ . 1 . 2]" 1
1271 1 34 GLU H 1 34 GLU QB 2.250 . 2.700 2.701 2.676 2.723 0.023 3 0 "[ . 1 . 2]" 1
1272 1 14 VAL H 1 87 LEU MD2 4.150 . 6.500 3.312 2.088 3.555 . 0 0 "[ . 1 . 2]" 1
1273 1 32 VAL HA 1 33 VAL H 2.550 . 3.300 2.652 2.648 2.655 . 0 0 "[ . 1 . 2]" 1
1274 1 32 VAL HA 1 34 GLU H 3.400 . 5.000 3.247 3.232 3.271 . 0 0 "[ . 1 . 2]" 1
1275 1 69 LEU H 1 69 LEU HG 3.900 . 6.000 2.453 2.160 4.353 . 0 0 "[ . 1 . 2]" 1
1276 1 69 LEU H 1 69 LEU QB 2.550 . 3.300 2.396 2.082 2.501 . 0 0 "[ . 1 . 2]" 1
1277 1 131 TYR HA 1 135 ILE H 3.900 . 6.000 4.502 4.147 4.855 . 0 0 "[ . 1 . 2]" 1
1278 1 14 VAL H 1 15 LEU HA 3.900 . 6.000 5.203 5.126 5.273 . 0 0 "[ . 1 . 2]" 1
1279 1 67 LYS H 1 67 LYS HA 2.250 . 2.700 2.769 2.763 2.778 0.078 1 0 "[ . 1 . 2]" 1
1280 1 12 PHE QB 1 13 LEU H 3.900 . 6.000 2.354 2.265 2.700 . 0 0 "[ . 1 . 2]" 1
1281 1 16 TYR H 1 16 TYR QB . . 3.300 2.214 2.159 2.240 . 0 0 "[ . 1 . 2]" 1
1282 1 9 ASP H 1 9 ASP HA 2.550 . 3.300 2.821 2.806 2.844 . 0 0 "[ . 1 . 2]" 1
1283 1 87 LEU H 1 87 LEU HA 2.550 . 3.300 2.821 2.794 2.842 . 0 0 "[ . 1 . 2]" 1
1284 1 37 ASN H 1 37 ASN QB 3.400 . 5.000 2.678 2.197 3.164 . 0 0 "[ . 1 . 2]" 1
1285 1 130 ILE H 1 130 ILE MG 3.650 . 5.500 1.949 1.621 3.233 0.179 12 0 "[ . 1 . 2]" 1
1286 1 37 ASN H 1 37 ASN HB2 2.550 . 3.300 2.821 2.293 3.409 0.109 11 0 "[ . 1 . 2]" 1
1287 1 36 LYS HA 1 37 ASN H 2.550 . 3.300 2.681 2.122 3.352 0.052 14 0 "[ . 1 . 2]" 1
1288 1 69 LEU H 1 69 LEU HA 2.550 . 3.300 2.718 2.677 2.793 . 0 0 "[ . 1 . 2]" 1
1289 1 37 ASN H 1 37 ASN HA 2.250 . 2.700 2.657 2.318 2.915 0.215 3 0 "[ . 1 . 2]" 1
1290 1 111 VAL HA 1 113 LYS H 3.400 . 5.000 4.073 4.000 4.189 . 0 0 "[ . 1 . 2]" 1
1291 1 30 LYS QG 1 31 GLU H 3.900 . 6.000 4.138 3.907 4.630 . 0 0 "[ . 1 . 2]" 1
1292 1 63 SER HA 1 67 LYS H 3.400 . 5.000 4.192 3.767 4.460 . 0 0 "[ . 1 . 2]" 1
1293 1 15 LEU QD 1 86 ARG H 3.650 . 5.500 4.011 3.492 4.269 . 0 0 "[ . 1 . 2]" 1
1294 1 124 ASN H 1 125 GLY QA 3.900 . 6.000 4.553 4.518 4.585 . 0 0 "[ . 1 . 2]" 1
1295 1 66 GLU H 1 69 LEU QD 3.650 . 5.500 3.746 3.565 4.119 . 0 0 "[ . 1 . 2]" 1
1296 1 17 ARG H 1 17 ARG QB 2.250 . 2.700 2.085 2.032 2.194 . 0 0 "[ . 1 . 2]" 1
1297 1 81 GLU HA 1 85 LEU H 3.400 . 5.000 3.488 3.276 3.682 . 0 0 "[ . 1 . 2]" 1
