NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484835 |
2js3   |
15352 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2js3
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 1830
_Distance_constraint_stats_list.Viol_count 1783
_Distance_constraint_stats_list.Viol_total 2770.498
_Distance_constraint_stats_list.Viol_max 0.694
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0777
_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 14 ARG 0.075 0.075 17 0 "[ . 1 . 2]"
1 15 GLU 0.207 0.082 20 0 "[ . 1 . 2]"
1 16 ASN 0.008 0.008 5 0 "[ . 1 . 2]"
1 17 LEU 1.434 0.148 3 0 "[ . 1 . 2]"
1 18 TYR 2.861 0.230 4 0 "[ . 1 . 2]"
1 19 PHE 1.128 0.230 4 0 "[ . 1 . 2]"
1 20 GLN 0.339 0.227 4 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 MET 1.637 0.431 6 0 "[ . 1 . 2]"
1 23 THR 1.171 0.431 6 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.495 0.075 10 0 "[ . 1 . 2]"
1 26 ALA 0.920 0.096 1 0 "[ . 1 . 2]"
1 27 ALA 0.421 0.069 8 0 "[ . 1 . 2]"
1 28 GLU 0.375 0.075 10 0 "[ . 1 . 2]"
1 29 ASP 1.550 0.140 9 0 "[ . 1 . 2]"
1 30 VAL 1.086 0.219 15 0 "[ . 1 . 2]"
1 31 ARG 0.636 0.136 1 0 "[ . 1 . 2]"
1 32 LYS 0.577 0.140 9 0 "[ . 1 . 2]"
1 33 ILE 0.836 0.129 4 0 "[ . 1 . 2]"
1 34 ALA 0.188 0.057 10 0 "[ . 1 . 2]"
1 35 THR 1.086 0.192 18 0 "[ . 1 . 2]"
1 36 ALA 0.742 0.108 14 0 "[ . 1 . 2]"
1 37 LEU 2.235 0.180 9 0 "[ . 1 . 2]"
1 38 LEU 0.265 0.071 4 0 "[ . 1 . 2]"
1 39 LYS 2.394 0.159 14 0 "[ . 1 . 2]"
1 40 THR 4.547 0.515 16 1 "[ . 1 .+ 2]"
1 41 ALA 0.895 0.155 7 0 "[ . 1 . 2]"
1 42 ILE 4.217 0.515 16 1 "[ . 1 .+ 2]"
1 43 GLU 0.869 0.146 7 0 "[ . 1 . 2]"
1 44 ILE 5.831 0.447 4 0 "[ . 1 . 2]"
1 45 VAL 1.855 0.330 8 0 "[ . 1 . 2]"
1 46 SER 2.805 0.330 8 0 "[ . 1 . 2]"
1 47 GLU 2.654 0.236 6 0 "[ . 1 . 2]"
1 48 GLU 1.322 0.094 5 0 "[ . 1 . 2]"
1 49 ASP 2.149 0.135 19 0 "[ . 1 . 2]"
1 50 GLY 0.776 0.135 19 0 "[ . 1 . 2]"
1 51 GLY 2.895 0.289 16 0 "[ . 1 . 2]"
1 52 ALA 3.599 0.289 16 0 "[ . 1 . 2]"
1 53 HIS 2.485 0.184 14 0 "[ . 1 . 2]"
1 54 ASN 0.857 0.153 12 0 "[ . 1 . 2]"
1 55 GLN 0.317 0.170 12 0 "[ . 1 . 2]"
1 56 CYS 0.142 0.066 6 0 "[ . 1 . 2]"
1 57 LYS 3.011 0.557 10 2 "[ .- + . 2]"
1 58 LEU 12.466 0.694 16 5 "[ *- * .+* 2]"
1 59 CYS 9.242 0.694 16 4 "[ -* 1 .+* 2]"
1 60 GLY 0.381 0.145 20 0 "[ . 1 . 2]"
1 61 ALA 0.544 0.137 20 0 "[ . 1 . 2]"
1 62 SER 0.338 0.087 10 0 "[ . 1 . 2]"
1 63 VAL 0.684 0.170 12 0 "[ . 1 . 2]"
1 64 PRO 0.054 0.039 12 0 "[ . 1 . 2]"
1 65 TRP 2.047 0.182 18 0 "[ . 1 . 2]"
1 66 LEU 0.827 0.107 6 0 "[ . 1 . 2]"
1 67 GLN 0.124 0.066 17 0 "[ . 1 . 2]"
1 68 THR 0.379 0.131 12 0 "[ . 1 . 2]"
1 69 GLY 0.384 0.131 12 0 "[ . 1 . 2]"
1 70 ASP 0.601 0.134 18 0 "[ . 1 . 2]"
1 71 GLU 1.750 0.286 10 0 "[ . 1 . 2]"
1 72 ILE 0.907 0.124 5 0 "[ . 1 . 2]"
1 73 LYS 0.236 0.074 9 0 "[ . 1 . 2]"
1 74 HIS 0.627 0.085 1 0 "[ . 1 . 2]"
1 75 ALA 1.462 0.165 20 0 "[ . 1 . 2]"
1 76 ASP 2.333 0.133 4 0 "[ . 1 . 2]"
1 77 ASP 1.237 0.165 20 0 "[ . 1 . 2]"
1 78 CYS 1.197 0.140 12 0 "[ . 1 . 2]"
1 79 PRO 0.095 0.035 6 0 "[ . 1 . 2]"
1 80 VAL 0.298 0.087 12 0 "[ . 1 . 2]"
1 81 VAL 0.916 0.120 4 0 "[ . 1 . 2]"
1 82 ILE 2.203 0.169 3 0 "[ . 1 . 2]"
1 83 ALA 0.850 0.169 3 0 "[ . 1 . 2]"
1 84 LYS 1.858 0.250 3 0 "[ . 1 . 2]"
1 85 GLN 4.039 0.250 3 0 "[ . 1 . 2]"
1 86 ILE 0.737 0.139 2 0 "[ . 1 . 2]"
1 87 LEU 0.706 0.136 1 0 "[ . 1 . 2]"
1 88 SER 2.180 0.174 2 0 "[ . 1 . 2]"
1 89 SER 0.001 0.001 8 0 "[ . 1 . 2]"
1 90 ARG 0.057 0.035 19 0 "[ . 1 . 2]"
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 0.143 0.143 10 0 "[ . 1 . 2]"
1 93 LEU 0.472 0.143 10 0 "[ . 1 . 2]"
1 94 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 0.009 0.009 4 0 "[ . 1 . 2]"
1 96 VAL 0.009 0.009 4 0 "[ . 1 . 2]"
2 14 ARG 0.368 0.113 5 0 "[ . 1 . 2]"
2 15 GLU 0.597 0.113 5 0 "[ . 1 . 2]"
2 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 LEU 1.247 0.250 7 0 "[ . 1 . 2]"
2 18 TYR 3.430 0.231 11 0 "[ . 1 . 2]"
2 19 PHE 1.213 0.215 12 0 "[ . 1 . 2]"
2 20 GLN 0.703 0.243 17 0 "[ . 1 . 2]"
2 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 MET 3.048 0.418 2 0 "[ . 1 . 2]"
2 23 THR 2.674 0.418 2 0 "[ . 1 . 2]"
2 24 ASP 0.751 0.350 11 0 "[ . 1 . 2]"
2 25 THR 0.882 0.186 4 0 "[ . 1 . 2]"
2 26 ALA 0.877 0.139 12 0 "[ . 1 . 2]"
2 27 ALA 0.563 0.113 2 0 "[ . 1 . 2]"
2 28 GLU 0.665 0.186 4 0 "[ . 1 . 2]"
2 29 ASP 0.863 0.113 2 0 "[ . 1 . 2]"
2 30 VAL 0.830 0.139 12 0 "[ . 1 . 2]"
2 31 ARG 0.386 0.126 8 0 "[ . 1 . 2]"
2 32 LYS 0.426 0.061 20 0 "[ . 1 . 2]"
2 33 ILE 0.967 0.124 7 0 "[ . 1 . 2]"
2 34 ALA 0.459 0.064 19 0 "[ . 1 . 2]"
2 35 THR 0.951 0.134 9 0 "[ . 1 . 2]"
2 36 ALA 0.532 0.102 20 0 "[ . 1 . 2]"
2 37 LEU 2.166 0.134 9 0 "[ . 1 . 2]"
2 38 LEU 0.191 0.065 8 0 "[ . 1 . 2]"
2 39 LYS 3.171 0.255 2 0 "[ . 1 . 2]"
2 40 THR 9.442 0.590 20 9 "[ * ** *1 -**. *+]"
2 41 ALA 2.388 0.252 3 0 "[ . 1 . 2]"
2 42 ILE 7.674 0.590 20 9 "[ * ** *1 -**. *+]"
2 43 GLU 1.504 0.157 16 0 "[ . 1 . 2]"
2 44 ILE 5.262 0.489 5 0 "[ . 1 . 2]"
2 45 VAL 1.244 0.099 6 0 "[ . 1 . 2]"
2 46 SER 1.592 0.144 12 0 "[ . 1 . 2]"
2 47 GLU 3.122 0.203 19 0 "[ . 1 . 2]"
2 48 GLU 1.321 0.091 3 0 "[ . 1 . 2]"
2 49 ASP 2.702 0.156 4 0 "[ . 1 . 2]"
2 50 GLY 1.111 0.146 2 0 "[ . 1 . 2]"
2 51 GLY 3.302 0.326 7 0 "[ . 1 . 2]"
2 52 ALA 4.275 0.326 7 0 "[ . 1 . 2]"
2 53 HIS 2.656 0.159 4 0 "[ . 1 . 2]"
2 54 ASN 0.862 0.110 19 0 "[ . 1 . 2]"
2 55 GLN 1.054 0.212 19 0 "[ . 1 . 2]"
2 56 CYS 0.346 0.114 19 0 "[ . 1 . 2]"
2 57 LYS 2.301 0.401 10 0 "[ . 1 . 2]"
2 58 LEU 5.098 0.549 12 1 "[ . 1 + . 2]"
2 59 CYS 3.470 0.549 12 1 "[ . 1 + . 2]"
2 60 GLY 0.132 0.053 17 0 "[ . 1 . 2]"
2 61 ALA 0.716 0.086 9 0 "[ . 1 . 2]"
2 62 SER 0.552 0.114 19 0 "[ . 1 . 2]"
2 63 VAL 1.086 0.212 19 0 "[ . 1 . 2]"
2 64 PRO 0.094 0.037 3 0 "[ . 1 . 2]"
2 65 TRP 1.943 0.163 18 0 "[ . 1 . 2]"
2 66 LEU 0.668 0.097 8 0 "[ . 1 . 2]"
2 67 GLN 0.374 0.097 8 0 "[ . 1 . 2]"
2 68 THR 0.664 0.198 7 0 "[ . 1 . 2]"
2 69 GLY 0.672 0.111 19 0 "[ . 1 . 2]"
2 70 ASP 0.275 0.093 3 0 "[ . 1 . 2]"
2 71 GLU 2.537 0.313 18 0 "[ . 1 . 2]"
2 72 ILE 0.655 0.099 18 0 "[ . 1 . 2]"
2 73 LYS 0.387 0.154 15 0 "[ . 1 . 2]"
2 74 HIS 1.166 0.154 15 0 "[ . 1 . 2]"
2 75 ALA 1.419 0.131 7 0 "[ . 1 . 2]"
2 76 ASP 2.089 0.141 1 0 "[ . 1 . 2]"
2 77 ASP 0.935 0.141 1 0 "[ . 1 . 2]"
2 78 CYS 0.692 0.076 1 0 "[ . 1 . 2]"
2 79 PRO 0.013 0.008 5 0 "[ . 1 . 2]"
2 80 VAL 0.291 0.077 8 0 "[ . 1 . 2]"
2 81 VAL 0.664 0.216 18 0 "[ . 1 . 2]"
2 82 ILE 3.658 0.216 18 0 "[ . 1 . 2]"
2 83 ALA 1.443 0.175 10 0 "[ . 1 . 2]"
2 84 LYS 1.832 0.141 5 0 "[ . 1 . 2]"
2 85 GLN 3.154 0.176 4 0 "[ . 1 . 2]"
2 86 ILE 0.423 0.083 4 0 "[ . 1 . 2]"
2 87 LEU 0.728 0.132 10 0 "[ . 1 . 2]"
2 88 SER 1.593 0.132 10 0 "[ . 1 . 2]"
2 89 SER 0.030 0.030 8 0 "[ . 1 . 2]"
2 90 ARG 0.043 0.023 8 0 "[ . 1 . 2]"
2 91 PRO 0.071 0.063 14 0 "[ . 1 . 2]"
2 92 LYS 0.266 0.077 12 0 "[ . 1 . 2]"
2 93 LEU 0.272 0.077 20 0 "[ . 1 . 2]"
2 94 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 95 ALA 0.041 0.041 7 0 "[ . 1 . 2]"
2 96 VAL 0.196 0.155 7 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 14 ARG HA 1 15 GLU H . . 3.420 2.589 2.129 3.495 0.075 17 0 "[ . 1 . 2]" 1
2 1 15 GLU H 1 15 GLU HB2 . . 4.010 3.084 2.216 4.061 0.051 17 0 "[ . 1 . 2]" 1
3 1 15 GLU H 1 15 GLU HB3 . . 4.010 3.238 2.487 4.092 0.082 20 0 "[ . 1 . 2]" 1
4 1 15 GLU H 1 15 GLU HG2 . . 5.500 3.387 1.855 5.193 . 0 0 "[ . 1 . 2]" 1
5 1 15 GLU H 1 15 GLU HG3 . . 5.500 3.945 2.975 4.808 . 0 0 "[ . 1 . 2]" 1
6 1 16 ASN HA 1 17 LEU H . . 3.550 2.381 2.128 3.558 0.008 5 0 "[ . 1 . 2]" 1
7 1 16 ASN HB2 1 17 LEU H . . 5.500 3.852 2.146 4.506 . 0 0 "[ . 1 . 2]" 1
8 1 16 ASN HB3 1 17 LEU H . . 5.500 4.118 2.962 4.637 . 0 0 "[ . 1 . 2]" 1
9 1 17 LEU H 1 17 LEU HB2 . . 3.830 2.674 2.366 3.279 . 0 0 "[ . 1 . 2]" 1
10 1 17 LEU H 1 17 LEU QB . . 3.650 2.549 2.327 2.885 . 0 0 "[ . 1 . 2]" 1
11 1 17 LEU H 1 17 LEU HB3 . . 3.830 3.537 2.627 3.860 0.030 12 0 "[ . 1 . 2]" 1
12 1 17 LEU H 1 17 LEU HG . . 5.500 3.639 2.066 4.819 . 0 0 "[ . 1 . 2]" 1
13 1 17 LEU H 1 18 TYR H . . 4.230 3.853 2.094 4.374 0.144 14 0 "[ . 1 . 2]" 1
14 1 17 LEU HA 1 17 LEU MD1 . . 4.700 3.341 1.867 3.888 . 0 0 "[ . 1 . 2]" 1
15 1 17 LEU HA 1 17 LEU QD . . 3.980 2.208 1.845 3.008 . 0 0 "[ . 1 . 2]" 1
16 1 17 LEU HA 1 17 LEU MD2 . . 4.700 2.604 1.867 3.893 . 0 0 "[ . 1 . 2]" 1
17 1 17 LEU HA 1 18 TYR H . . 3.360 2.630 2.116 3.508 0.148 3 0 "[ . 1 . 2]" 1
18 1 17 LEU QB 1 18 TYR H . . 4.300 2.700 1.761 3.859 . 0 0 "[ . 1 . 2]" 1
19 1 17 LEU HB2 1 18 TYR H . . 4.630 3.557 1.872 4.538 . 0 0 "[ . 1 . 2]" 1
20 1 17 LEU HB3 1 18 TYR H . . 4.630 2.969 1.767 4.386 . 0 0 "[ . 1 . 2]" 1
21 1 17 LEU MD1 1 18 TYR H . . 6.530 4.146 2.351 5.485 . 0 0 "[ . 1 . 2]" 1
22 1 17 LEU MD2 1 18 TYR H . . 6.530 3.874 2.628 5.555 . 0 0 "[ . 1 . 2]" 1
23 1 17 LEU HG 1 18 TYR H . . 5.500 4.426 3.027 5.180 . 0 0 "[ . 1 . 2]" 1
24 1 18 TYR H 1 18 TYR HB2 . . 3.450 2.789 2.253 3.597 0.147 11 0 "[ . 1 . 2]" 1
25 1 18 TYR H 1 18 TYR HB3 . . 3.450 2.915 2.533 3.643 0.193 17 0 "[ . 1 . 2]" 1
26 1 18 TYR H 1 19 PHE H . . 5.130 4.109 2.036 4.627 . 0 0 "[ . 1 . 2]" 1
27 1 18 TYR H 1 19 PHE QD . . 7.620 5.864 2.829 6.659 . 0 0 "[ . 1 . 2]" 1
28 1 18 TYR H 1 22 MET ME . . 6.060 4.456 2.255 6.091 0.031 20 0 "[ . 1 . 2]" 1