1298 1 45 GLU H 1 46 TYR HA 3.400 . 5.000 5.163 5.148 5.176 0.176 5 0 "[ . 1 . 2]" 1
1299 1 43 ALA MB 1 45 GLU H 4.150 . 6.500 4.001 3.949 4.072 . 0 0 "[ . 1 . 2]" 1
1300 1 111 VAL QG 1 114 TYR H 3.650 . 5.500 3.721 3.630 3.785 . 0 0 "[ . 1 . 2]" 1
1301 1 52 ASP HA 1 53 THR H 2.550 . 3.300 3.463 3.441 3.485 0.185 9 0 "[ . 1 . 2]" 1
1302 1 45 GLU H 1 45 GLU QG 3.400 . 5.000 3.556 2.192 4.049 . 0 0 "[ . 1 . 2]" 1
1303 1 53 THR H 1 54 ALA HA 3.400 . 5.000 5.143 5.114 5.176 0.176 6 0 "[ . 1 . 2]" 1
1304 1 53 THR H 1 53 THR HB 2.550 . 3.300 2.524 2.436 2.595 . 0 0 "[ . 1 . 2]" 1
1305 1 53 THR H 1 53 THR MG 3.650 . 5.500 3.742 3.726 3.756 . 0 0 "[ . 1 . 2]" 1
1306 1 55 VAL HB 1 57 HIS H 3.900 . 6.000 4.853 4.745 5.359 . 0 0 "[ . 1 . 2]" 1
1307 1 53 THR HB 1 54 ALA H 2.550 . 3.300 2.713 2.672 2.740 . 0 0 "[ . 1 . 2]" 1
1308 1 25 PRO HA 1 26 GLY H 3.900 . 6.000 3.491 3.447 3.569 . 0 0 "[ . 1 . 2]" 1
1309 1 53 THR HA 1 54 ALA H 2.550 . 3.300 3.419 3.408 3.428 0.128 7 0 "[ . 1 . 2]" 1
1310 1 87 LEU HA 1 89 VAL H 3.900 . 6.000 3.362 3.280 3.499 . 0 0 "[ . 1 . 2]" 1
1311 1 90 ALA H 1 91 GLU HA 3.400 . 5.300 5.414 5.361 5.440 0.140 5 0 "[ . 1 . 2]" 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 86
_Distance_constraint_stats_list.Viol_count 858
_Distance_constraint_stats_list.Viol_total 2124.162
_Distance_constraint_stats_list.Viol_max 0.303
_Distance_constraint_stats_list.Viol_rms 0.0757
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0617
_Distance_constraint_stats_list.Viol_average_violations_only 0.1238
_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 8 ARG 0.243 0.036 4 0 "[ . 1 . 2]"
1 9 ASP 0.060 0.019 17 0 "[ . 1 . 2]"
1 11 ALA 4.629 0.279 3 0 "[ . 1 . 2]"
1 12 PHE 3.259 0.243 3 0 "[ . 1 . 2]"
1 13 LEU 3.895 0.228 17 0 "[ . 1 . 2]"
1 14 VAL 5.555 0.279 3 0 "[ . 1 . 2]"
1 15 LEU 4.481 0.243 3 0 "[ . 1 . 2]"
1 16 TYR 4.665 0.228 17 0 "[ . 1 . 2]"
1 17 ARG 2.224 0.092 19 0 "[ . 1 . 2]"
1 18 TRP 1.282 0.104 20 0 "[ . 1 . 2]"
1 19 ASP 0.770 0.061 19 0 "[ . 1 . 2]"
1 20 LEU 1.056 0.077 9 0 "[ . 1 . 2]"
1 45 GLU 1.767 0.124 5 0 "[ . 1 . 2]"
1 47 ALA 3.554 0.216 10 0 "[ . 1 . 2]"
1 48 LYS 4.601 0.204 7 0 "[ . 1 . 2]"
1 49 LYS 3.859 0.231 3 0 "[ . 1 . 2]"
1 50 LEU 5.672 0.216 10 0 "[ . 1 . 2]"
1 51 VAL 2.834 0.204 7 0 "[ . 1 . 2]"