29 1 18 TYR QB 1 19 PHE QD . . 8.500 4.385 3.006 4.959 . 0 0 "[ . 1 . 2]" 1
30 1 18 TYR HB2 1 19 PHE H . . 4.260 3.866 3.566 4.490 0.230 4 0 "[ . 1 . 2]" 1
31 1 18 TYR HB3 1 19 PHE H . . 4.260 3.137 2.133 4.462 0.202 11 0 "[ . 1 . 2]" 1
32 1 18 TYR QD 1 19 PHE H . . 7.640 2.980 2.111 4.364 . 0 0 "[ . 1 . 2]" 1
33 1 18 TYR QD 1 19 PHE QD . . 9.760 3.323 1.781 4.527 . 0 0 "[ . 1 . 2]" 1
34 1 18 TYR QD 1 22 MET ME . . 7.580 4.629 2.742 5.920 . 0 0 "[ . 1 . 2]" 1
35 1 18 TYR QD 2 26 ALA MB . . 8.670 6.718 4.535 7.685 . 0 0 "[ . 1 . 2]" 1
36 1 18 TYR QD 2 27 ALA MB . . 8.670 5.053 3.396 6.622 . 0 0 "[ . 1 . 2]" 1
37 1 18 TYR QD 2 30 VAL QG . . 10.230 6.191 5.190 7.590 . 0 0 "[ . 1 . 2]" 1
38 1 18 TYR QD 2 86 ILE HA . . 7.640 4.946 3.541 6.652 . 0 0 "[ . 1 . 2]" 1
39 1 18 TYR QD 2 86 ILE MD . . 8.670 5.607 4.056 7.065 . 0 0 "[ . 1 . 2]" 1
40 1 18 TYR QD 2 89 SER HB2 . . 7.640 5.765 3.493 7.398 . 0 0 "[ . 1 . 2]" 1
41 1 18 TYR QD 2 89 SER HB3 . . 7.640 5.987 2.806 7.670 0.030 8 0 "[ . 1 . 2]" 1
42 1 18 TYR QE 1 19 PHE H . . 7.630 4.237 3.551 5.704 . 0 0 "[ . 1 . 2]" 1
43 1 18 TYR QE 1 19 PHE QD . . 9.750 3.337 2.808 4.941 . 0 0 "[ . 1 . 2]" 1
44 1 18 TYR QE 1 22 MET ME . . 8.660 5.653 2.392 6.669 . 0 0 "[ . 1 . 2]" 1
45 1 18 TYR QE 2 26 ALA MB . . 8.190 6.721 4.866 7.817 . 0 0 "[ . 1 . 2]" 1
46 1 18 TYR QE 2 27 ALA HA . . 7.630 5.783 3.410 7.487 . 0 0 "[ . 1 . 2]" 1
47 1 18 TYR QE 2 30 VAL QG . . 10.100 5.698 4.503 7.646 . 0 0 "[ . 1 . 2]" 1
48 1 18 TYR QE 2 86 ILE HA . . 7.630 3.826 1.943 5.825 . 0 0 "[ . 1 . 2]" 1
49 1 18 TYR QE 2 86 ILE MD . . 8.660 5.414 3.766 7.192 . 0 0 "[ . 1 . 2]" 1
50 1 19 PHE H 1 22 MET ME . . 4.790 3.521 2.074 4.800 0.010 20 0 "[ . 1 . 2]" 1
51 1 19 PHE H 2 26 ALA MB . . 6.530 5.850 4.921 6.593 0.063 5 0 "[ . 1 . 2]" 1
52 1 19 PHE HB2 1 20 GLN H . . 4.880 3.673 1.798 4.475 . 0 0 "[ . 1 . 2]" 1
53 1 19 PHE HB3 1 20 GLN H . . 4.880 3.341 1.864 4.403 . 0 0 "[ . 1 . 2]" 1
54 1 19 PHE QD 1 30 VAL QG . . 10.210 4.905 2.845 6.359 . 0 0 "[ . 1 . 2]" 1
55 1 19 PHE QD 2 22 MET ME . . 6.510 4.421 2.733 5.807 . 0 0 "[ . 1 . 2]" 1
56 1 19 PHE QD 2 22 MET QG . . 8.500 3.938 1.860 7.646 . 0 0 "[ . 1 . 2]" 1
57 1 19 PHE QD 2 26 ALA HA . . 7.620 5.335 4.175 7.125 . 0 0 "[ . 1 . 2]" 1
58 1 19 PHE QD 2 26 ALA MB . . 7.840 2.771 2.075 4.758 . 0 0 "[ . 1 . 2]" 1
59 1 19 PHE QD 2 86 ILE MG . . 8.560 4.013 2.757 4.852 . 0 0 "[ . 1 . 2]" 1
60 1 19 PHE QD 2 89 SER QB . . 8.500 5.647 4.380 7.290 . 0 0 "[ . 1 . 2]" 1
61 1 19 PHE QE 1 30 VAL HB . . 7.620 6.409 4.568 7.675 0.055 2 0 "[ . 1 . 2]" 1
62 1 19 PHE QE 1 30 VAL QG . . 9.310 3.713 2.255 5.289 . 0 0 "[ . 1 . 2]" 1
63 1 19 PHE QE 2 22 MET ME . . 8.650 4.410 2.346 5.969 . 0 0 "[ . 1 . 2]" 1
64 1 19 PHE QE 2 26 ALA MB . . 8.650 3.135 1.921 5.281 . 0 0 "[ . 1 . 2]" 1
65 1 19 PHE QE 2 30 VAL QG . . 10.210 2.456 1.837 3.478 . 0 0 "[ . 1 . 2]" 1
66 1 19 PHE QE 2 86 ILE MG . . 8.560 2.483 1.952 3.183 . 0 0 "[ . 1 . 2]" 1
67 1 19 PHE QE 2 89 SER QB . . 8.500 5.578 3.038 7.748 . 0 0 "[ . 1 . 2]" 1
68 1 19 PHE HZ 2 30 VAL QG . . 8.090 2.465 1.741 3.882 . 0 0 "[ . 1 . 2]" 1
69 1 19 PHE HZ 2 86 ILE MG . . 5.350 2.882 1.995 4.147 . 0 0 "[ . 1 . 2]" 1
70 1 20 GLN H 1 20 GLN HB2 . . 3.800 2.963 2.437 3.535 . 0 0 "[ . 1 . 2]" 1
71 1 20 GLN H 1 20 GLN HB3 . . 3.800 3.366 2.507 4.027 0.227 4 0 "[ . 1 . 2]" 1
72 1 20 GLN H 1 20 GLN HG2 . . 5.500 4.425 3.114 4.968 . 0 0 "[ . 1 . 2]" 1
73 1 20 GLN H 1 20 GLN HG3 . . 5.500 4.245 2.343 5.231 . 0 0 "[ . 1 . 2]" 1
74 1 21 GLY H 1 22 MET H . . 5.220 3.465 2.541 4.339 . 0 0 "[ . 1 . 2]" 1
75 1 22 MET H 1 22 MET HB2 . . 4.040 2.797 2.218 3.979 . 0 0 "[ . 1 . 2]" 1
76 1 22 MET H 1 22 MET HB3 . . 4.040 3.489 2.653 4.112 0.072 6 0 "[ . 1 . 2]" 1
77 1 22 MET H 1 22 MET HG2 . . 5.500 3.289 2.134 4.532 . 0 0 "[ . 1 . 2]" 1
78 1 22 MET H 1 22 MET HG3 . . 5.500 3.764 2.387 4.589 . 0 0 "[ . 1 . 2]" 1
79 1 22 MET H 1 23 THR H . . 4.600 4.251 2.299 4.607 0.007 19 0 "[ . 1 . 2]" 1
80 1 22 MET H 1 26 ALA MB . . 6.530 5.183 3.999 6.170 . 0 0 "[ . 1 . 2]" 1
81 1 22 MET HA 1 22 MET ME . . 4.920 3.856 1.820 4.431 . 0 0 "[ . 1 . 2]" 1
82 1 22 MET HA 1 23 THR H . . 3.640 2.444 2.091 3.512 . 0 0 "[ . 1 . 2]" 1
83 1 22 MET HA 1 23 THR MG . . 4.980 4.123 3.430 5.411 0.431 6 0 "[ . 1 . 2]" 1
84 1 22 MET QB 1 26 ALA MB . . 5.450 2.511 1.742 4.034 . 0 0 "[ . 1 . 2]" 1
85 1 22 MET HB2 1 23 THR H . . 4.410 3.644 1.781 4.485 0.075 1 0 "[ . 1 . 2]" 1
86 1 22 MET HB2 1 26 ALA MB . . 5.750 3.436 1.754 5.389 . 0 0 "[ . 1 . 2]" 1
87 1 22 MET HB3 1 23 THR H . . 4.410 3.122 1.835 4.341 . 0 0 "[ . 1 . 2]" 1