1 52 ASP 6.334 0.231 3 0 "[ . 1 . 2]"
1 53 THR 2.117 0.184 3 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 2.475 0.155 13 0 "[ . 1 . 2]"
1 58 ILE 1.590 0.126 1 0 "[ . 1 . 2]"
1 59 GLU 1.358 0.132 1 0 "[ . 1 . 2]"
1 61 ILE 3.678 0.130 8 0 "[ . 1 . 2]"
1 62 ASP 2.545 0.132 1 0 "[ . 1 . 2]"
1 63 SER 3.809 0.250 8 0 "[ . 1 . 2]"
1 64 ILE 2.087 0.130 8 0 "[ . 1 . 2]"
1 65 ILE 1.186 0.095 5 0 "[ . 1 . 2]"
1 66 GLU 3.809 0.250 8 0 "[ . 1 . 2]"
1 79 TYR 2.470 0.186 15 0 "[ . 1 . 2]"
1 80 VAL 2.479 0.185 15 0 "[ . 1 . 2]"
1 81 GLU 2.860 0.208 13 0 "[ . 1 . 2]"
1 82 ARG 6.278 0.302 15 0 "[ . 1 . 2]"
1 83 ASN 5.403 0.191 2 0 "[ . 1 . 2]"
1 84 ALA 6.849 0.257 13 0 "[ . 1 . 2]"
1 85 LEU 8.006 0.302 15 0 "[ . 1 . 2]"
1 86 ARG 8.490 0.242 13 0 "[ . 1 . 2]"
1 87 LEU 6.977 0.257 13 0 "[ . 1 . 2]"
1 88 GLY 6.776 0.300 13 0 "[ . 1 . 2]"
1 89 VAL 7.927 0.242 13 0 "[ . 1 . 2]"
1 90 ALA 6.184 0.201 9 0 "[ . 1 . 2]"
1 91 GLU 7.256 0.206 8 0 "[ . 1 . 2]"
1 92 LEU 2.360 0.201 9 0 "[ . 1 . 2]"
1 93 ILE 3.196 0.201 9 0 "[ . 1 . 2]"
1 94 PHE 4.677 0.206 8 0 "[ . 1 . 2]"
1 104 PHE 2.681 0.179 1 0 "[ . 1 . 2]"
1 105 ILE 3.495 0.238 11 0 "[ . 1 . 2]"
1 106 ASP 3.876 0.211 18 0 "[ . 1 . 2]"
1 107 ILE 5.957 0.303 11 0 "[ . 1 . 2]"
1 108 VAL 3.549 0.238 11 0 "[ . 1 . 2]"
1 109 ASP 6.012 0.211 18 0 "[ . 1 . 2]"
1 110 LEU 3.276 0.303 11 0 "[ . 1 . 2]"
1 111 VAL 0.054 0.047 11 0 "[ . 1 . 2]"
1 112 LYS 2.136 0.169 11 0 "[ . 1 . 2]"
1 120 GLY 0.089 0.021 4 0 "[ . 1 . 2]"
1 123 VAL 0.089 0.021 4 0 "[ . 1 . 2]"
1 124 ASN 2.210 0.165 16 0 "[ . 1 . 2]"
1 127 LEU 2.491 0.165 16 0 "[ . 1 . 2]"
1 128 SER 1.319 0.125 3 0 "[ . 1 . 2]"
1 130 ILE 0.280 0.047 20 0 "[ . 1 . 2]"
1 131 TYR 1.319 0.125 3 0 "[ . 1 . 2]"
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 8 ARG O 1 11 ALA H 1.500 . 2.300 2.301 2.209 2.336 0.036 4 0 "[ . 1 . 2]" 2
2 1 11 ALA O 1 14 VAL H 1.500 . 2.300 2.519 2.481 2.579 0.279 3 0 "[ . 1 . 2]" 2
3 1 12 PHE O 1 15 LEU H 1.500 . 2.300 2.460 2.404 2.543 0.243 3 0 "[ . 1 . 2]" 2
4 1 13 LEU O 1 16 TYR H 1.500 . 2.300 2.495 2.463 2.528 0.228 17 0 "[ . 1 . 2]" 2
5 1 14 VAL O 1 17 ARG H 1.500 . 2.300 2.358 2.313 2.392 0.092 19 0 "[ . 1 . 2]" 2
6 1 15 LEU O 1 18 TRP H 1.500 . 2.300 2.364 2.321 2.404 0.104 20 0 "[ . 1 . 2]" 2
7 1 16 TYR O 1 19 ASP H 1.500 . 2.300 2.338 2.314 2.361 0.061 19 0 "[ . 1 . 2]" 2
8 1 17 ARG O 1 20 LEU H 1.500 . 2.300 2.353 2.333 2.377 0.077 9 0 "[ . 1 . 2]" 2
9 1 45 GLU O 1 48 LYS H 1.500 . 2.300 2.388 2.344 2.424 0.124 5 0 "[ . 1 . 2]" 2
10 1 47 ALA O 1 50 LEU H 1.500 . 2.300 2.478 2.417 2.516 0.216 10 0 "[ . 1 . 2]" 2
11 1 48 LYS O 1 51 VAL H 1.500 . 2.300 2.442 2.389 2.504 0.204 7 0 "[ . 1 . 2]" 2
12 1 49 LYS O 1 52 ASP H 1.500 . 2.300 2.493 2.446 2.531 0.231 3 0 "[ . 1 . 2]" 2
13 1 50 LEU O 1 53 THR H 1.500 . 2.300 2.406 2.371 2.484 0.184 3 0 "[ . 1 . 2]" 2
14 1 51 VAL O 1 54 ALA H 1.500 . 2.300 2.022 1.764 2.173 . 0 0 "[ . 1 . 2]" 2
15 1 52 ASP O 1 55 VAL H 1.500 . 2.300 2.424 2.380 2.455 0.155 13 0 "[ . 1 . 2]" 2
16 1 58 ILE O 1 61 ILE H 1.500 . 2.300 2.380 2.333 2.426 0.126 1 0 "[ . 1 . 2]" 2
17 1 59 GLU O 1 62 ASP H 1.500 . 2.300 2.368 2.330 2.432 0.132 1 0 "[ . 1 . 2]" 2
18 1 61 ILE O 1 64 ILE H 1.500 . 2.300 2.404 2.368 2.430 0.130 8 0 "[ . 1 . 2]" 2
19 1 62 ASP O 1 65 ILE H 1.500 . 2.300 2.359 2.318 2.395 0.095 5 0 "[ . 1 . 2]" 2
20 1 63 SER O 1 66 GLU H 1.500 . 2.300 2.490 2.452 2.550 0.250 8 0 "[ . 1 . 2]" 2
21 1 79 TYR O 1 82 ARG H 1.500 . 2.300 2.423 2.393 2.486 0.186 15 0 "[ . 1 . 2]" 2
22 1 80 VAL O 1 83 ASN H 1.500 . 2.300 2.424 2.399 2.485 0.185 15 0 "[ . 1 . 2]" 2
23 1 81 GLU O 1 84 ALA H 1.500 . 2.700 2.843 2.783 2.908 0.208 13 0 "[ . 1 . 2]" 2
24 1 82 ARG O 1 85 LEU H 1.500 . 3.300 2.960 2.844 3.142 . 0 0 "[ . 1 . 2]" 2
25 1 83 ASN O 1 86 ARG H 1.500 . 2.300 2.446 2.387 2.491 0.191 2 0 "[ . 1 . 2]" 2
26 1 84 ALA O 1 87 LEU H 1.500 . 2.300 2.499 2.450 2.557 0.257 13 0 "[ . 1 . 2]" 2
27 1 85 LEU O 1 88 GLY H 1.500 . 2.300 2.510 2.465 2.600 0.300 13 0 "[ . 1 . 2]" 2
28 1 86 ARG O 1 89 VAL H 1.500 . 2.700 2.904 2.854 2.942 0.242 13 0 "[ . 1 . 2]" 2
29 1 87 LEU O 1 90 ALA H 1.500 . 2.700 2.792 2.715 2.865 0.165 9 0 "[ . 1 . 2]" 2
30 1 88 GLY O 1 91 GLU H 1.500 . 2.300 2.429 2.391 2.494 0.194 9 0 "[ . 1 . 2]" 2
31 1 89 VAL O 1 92 LEU H 1.500 . 2.700 2.818 2.724 2.901 0.201 9 0 "[ . 1 . 2]" 2
32 1 90 ALA O 1 93 ILE H 2.500 2.500 4.500 4.035 3.925 4.091 . 0 0 "[ . 1 . 2]" 2
33 1 91 GLU O 1 94 PHE H 2.500 2.500 3.300 3.359 3.323 3.395 0.095 19 0 "[ . 1 . 2]" 2