88 1 22 MET HB3 1 26 ALA MB . . 5.750 2.819 1.776 4.166 . 0 0 "[ . 1 . 2]" 1
89 1 22 MET ME 1 23 THR H . . 6.530 4.778 2.891 6.293 . 0 0 "[ . 1 . 2]" 1
90 1 22 MET ME 1 26 ALA HA . . 5.040 4.324 1.787 5.136 0.096 1 0 "[ . 1 . 2]" 1
91 1 22 MET ME 1 26 ALA MB . . 7.180 2.750 1.901 3.827 . 0 0 "[ . 1 . 2]" 1
92 1 22 MET ME 2 19 PHE QD . . 6.510 4.423 2.248 6.381 . 0 0 "[ . 1 . 2]" 1
93 1 22 MET ME 2 19 PHE QE . . 8.650 4.621 2.846 6.983 . 0 0 "[ . 1 . 2]" 1
94 1 22 MET ME 2 26 ALA MB . . 7.460 4.331 2.467 6.611 . 0 0 "[ . 1 . 2]" 1
95 1 22 MET ME 2 27 ALA MB . . 7.560 5.622 4.681 6.772 . 0 0 "[ . 1 . 2]" 1
96 1 22 MET ME 2 30 VAL QG . . 8.930 4.378 3.309 6.020 . 0 0 "[ . 1 . 2]" 1
97 1 22 MET ME 2 86 ILE MD . . 7.560 4.960 2.488 6.842 . 0 0 "[ . 1 . 2]" 1
98 1 22 MET QG 1 26 ALA MB . . 6.660 3.006 1.979 4.180 . 0 0 "[ . 1 . 2]" 1
99 1 22 MET QG 2 19 PHE QD . . 8.500 4.326 1.780 6.518 . 0 0 "[ . 1 . 2]" 1
100 1 22 MET QG 2 26 ALA MB . . 6.200 4.827 3.388 6.285 0.085 10 0 "[ . 1 . 2]" 1
101 1 22 MET HG2 1 23 THR H . . 5.500 4.478 3.166 5.161 . 0 0 "[ . 1 . 2]" 1
102 1 22 MET HG3 1 23 THR H . . 5.500 4.347 2.531 5.519 0.019 16 0 "[ . 1 . 2]" 1
103 1 23 THR H 1 23 THR HB . . 4.170 3.404 2.690 4.052 . 0 0 "[ . 1 . 2]" 1
104 1 23 THR H 1 23 THR MG . . 4.760 2.838 1.895 4.055 . 0 0 "[ . 1 . 2]" 1
105 1 23 THR HB 1 24 ASP H . . 4.140 2.987 1.683 4.097 . 0 0 "[ . 1 . 2]" 1
106 1 23 THR MG 1 24 ASP H . . 5.910 3.219 1.951 4.323 . 0 0 "[ . 1 . 2]" 1
107 1 24 ASP HA 1 26 ALA MB . . 5.350 4.543 3.886 5.050 . 0 0 "[ . 1 . 2]" 1
108 1 24 ASP HA 1 27 ALA MB . . 5.190 4.021 2.890 4.958 . 0 0 "[ . 1 . 2]" 1
109 1 24 ASP HB2 1 25 THR H . . 5.130 3.556 2.142 4.202 . 0 0 "[ . 1 . 2]" 1
110 1 24 ASP HB3 1 25 THR H . . 5.130 2.860 1.901 3.920 . 0 0 "[ . 1 . 2]" 1
111 1 25 THR H 1 25 THR HB . . 4.110 2.844 2.589 3.573 . 0 0 "[ . 1 . 2]" 1
112 1 25 THR HA 1 27 ALA H . . 4.410 3.839 3.046 4.428 0.018 2 0 "[ . 1 . 2]" 1
113 1 25 THR HA 1 28 GLU HB2 . . 4.200 3.400 2.378 4.221 0.021 3 0 "[ . 1 . 2]" 1
114 1 25 THR HA 1 28 GLU QB . . 3.760 3.056 2.356 3.779 0.019 3 0 "[ . 1 . 2]" 1
115 1 25 THR HA 1 28 GLU HB3 . . 4.200 3.761 2.930 4.275 0.075 10 0 "[ . 1 . 2]" 1
116 1 25 THR HA 1 28 GLU QG . . 5.790 4.479 1.816 5.564 . 0 0 "[ . 1 . 2]" 1
117 1 25 THR HB 1 26 ALA H . . 5.130 3.234 2.571 4.263 . 0 0 "[ . 1 . 2]" 1
118 1 25 THR HB 1 27 ALA H . . 5.310 5.141 4.883 5.379 0.069 8 0 "[ . 1 . 2]" 1
119 1 25 THR HB 1 28 GLU QB . . 6.380 4.624 2.898 5.553 . 0 0 "[ . 1 . 2]" 1
120 1 25 THR MG 1 26 ALA H . . 5.750 4.034 3.571 4.368 . 0 0 "[ . 1 . 2]" 1
121 1 25 THR MG 1 27 ALA H . . 6.090 4.917 4.271 5.260 . 0 0 "[ . 1 . 2]" 1
122 1 26 ALA H 1 28 GLU H . . 4.380 4.142 3.798 4.362 . 0 0 "[ . 1 . 2]" 1
123 1 26 ALA HA 1 27 ALA H . . 3.610 3.486 3.353 3.532 . 0 0 "[ . 1 . 2]" 1
124 1 26 ALA HA 1 28 GLU H . . 4.350 4.034 3.638 4.371 0.021 18 0 "[ . 1 . 2]" 1
125 1 26 ALA HA 1 30 VAL H . . 4.450 4.279 3.740 4.507 0.057 16 0 "[ . 1 . 2]" 1
126 1 26 ALA HA 1 30 VAL QG . . 6.850 3.864 3.246 4.583 . 0 0 "[ . 1 . 2]" 1
127 1 26 ALA HA 2 19 PHE QD . . 7.620 5.880 4.680 7.245 . 0 0 "[ . 1 . 2]" 1
128 1 26 ALA MB 1 29 ASP H . . 6.060 4.721 4.389 5.102 . 0 0 "[ . 1 . 2]" 1
129 1 26 ALA MB 1 29 ASP QB . . 7.000 4.363 3.606 5.472 . 0 0 "[ . 1 . 2]" 1
130 1 26 ALA MB 1 30 VAL QG . . 8.620 3.399 2.760 3.912 . 0 0 "[ . 1 . 2]" 1
131 1 26 ALA MB 2 18 TYR QD . . 8.670 6.669 4.262 8.067 . 0 0 "[ . 1 . 2]" 1
132 1 26 ALA MB 2 18 TYR QE . . 8.190 6.755 4.807 8.246 0.056 20 0 "[ . 1 . 2]" 1
133 1 26 ALA MB 2 19 PHE H . . 6.530 6.117 5.104 6.588 0.058 14 0 "[ . 1 . 2]" 1
134 1 26 ALA MB 2 19 PHE QD . . 7.840 3.500 1.973 5.001 . 0 0 "[ . 1 . 2]" 1
135 1 26 ALA MB 2 19 PHE QE . . 8.650 3.895 2.408 6.201 . 0 0 "[ . 1 . 2]" 1
136 1 26 ALA MB 2 22 MET ME . . 7.460 4.687 1.978 7.496 0.036 7 0 "[ . 1 . 2]" 1
137 1 26 ALA MB 2 22 MET QG . . 6.200 5.220 3.855 6.246 0.046 15 0 "[ . 1 . 2]" 1
138 1 27 ALA H 1 28 GLU H . . 4.600 2.539 2.378 2.703 . 0 0 "[ . 1 . 2]" 1
139 1 27 ALA HA 1 28 GLU H . . 3.580 3.476 3.439 3.525 . 0 0 "[ . 1 . 2]" 1
140 1 27 ALA HA 1 29 ASP H . . 4.690 4.562 4.155 4.756 0.066 6 0 "[ . 1 . 2]" 1
141 1 27 ALA HA 2 18 TYR QE . . 7.630 5.862 3.967 7.650 0.020 4 0 "[ . 1 . 2]" 1
142 1 27 ALA MB 1 28 GLU H . . 4.390 2.773 2.590 2.916 . 0 0 "[ . 1 . 2]" 1
143 1 27 ALA MB 2 18 TYR QD . . 8.670 4.820 2.356 7.089 . 0 0 "[ . 1 . 2]" 1
144 1 27 ALA MB 2 22 MET ME . . 7.560 5.489 3.293 7.241 . 0 0 "[ . 1 . 2]" 1
145 1 28 GLU H 1 29 ASP H . . 4.170 2.584 2.294 2.813 . 0 0 "[ . 1 . 2]" 1