34 1 104 PHE O 1 107 ILE H 1.500 . 2.300 2.434 2.383 2.479 0.179 1 0 "[ . 1 . 2]" 2
35 1 105 ILE O 1 108 VAL H 1.500 . 2.300 2.475 2.430 2.538 0.238 11 0 "[ . 1 . 2]" 2
36 1 106 ASP O 1 109 ASP H 1.500 . 2.300 2.494 2.482 2.511 0.211 18 0 "[ . 1 . 2]" 2
37 1 107 ILE O 1 110 LEU H 1.500 . 2.300 2.464 2.433 2.603 0.303 11 0 "[ . 1 . 2]" 2
38 1 108 VAL O 1 111 VAL H 1.500 . 2.300 2.150 2.015 2.347 0.047 11 0 "[ . 1 . 2]" 2
39 1 109 ASP O 1 112 LYS H 1.500 . 2.300 2.407 2.387 2.469 0.169 11 0 "[ . 1 . 2]" 2
40 1 124 ASN O 1 127 LEU H 1.500 . 2.300 2.411 2.360 2.465 0.165 16 0 "[ . 1 . 2]" 2
41 1 127 LEU O 1 130 ILE H 1.500 . 2.300 2.244 2.013 2.347 0.047 20 0 "[ . 1 . 2]" 2
42 1 128 SER O 1 131 TYR H 1.500 . 2.300 2.366 2.301 2.425 0.125 3 0 "[ . 1 . 2]" 2
43 1 8 ARG O 1 11 ALA N 2.500 2.500 3.300 3.084 3.020 3.158 . 0 0 "[ . 1 . 2]" 2
44 1 9 ASP O 1 12 PHE N 2.500 2.500 3.300 3.291 3.246 3.319 0.019 17 0 "[ . 1 . 2]" 2
45 1 11 ALA O 1 14 VAL N 2.500 2.500 3.300 3.137 3.093 3.231 . 0 0 "[ . 1 . 2]" 2
46 1 12 PHE O 1 15 LEU N 2.500 2.500 3.300 2.922 2.883 2.968 . 0 0 "[ . 1 . 2]" 2
47 1 13 LEU O 1 16 TYR N 2.500 2.500 3.300 3.066 2.979 3.132 . 0 0 "[ . 1 . 2]" 2
48 1 14 VAL O 1 17 ARG N 2.500 2.500 3.300 3.001 2.902 3.066 . 0 0 "[ . 1 . 2]" 2
49 1 15 LEU O 1 18 TRP N 2.500 2.500 3.300 3.034 2.927 3.108 . 0 0 "[ . 1 . 2]" 2
50 1 16 TYR O 1 19 ASP N 2.500 2.500 3.300 3.073 3.000 3.116 . 0 0 "[ . 1 . 2]" 2
51 1 17 ARG O 1 20 LEU N 2.500 2.500 3.300 3.039 3.022 3.077 . 0 0 "[ . 1 . 2]" 2
52 1 45 GLU O 1 48 LYS N 2.500 2.500 3.300 2.966 2.921 3.027 . 0 0 "[ . 1 . 2]" 2
53 1 47 ALA O 1 50 LEU N 2.500 2.500 3.300 3.007 2.971 3.054 . 0 0 "[ . 1 . 2]" 2
54 1 48 LYS O 1 51 VAL N 2.500 2.500 3.300 3.030 2.940 3.120 . 0 0 "[ . 1 . 2]" 2
55 1 49 LYS O 1 52 ASP N 2.500 2.500 3.300 3.055 2.997 3.125 . 0 0 "[ . 1 . 2]" 2
56 1 50 LEU O 1 53 THR N 2.500 2.500 3.300 3.175 3.087 3.261 . 0 0 "[ . 1 . 2]" 2
57 1 51 VAL O 1 54 ALA N 2.500 2.500 3.300 2.755 2.547 2.872 . 0 0 "[ . 1 . 2]" 2
58 1 52 ASP O 1 55 VAL N 2.500 2.500 3.300 2.891 2.840 2.955 . 0 0 "[ . 1 . 2]" 2
59 1 58 ILE O 1 61 ILE N 2.500 2.500 3.300 3.066 2.951 3.166 . 0 0 "[ . 1 . 2]" 2
60 1 59 GLU O 1 62 ASP N 2.500 2.500 3.300 2.851 2.790 2.973 . 0 0 "[ . 1 . 2]" 2
61 1 61 ILE O 1 64 ILE N 2.500 2.500 3.300 2.837 2.797 2.869 . 0 0 "[ . 1 . 2]" 2
62 1 62 ASP O 1 65 ILE N 2.500 2.500 3.300 2.927 2.889 2.967 . 0 0 "[ . 1 . 2]" 2
63 1 63 SER O 1 66 GLU N 2.500 2.500 3.300 2.951 2.860 2.985 . 0 0 "[ . 1 . 2]" 2
64 1 79 TYR O 1 82 ARG N 2.500 2.500 3.300 2.992 2.945 3.031 . 0 0 "[ . 1 . 2]" 2
65 1 80 VAL O 1 83 ASN N 2.500 2.500 3.300 2.900 2.806 2.944 . 0 0 "[ . 1 . 2]" 2
66 1 81 GLU O 1 84 ALA N 2.500 2.500 3.300 3.109 3.038 3.181 . 0 0 "[ . 1 . 2]" 2
67 1 82 ARG O 1 85 LEU N 2.500 2.500 3.300 3.490 3.424 3.602 0.302 15 0 "[ . 1 . 2]" 2
68 1 83 ASN O 1 86 ARG N 2.500 2.500 3.300 3.029 2.970 3.113 . 0 0 "[ . 1 . 2]" 2
69 1 84 ALA O 1 87 LEU N 2.500 2.500 3.300 3.000 2.917 3.088 . 0 0 "[ . 1 . 2]" 2
70 1 85 LEU O 1 88 GLY N 2.500 2.500 3.300 3.101 2.973 3.195 . 0 0 "[ . 1 . 2]" 2
71 1 86 ARG O 1 89 VAL N 2.500 2.500 3.300 3.374 3.322 3.421 0.121 10 0 "[ . 1 . 2]" 2
72 1 87 LEU O 1 90 ALA N 2.500 2.500 3.300 3.355 3.279 3.412 0.112 13 0 "[ . 1 . 2]" 2
73 1 88 GLY O 1 91 GLU N 2.500 2.500 3.300 3.206 3.152 3.255 . 0 0 "[ . 1 . 2]" 2
74 1 89 VAL O 1 92 LEU N 2.500 2.500 3.300 2.971 2.881 3.043 . 0 0 "[ . 1 . 2]" 2
75 1 90 ALA O 1 93 ILE N 2.500 2.500 4.300 4.460 4.407 4.501 0.201 9 0 "[ . 1 . 2]" 2
76 1 91 GLU O 1 94 PHE N 2.500 2.500 3.300 3.475 3.429 3.506 0.206 8 0 "[ . 1 . 2]" 2
77 1 104 PHE O 1 107 ILE N 2.500 2.500 3.300 2.871 2.806 2.991 . 0 0 "[ . 1 . 2]" 2
78 1 105 ILE O 1 108 VAL N 2.500 2.500 3.300 2.905 2.812 2.974 . 0 0 "[ . 1 . 2]" 2
79 1 106 ASP O 1 109 ASP N 2.500 2.500 3.300 2.976 2.919 3.078 . 0 0 "[ . 1 . 2]" 2
80 1 107 ILE O 1 110 LEU N 2.500 2.500 3.300 3.074 2.994 3.269 . 0 0 "[ . 1 . 2]" 2
81 1 108 VAL O 1 111 VAL N 2.500 2.500 3.300 2.825 2.695 2.964 . 0 0 "[ . 1 . 2]" 2
82 1 109 ASP O 1 112 LYS N 2.500 2.500 3.300 3.031 2.986 3.191 . 0 0 "[ . 1 . 2]" 2
83 1 120 GLY O 1 123 VAL N 2.500 2.500 3.300 3.247 3.124 3.321 0.021 4 0 "[ . 1 . 2]" 2
84 1 124 ASN O 1 127 LEU N 2.500 2.500 3.300 3.017 2.966 3.061 . 0 0 "[ . 1 . 2]" 2
85 1 127 LEU O 1 130 ILE N 2.500 2.500 3.300 3.051 2.847 3.180 . 0 0 "[ . 1 . 2]" 2
86 1 128 SER O 1 131 TYR N 2.500 2.500 3.300 2.924 2.866 2.966 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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