146 1 28 GLU HA 1 31 ARG H . . 4.260 3.678 3.038 4.324 0.064 17 0 "[ . 1 . 2]" 1
147 1 28 GLU HA 1 31 ARG QB . . 4.890 3.002 1.905 4.663 . 0 0 "[ . 1 . 2]" 1
148 1 28 GLU HB2 1 29 ASP H . . 4.850 3.590 2.351 4.002 . 0 0 "[ . 1 . 2]" 1
149 1 28 GLU HB3 1 29 ASP H . . 4.850 2.710 2.316 3.580 . 0 0 "[ . 1 . 2]" 1
150 1 28 GLU HG2 1 29 ASP H . . 5.500 4.543 3.829 5.090 . 0 0 "[ . 1 . 2]" 1
151 1 28 GLU HG3 1 29 ASP H . . 5.500 4.466 3.502 4.980 . 0 0 "[ . 1 . 2]" 1
152 1 29 ASP HA 1 32 LYS H . . 4.010 3.406 3.110 3.762 . 0 0 "[ . 1 . 2]" 1
153 1 29 ASP HA 1 32 LYS HB2 . . 4.450 2.866 2.256 3.198 . 0 0 "[ . 1 . 2]" 1
154 1 29 ASP HA 1 32 LYS QB . . 4.170 2.654 1.773 3.131 . 0 0 "[ . 1 . 2]" 1
155 1 29 ASP HA 1 32 LYS HB3 . . 4.450 3.488 1.854 4.590 0.140 9 0 "[ . 1 . 2]" 1
156 1 29 ASP HA 1 32 LYS QE . . 6.290 3.406 1.740 6.254 . 0 0 "[ . 1 . 2]" 1
157 1 29 ASP HA 2 82 ILE MD . . 5.970 5.916 5.054 6.102 0.132 14 0 "[ . 1 . 2]" 1
158 1 30 VAL H 1 30 VAL HB . . 3.390 2.659 2.477 3.609 0.219 15 0 "[ . 1 . 2]" 1
159 1 30 VAL H 1 31 ARG H . . 3.490 2.621 2.465 2.794 . 0 0 "[ . 1 . 2]" 1
160 1 30 VAL HA 1 33 ILE H . . 3.760 3.437 3.126 3.785 0.025 19 0 "[ . 1 . 2]" 1
161 1 30 VAL HA 1 33 ILE MD . . 5.350 2.509 2.006 3.172 . 0 0 "[ . 1 . 2]" 1
162 1 30 VAL HA 1 33 ILE QG . . 6.380 2.639 1.993 3.666 . 0 0 "[ . 1 . 2]" 1
163 1 30 VAL HA 1 33 ILE MG . . 5.600 4.094 3.304 5.081 . 0 0 "[ . 1 . 2]" 1
164 1 30 VAL HB 1 31 ARG H . . 3.800 2.896 2.490 3.918 0.118 5 0 "[ . 1 . 2]" 1
165 1 30 VAL HB 2 86 ILE MD . . 6.530 5.788 4.121 6.581 0.051 9 0 "[ . 1 . 2]" 1
166 1 30 VAL QG 1 31 ARG H . . 5.460 3.106 2.145 3.359 . 0 0 "[ . 1 . 2]" 1
167 1 30 VAL QG 1 32 LYS H . . 7.560 4.456 4.018 4.721 . 0 0 "[ . 1 . 2]" 1
168 1 30 VAL QG 1 34 ALA H . . 7.280 4.040 3.463 4.950 . 0 0 "[ . 1 . 2]" 1
169 1 30 VAL QG 1 34 ALA MB . . 8.000 3.416 2.687 4.523 . 0 0 "[ . 1 . 2]" 1
170 1 30 VAL QG 2 18 TYR QD . . 10.230 5.944 3.742 6.987 . 0 0 "[ . 1 . 2]" 1
171 1 30 VAL QG 2 18 TYR QE . . 10.100 5.728 2.030 7.787 . 0 0 "[ . 1 . 2]" 1
172 1 30 VAL QG 2 19 PHE QE . . 10.210 2.363 1.792 2.898 . 0 0 "[ . 1 . 2]" 1
173 1 30 VAL QG 2 19 PHE HZ . . 8.090 2.505 1.726 3.873 . 0 0 "[ . 1 . 2]" 1
174 1 30 VAL QG 2 22 MET ME . . 8.930 4.279 1.957 5.668 . 0 0 "[ . 1 . 2]" 1
175 1 30 VAL QG 2 86 ILE MD . . 6.320 3.297 2.557 3.954 . 0 0 "[ . 1 . 2]" 1
176 1 30 VAL QG 2 86 ILE MG . . 6.740 4.090 3.060 4.796 . 0 0 "[ . 1 . 2]" 1
177 1 30 VAL MG1 1 31 ARG H . . 5.880 3.521 2.287 3.975 . 0 0 "[ . 1 . 2]" 1
178 1 30 VAL MG1 2 86 ILE MD . . 6.630 4.295 2.567 5.528 . 0 0 "[ . 1 . 2]" 1
179 1 30 VAL MG1 2 86 ILE MG . . 7.000 5.051 3.078 6.391 . 0 0 "[ . 1 . 2]" 1
180 1 30 VAL MG2 1 31 ARG H . . 5.880 3.687 2.154 3.971 . 0 0 "[ . 1 . 2]" 1
181 1 30 VAL MG2 2 86 ILE MD . . 6.630 3.617 2.667 5.982 . 0 0 "[ . 1 . 2]" 1
182 1 30 VAL MG2 2 86 ILE MG . . 7.000 4.538 3.865 5.495 . 0 0 "[ . 1 . 2]" 1
183 1 31 ARG H 1 31 ARG QB . . 3.790 2.327 2.184 2.665 . 0 0 "[ . 1 . 2]" 1
184 1 31 ARG H 1 32 LYS H . . 3.550 2.584 2.426 2.728 . 0 0 "[ . 1 . 2]" 1
185 1 31 ARG HA 1 33 ILE MD . . 6.530 5.828 5.210 6.540 0.010 9 0 "[ . 1 . 2]" 1
186 1 31 ARG HA 1 34 ALA MB . . 4.300 2.523 1.939 3.061 . 0 0 "[ . 1 . 2]" 1
187 1 31 ARG HA 1 87 LEU MD1 . . 5.690 5.481 4.388 5.826 0.136 1 0 "[ . 1 . 2]" 1
188 1 31 ARG HA 1 87 LEU MD2 . . 6.530 4.430 3.119 6.067 . 0 0 "[ . 1 . 2]" 1
189 1 31 ARG QB 1 32 LYS H . . 4.030 2.826 2.481 3.622 . 0 0 "[ . 1 . 2]" 1
190 1 31 ARG HB2 1 32 LYS H . . 4.200 3.735 2.515 4.154 . 0 0 "[ . 1 . 2]" 1
191 1 31 ARG HB3 1 32 LYS H . . 4.200 3.105 2.521 4.068 . 0 0 "[ . 1 . 2]" 1
192 1 32 LYS H 1 32 LYS HB2 . . 3.670 2.381 2.071 2.667 . 0 0 "[ . 1 . 2]" 1
193 1 32 LYS H 1 32 LYS HB3 . . 3.670 2.994 2.415 3.615 . 0 0 "[ . 1 . 2]" 1
194 1 32 LYS H 1 32 LYS HG2 . . 5.500 4.089 3.213 4.572 . 0 0 "[ . 1 . 2]" 1
195 1 32 LYS H 1 32 LYS HG3 . . 5.500 3.680 1.964 4.488 . 0 0 "[ . 1 . 2]" 1
196 1 32 LYS H 1 33 ILE H . . 3.390 2.763 2.502 2.934 . 0 0 "[ . 1 . 2]" 1
197 1 32 LYS HA 1 35 THR H . . 3.920 3.609 3.198 3.951 0.031 8 0 "[ . 1 . 2]" 1
198 1 32 LYS HA 1 35 THR HB . . 3.980 3.187 2.462 4.044 0.064 18 0 "[ . 1 . 2]" 1
199 1 32 LYS HA 1 35 THR MG . . 4.920 4.278 3.267 4.767 . 0 0 "[ . 1 . 2]" 1
200 1 32 LYS QB 1 33 ILE H . . 4.300 2.471 2.267 2.879 . 0 0 "[ . 1 . 2]" 1
201 1 32 LYS HB2 1 33 ILE H . . 4.720 3.260 2.313 3.811 . 0 0 "[ . 1 . 2]" 1
202 1 32 LYS HB3 1 33 ILE H . . 4.720 2.872 2.288 3.558 . 0 0 "[ . 1 . 2]" 1
203 1 32 LYS QG 1 33 ILE H . . 6.380 3.899 3.436 4.660 . 0 0 "[ . 1 . 2]" 1
204 1 33 ILE H 1 33 ILE HB . . 3.700 3.081 2.520 3.667 . 0 0 "[ . 1 . 2]" 1
205 1 33 ILE H 1 33 ILE MD . . 4.670 3.572 3.374 3.730 . 0 0 "[ . 1 . 2]" 1
206 1 33 ILE H 1 33 ILE HG12 . . 5.500 2.730 1.984 3.443 . 0 0 "[ . 1 . 2]" 1
207 1 33 ILE H 1 33 ILE HG13 . . 5.500 2.493 1.828 3.342 . 0 0 "[ . 1 . 2]" 1
208 1 33 ILE H 1 33 ILE MG . . 4.330 3.102 2.136 3.780 . 0 0 "[ . 1 . 2]" 1
209 1 33 ILE H 1 34 ALA H . . 3.210 2.618 2.491 2.760 . 0 0 "[ . 1 . 2]" 1
210 1 33 ILE HA 1 36 ALA MB . . 5.010 2.960 2.173 4.004 . 0 0 "[ . 1 . 2]" 1
211 1 33 ILE HA 2 80 VAL QG . . 7.190 5.195 3.827 6.815 . 0 0 "[ . 1 . 2]" 1
212 1 33 ILE HB 1 34 ALA H . . 3.800 3.076 2.296 3.857 0.057 10 0 "[ . 1 . 2]" 1
213 1 33 ILE MD 1 34 ALA H . . 4.570 4.161 3.857 4.477 . 0 0 "[ . 1 . 2]" 1
214 1 33 ILE MD 2 82 ILE HB . . 6.530 4.567 2.544 6.567 0.037 6 0 "[ . 1 . 2]" 1
215 1 33 ILE MD 2 83 ALA HA . . 4.880 2.933 2.226 3.750 . 0 0 "[ . 1 . 2]" 1
216 1 33 ILE MD 2 83 ALA MB . . 6.840 2.501 1.796 3.250 . 0 0 "[ . 1 . 2]" 1
217 1 33 ILE MD 2 86 ILE MD . . 5.850 2.580 1.761 4.234 . 0 0 "[ . 1 . 2]" 1
218 1 33 ILE QG 1 34 ALA H . . 5.220 3.092 2.111 3.977 . 0 0 "[ . 1 . 2]" 1
219 1 33 ILE HG12 1 34 ALA H . . 5.500 3.930 2.621 4.923 . 0 0 "[ . 1 . 2]" 1
220 1 33 ILE HG13 1 34 ALA H . . 5.500 3.239 2.160 4.199 . 0 0 "[ . 1 . 2]" 1
221 1 33 ILE MG 1 34 ALA H . . 5.380 3.706 3.268 4.064 . 0 0 "[ . 1 . 2]" 1
222 1 33 ILE MG 2 83 ALA MB . . 6.630 2.207 1.837 2.890 . 0 0 "[ . 1 . 2]" 1
223 1 33 ILE MG 2 84 LYS H . . 5.290 5.218 4.546 5.419 0.129 4 0 "[ . 1 . 2]" 1
224 1 33 ILE MG 2 86 ILE MD . . 7.560 3.808 2.114 6.612 . 0 0 "[ . 1 . 2]" 1
225 1 34 ALA H 1 35 THR H . . 3.830 2.651 2.464 2.786 . 0 0 "[ . 1 . 2]" 1
226 1 34 ALA HA 1 37 LEU MD1 . . 6.530 3.083 1.942 4.998 . 0 0 "[ . 1 . 2]" 1
227 1 34 ALA HA 1 37 LEU QD . . 5.950 2.220 1.882 3.122 . 0 0 "[ . 1 . 2]" 1
228 1 34 ALA HA 1 37 LEU MD2 . . 6.530 2.601 1.910 3.936 . 0 0 "[ . 1 . 2]" 1
229 1 35 THR H 1 35 THR HB . . 3.330 2.635 2.540 3.522 0.192 18 0 "[ . 1 . 2]" 1
230 1 35 THR H 1 35 THR MG . . 4.730 3.710 2.589 3.793 . 0 0 "[ . 1 . 2]" 1
231 1 35 THR H 1 36 ALA H . . 3.240 2.601 2.419 2.768 . 0 0 "[ . 1 . 2]" 1
232 1 35 THR H 1 37 LEU QD . . 6.640 4.628 4.384 5.061 . 0 0 "[ . 1 . 2]" 1
233 1 35 THR HA 1 37 LEU HG . . 4.760 4.709 4.165 4.940 0.180 9 0 "[ . 1 . 2]" 1
234 1 35 THR HA 1 38 LEU H . . 4.380 3.513 3.166 3.857 . 0 0 "[ . 1 . 2]" 1
235 1 35 THR HA 1 38 LEU QB . . 4.990 2.963 2.145 4.010 . 0 0 "[ . 1 . 2]" 1
236 1 35 THR HA 1 38 LEU MD1 . . 5.910 3.608 1.968 5.380 . 0 0 "[ . 1 . 2]" 1
237 1 35 THR HA 1 38 LEU QD . . 4.950 2.701 1.861 3.860 . 0 0 "[ . 1 . 2]" 1
238 1 35 THR HA 1 38 LEU MD2 . . 5.910 3.597 1.862 4.882 . 0 0 "[ . 1 . 2]" 1
239 1 35 THR HA 1 87 LEU MD2 . . 4.260 3.207 1.978 4.283 0.023 6 0 "[ . 1 . 2]" 1
240 1 35 THR HB 1 36 ALA H . . 3.610 2.841 2.525 3.631 0.021 18 0 "[ . 1 . 2]" 1
241 1 35 THR MG 1 36 ALA H . . 4.730 3.723 3.524 4.224 . 0 0 "[ . 1 . 2]" 1
242 1 35 THR MG 1 38 LEU H . . 6.500 4.524 3.826 4.927 . 0 0 "[ . 1 . 2]" 1
243 1 35 THR MG 1 87 LEU MD2 . . 6.190 4.093 2.186 5.464 . 0 0 "[ . 1 . 2]" 1
244 1 36 ALA H 1 37 LEU H . . 3.800 2.694 2.488 2.893 . 0 0 "[ . 1 . 2]" 1
245 1 36 ALA H 1 37 LEU QD . . 6.950 4.378 3.988 4.568 . 0 0 "[ . 1 . 2]" 1
246 1 36 ALA HA 1 37 LEU H . . 3.640 3.537 3.455 3.578 . 0 0 "[ . 1 . 2]" 1
247 1 36 ALA HA 1 39 LYS H . . 4.690 3.495 3.046 3.847 . 0 0 "[ . 1 . 2]" 1
248 1 36 ALA HA 1 39 LYS QB . . 4.330 2.944 2.251 3.609 . 0 0 "[ . 1 . 2]" 1
249 1 36 ALA HA 1 39 LYS QD . . 6.380 4.501 2.573 6.345 . 0 0 "[ . 1 . 2]" 1
250 1 36 ALA HA 1 39 LYS HG2 . . 5.500 4.846 3.654 5.544 0.044 20 0 "[ . 1 . 2]" 1
251 1 36 ALA HA 1 39 LYS QG . . 5.300 3.960 2.828 4.755 . 0 0 "[ . 1 . 2]" 1
252 1 36 ALA HA 1 39 LYS HG3 . . 5.500 4.444 2.860 5.573 0.073 11 0 "[ . 1 . 2]" 1
253 1 36 ALA HA 1 40 THR H . . 4.790 4.402 3.775 4.833 0.043 3 0 "[ . 1 . 2]" 1
254 1 36 ALA HA 2 58 LEU MD1 . . 4.570 4.099 3.100 4.678 0.108 14 0 "[ . 1 . 2]" 1
255 1 36 ALA MB 1 37 LEU H . . 4.390 2.582 2.347 2.868 . 0 0 "[ . 1 . 2]" 1
256 1 36 ALA MB 1 38 LEU H . . 6.190 4.415 4.250 4.656 . 0 0 "[ . 1 . 2]" 1
257 1 36 ALA MB 2 58 LEU MD1 . . 6.560 2.967 1.795 4.013 . 0 0 "[ . 1 . 2]" 1
258 1 36 ALA MB 2 79 PRO QB . . 4.990 2.842 1.879 4.203 . 0 0 "[ . 1 . 2]" 1
259 1 36 ALA MB 2 79 PRO QG . . 5.860 2.445 1.744 3.641 . 0 0 "[ . 1 . 2]" 1
260 1 37 LEU H 1 37 LEU HB2 . . 3.520 3.323 2.605 3.622 0.102 16 0 "[ . 1 . 2]" 1
261 1 37 LEU H 1 37 LEU HB3 . . 3.520 2.919 2.518 3.580 0.060 10 0 "[ . 1 . 2]" 1
262 1 37 LEU H 1 37 LEU MD1 . . 5.130 3.582 3.434 3.839 . 0 0 "[ . 1 . 2]" 1
263 1 37 LEU H 1 37 LEU QD . . 4.690 2.884 2.533 3.035 . 0 0 "[ . 1 . 2]" 1
264 1 37 LEU H 1 37 LEU MD2 . . 5.130 3.055 2.591 3.316 . 0 0 "[ . 1 . 2]" 1
265 1 37 LEU H 1 37 LEU HG . . 4.140 2.089 1.865 2.408 . 0 0 "[ . 1 . 2]" 1
266 1 37 LEU H 1 38 LEU H . . 3.640 2.573 2.400 2.687 . 0 0 "[ . 1 . 2]" 1
267 1 37 LEU HA 1 40 THR H . . 4.070 3.473 3.024 4.116 0.046 17 0 "[ . 1 . 2]" 1
268 1 37 LEU QB 1 38 LEU H . . 4.580 3.317 2.442 3.656 . 0 0 "[ . 1 . 2]" 1
269 1 37 LEU QD 1 38 LEU H . . 5.100 3.037 2.334 4.120 . 0 0 "[ . 1 . 2]" 1
270 1 37 LEU MD1 1 38 LEU H . . 5.850 3.210 2.347 4.731 . 0 0 "[ . 1 . 2]" 1
271 1 37 LEU MD2 1 38 LEU H . . 5.850 4.282 3.993 4.565 . 0 0 "[ . 1 . 2]" 1
272 1 37 LEU HG 1 38 LEU H . . 4.540 3.013 2.319 4.199 . 0 0 "[ . 1 . 2]" 1
273 1 38 LEU H 1 38 LEU HB2 . . 3.800 2.398 2.172 2.586 . 0 0 "[ . 1 . 2]" 1
274 1 38 LEU H 1 38 LEU QB . . 3.370 2.301 2.120 2.529 . 0 0 "[ . 1 . 2]" 1
275 1 38 LEU H 1 38 LEU HB3 . . 3.800 3.233 2.511 3.615 . 0 0 "[ . 1 . 2]" 1
276 1 38 LEU H 1 38 LEU MD1 . . 5.350 3.396 1.787 4.257 . 0 0 "[ . 1 . 2]" 1
277 1 38 LEU H 1 38 LEU QD . . 4.970 2.913 1.785 3.773 . 0 0 "[ . 1 . 2]" 1
278 1 38 LEU H 1 38 LEU MD2 . . 5.350 3.646 2.001 4.273 . 0 0 "[ . 1 . 2]" 1
279 1 38 LEU H 1 39 LYS H . . 4.230 2.523 2.318 2.778 . 0 0 "[ . 1 . 2]" 1
280 1 38 LEU HA 1 38 LEU MD1 . . 4.700 2.739 1.857 3.884 . 0 0 "[ . 1 . 2]" 1
281 1 38 LEU HA 1 38 LEU QD . . 4.000 2.208 1.814 2.990 . 0 0 "[ . 1 . 2]" 1
282 1 38 LEU HA 1 38 LEU MD2 . . 4.700 3.168 1.935 3.883 . 0 0 "[ . 1 . 2]" 1
283 1 38 LEU HA 1 40 THR H . . 5.130 4.451 3.720 5.181 0.051 8 0 "[ . 1 . 2]" 1
284 1 38 LEU HA 1 41 ALA MB . . 6.430 4.096 2.736 5.202 . 0 0 "[ . 1 . 2]" 1
285 1 38 LEU HB2 1 39 LYS H . . 3.890 3.241 2.737 3.961 0.071 4 0 "[ . 1 . 2]" 1
286 1 38 LEU HB3 1 39 LYS H . . 3.890 3.368 2.315 3.888 . 0 0 "[ . 1 . 2]" 1
287 1 38 LEU QD 1 80 VAL QG . . 10.100 3.395 2.083 5.410 . 0 0 "[ . 1 . 2]" 1
288 1 38 LEU QD 1 84 LYS QE . . 6.530 3.438 1.760 5.365 . 0 0 "[ . 1 . 2]" 1
289 1 38 LEU QD 1 84 LYS QG . . 5.550 3.604 2.267 5.265 . 0 0 "[ . 1 . 2]" 1
290 1 38 LEU MD1 1 39 LYS H . . 5.500 4.483 3.726 4.756 . 0 0 "[ . 1 . 2]" 1
291 1 38 LEU MD1 1 84 LYS HE2 . . 8.280 4.236 2.090 6.920 . 0 0 "[ . 1 . 2]" 1
292 1 38 LEU MD1 1 84 LYS HE3 . . 8.280 4.751 1.902 7.331 . 0 0 "[ . 1 . 2]" 1
293 1 38 LEU MD1 1 84 LYS HG2 . . 7.530 4.675 2.654 6.968 . 0 0 "[ . 1 . 2]" 1
294 1 38 LEU MD1 1 84 LYS HG3 . . 7.530 4.697 2.851 7.504 . 0 0 "[ . 1 . 2]" 1
295 1 38 LEU MD2 1 39 LYS H . . 5.500 4.546 3.186 5.065 . 0 0 "[ . 1 . 2]" 1
296 1 38 LEU MD2 1 84 LYS HE2 . . 8.280 4.604 2.039 7.447 . 0 0 "[ . 1 . 2]" 1
297 1 38 LEU MD2 1 84 LYS HE3 . . 8.280 5.238 2.432 7.477 . 0 0 "[ . 1 . 2]" 1
298 1 38 LEU MD2 1 84 LYS HG2 . . 7.530 4.824 2.400 6.603 . 0 0 "[ . 1 . 2]" 1
299 1 38 LEU MD2 1 84 LYS HG3 . . 7.530 5.078 2.792 7.542 0.012 3 0 "[ . 1 . 2]" 1
300 1 39 LYS H 1 39 LYS HB2 . . 3.450 2.425 2.169 2.836 . 0 0 "[ . 1 . 2]" 1
301 1 39 LYS H 1 39 LYS QB . . 3.260 2.287 2.121 2.428 . 0 0 "[ . 1 . 2]" 1
302 1 39 LYS H 1 39 LYS HB3 . . 3.450 3.140 2.197 3.609 0.159 14 0 "[ . 1 . 2]" 1
303 1 39 LYS H 1 39 LYS HD2 . . 5.500 4.741 3.695 5.191 . 0 0 "[ . 1 . 2]" 1
304 1 39 LYS H 1 39 LYS HD3 . . 5.500 4.653 4.028 5.625 0.125 11 0 "[ . 1 . 2]" 1
305 1 39 LYS H 1 39 LYS QE . . 6.380 5.044 3.777 5.933 . 0 0 "[ . 1 . 2]" 1
306 1 39 LYS H 1 39 LYS HG2 . . 5.130 3.869 2.561 4.620 . 0 0 "[ . 1 . 2]" 1
307 1 39 LYS H 1 39 LYS HG3 . . 5.130 3.595 2.319 4.528 . 0 0 "[ . 1 . 2]" 1
308 1 39 LYS H 1 40 THR H . . 3.420 2.506 2.255 2.767 . 0 0 "[ . 1 . 2]" 1
309 1 39 LYS H 1 40 THR MG . . 6.250 4.793 3.732 6.059 . 0 0 "[ . 1 . 2]" 1
310 1 39 LYS H 1 41 ALA H . . 4.970 4.371 3.719 5.106 0.136 4 0 "[ . 1 . 2]" 1
311 1 39 LYS HA 1 39 LYS HD2 . . 5.500 3.603 1.930 4.837 . 0 0 "[ . 1 . 2]" 1
312 1 39 LYS HA 1 39 LYS HD3 . . 5.500 3.827 1.915 4.747 . 0 0 "[ . 1 . 2]" 1
313 1 39 LYS HA 1 40 THR H . . 3.550 3.494 3.326 3.586 0.036 7 0 "[ . 1 . 2]" 1
314 1 39 LYS QB 1 40 THR H . . 4.420 2.742 2.228 3.178 . 0 0 "[ . 1 . 2]" 1
315 1 39 LYS QB 1 40 THR MG . . 6.660 3.557 2.531 5.079 . 0 0 "[ . 1 . 2]" 1
316 1 39 LYS HB2 1 40 THR H . . 4.760 3.286 2.263 4.180 . 0 0 "[ . 1 . 2]" 1
317 1 39 LYS HB3 1 40 THR H . . 4.760 3.305 2.272 4.124 . 0 0 "[ . 1 . 2]" 1
318 1 39 LYS QE 1 40 THR H . . 6.380 5.441 4.511 6.410 0.030 2 0 "[ . 1 . 2]" 1
319 1 39 LYS HG2 1 40 THR H . . 5.500 4.822 3.320 5.492 . 0 0 "[ . 1 . 2]" 1
320 1 39 LYS HG3 1 40 THR H . . 5.500 4.509 3.171 5.277 . 0 0 "[ . 1 . 2]" 1
321 1 40 THR H 1 40 THR HB . . 4.010 3.277 2.563 3.806 . 0 0 "[ . 1 . 2]" 1
322 1 40 THR H 1 41 ALA H . . 3.490 2.504 1.728 3.341 . 0 0 "[ . 1 . 2]" 1
323 1 40 THR H 1 41 ALA MB . . 4.880 3.891 3.444 4.223 . 0 0 "[ . 1 . 2]" 1
324 1 40 THR H 1 42 ILE H . . 4.480 4.207 3.175 4.995 0.515 16 1 "[ . 1 .+ 2]" 1
325 1 40 THR HA 1 42 ILE H . . 4.410 3.875 2.809 4.370 . 0 0 "[ . 1 . 2]" 1
326 1 40 THR HB 1 41 ALA H . . 4.320 3.457 1.923 4.475 0.155 7 0 "[ . 1 . 2]" 1
327 1 40 THR MG 1 41 ALA H . . 5.290 3.645 2.533 4.381 . 0 0 "[ . 1 . 2]" 1
328 1 40 THR MG 1 42 ILE H . . 6.530 4.898 3.170 5.692 . 0 0 "[ . 1 . 2]" 1
329 1 41 ALA H 1 42 ILE H . . 3.670 2.619 1.767 3.751 0.081 4 0 "[ . 1 . 2]" 1
330 1 41 ALA MB 1 57 LYS H . . 6.530 4.858 2.999 6.546 0.016 20 0 "[ . 1 . 2]" 1
331 1 41 ALA MB 1 80 VAL QG . . 7.530 4.307 3.321 5.561 . 0 0 "[ . 1 . 2]" 1
332 1 41 ALA MB 2 80 VAL QG . . 9.120 5.975 4.176 7.401 . 0 0 "[ . 1 . 2]" 1
333 1 42 ILE H 1 42 ILE HB . . 3.360 2.716 2.511 3.547 0.187 4 0 "[ . 1 . 2]" 1
334 1 42 ILE H 1 42 ILE MD . . 4.540 3.633 2.527 4.344 . 0 0 "[ . 1 . 2]" 1
335 1 42 ILE H 1 42 ILE HG12 . . 5.500 3.298 1.788 5.090 . 0 0 "[ . 1 . 2]" 1
336 1 42 ILE H 1 42 ILE QG . . 4.830 2.536 1.775 4.270 . 0 0 "[ . 1 . 2]" 1
337 1 42 ILE H 1 42 ILE HG13 . . 5.500 3.080 1.789 4.586 . 0 0 "[ . 1 . 2]" 1
338 1 42 ILE H 1 43 GLU H . . 5.070 4.295 3.658 4.664 . 0 0 "[ . 1 . 2]" 1
339 1 42 ILE HA 1 43 GLU H . . 3.240 2.222 2.137 2.512 . 0 0 "[ . 1 . 2]" 1
340 1 42 ILE HB 1 43 GLU H . . 4.320 4.091 2.103 4.414 0.094 12 0 "[ . 1 . 2]" 1
341 1 42 ILE MD 1 43 GLU H . . 6.340 4.589 2.401 5.564 . 0 0 "[ . 1 . 2]" 1
342 1 42 ILE MD 1 57 LYS H . . 6.090 4.942 2.007 6.096 0.006 17 0 "[ . 1 . 2]" 1
343 1 42 ILE MD 1 72 ILE MG . . 7.560 5.171 2.836 7.287 . 0 0 "[ . 1 . 2]" 1
344 1 42 ILE QG 1 43 GLU H . . 6.380 4.244 2.053 4.919 . 0 0 "[ . 1 . 2]" 1
345 1 42 ILE MG 1 43 GLU H . . 4.790 2.929 2.096 3.504 . 0 0 "[ . 1 . 2]" 1
346 1 42 ILE MG 1 43 GLU HA . . 6.530 3.880 3.518 5.365 . 0 0 "[ . 1 . 2]" 1
347 1 42 ILE MG 1 43 GLU QB . . 7.310 4.541 3.834 5.465 . 0 0 "[ . 1 . 2]" 1
348 1 43 GLU H 1 43 GLU HG2 . . 5.500 3.727 2.063 4.979 . 0 0 "[ . 1 . 2]" 1
349 1 43 GLU H 1 43 GLU HG3 . . 5.500 4.069 2.725 4.705 . 0 0 "[ . 1 . 2]" 1
350 1 43 GLU H 1 44 ILE H . . 5.500 4.450 4.286 4.539 . 0 0 "[ . 1 . 2]" 1
351 1 43 GLU H 1 55 GLN H . . 4.380 3.867 3.086 4.422 0.042 1 0 "[ . 1 . 2]" 1
352 1 43 GLU H 1 57 LYS H . . 5.220 4.466 3.551 5.366 0.146 7 0 "[ . 1 . 2]" 1
353 1 43 GLU HA 1 44 ILE H . . 2.870 2.271 2.116 2.439 . 0 0 "[ . 1 . 2]" 1
354 1 43 GLU QB 1 44 ILE H . . 3.740 3.088 2.291 3.603 . 0 0 "[ . 1 . 2]" 1
355 1 43 GLU QB 1 45 VAL QG . . 8.870 3.740 3.145 4.464 . 0 0 "[ . 1 . 2]" 1
356 1 43 GLU HB2 1 44 ILE H . . 4.040 3.413 2.312 4.087 0.047 10 0 "[ . 1 . 2]" 1
357 1 43 GLU HB3 1 44 ILE H . . 4.040 3.805 3.312 4.096 0.056 1 0 "[ . 1 . 2]" 1
358 1 43 GLU QG 1 45 VAL QG . . 5.750 3.180 2.344 3.898 . 0 0 "[ . 1 . 2]" 1
359 1 43 GLU HG2 1 44 ILE H . . 5.500 3.955 2.641 5.116 . 0 0 "[ . 1 . 2]" 1
360 1 43 GLU HG2 1 45 VAL MG1 . . 6.530 4.190 2.756 6.555 0.025 8 0 "[ . 1 . 2]" 1
361 1 43 GLU HG2 1 45 VAL MG2 . . 6.530 5.461 3.761 6.610 0.080 11 0 "[ . 1 . 2]" 1
362 1 43 GLU HG3 1 44 ILE H . . 5.500 3.261 2.092 5.195 . 0 0 "[ . 1 . 2]" 1
363 1 43 GLU HG3 1 45 VAL MG1 . . 6.530 3.887 2.575 6.152 . 0 0 "[ . 1 . 2]" 1
364 1 43 GLU HG3 1 45 VAL MG2 . . 6.530 5.134 2.834 6.545 0.015 19 0 "[ . 1 . 2]" 1
365 1 44 ILE H 1 44 ILE HB . . 3.210 3.261 2.427 3.657 0.447 4 0 "[ . 1 . 2]" 1
366 1 44 ILE H 1 44 ILE MD . . 5.600 3.604 2.268 4.694 . 0 0 "[ . 1 . 2]" 1
367 1 44 ILE H 1 44 ILE HG12 . . 5.130 2.993 1.847 4.643 . 0 0 "[ . 1 . 2]" 1
368 1 44 ILE H 1 44 ILE QG . . 4.780 2.631 1.770 4.284 . 0 0 "[ . 1 . 2]" 1
369 1 44 ILE H 1 44 ILE HG13 . . 5.130 3.383 1.776 5.026 . 0 0 "[ . 1 . 2]" 1
370 1 44 ILE H 1 44 ILE MG . . 4.480 2.867 1.779 3.793 . 0 0 "[ . 1 . 2]" 1
371 1 44 ILE H 1 45 VAL H . . 5.250 4.328 4.156 4.452 . 0 0 "[ . 1 . 2]" 1
372 1 44 ILE HA 1 45 VAL H . . 3.110 2.132 2.113 2.154 . 0 0 "[ . 1 . 2]" 1
373 1 44 ILE HA 1 45 VAL QG . . 8.090 3.370 3.230 3.505 . 0 0 "[ . 1 . 2]" 1
374 1 44 ILE HB 1 45 VAL H . . 4.570 3.808 3.193 4.413 . 0 0 "[ . 1 . 2]" 1
375 1 44 ILE HB 1 53 HIS H . . 5.500 4.741 3.530 5.607 0.107 17 0 "[ . 1 . 2]" 1
376 1 44 ILE MD 1 45 VAL H . . 6.030 4.329 3.153 5.358 . 0 0 "[ . 1 . 2]" 1
377 1 44 ILE MD 1 46 SER HB2 . . 6.530 5.093 3.159 6.602 0.072 14 0 "[ . 1 . 2]" 1
378 1 44 ILE MD 1 46 SER QB . . 6.170 4.455 2.419 5.737 . 0 0 "[ . 1 . 2]" 1
379 1 44 ILE MD 1 46 SER HB3 . . 6.530 5.272 2.452 6.623 0.093 17 0 "[ . 1 . 2]" 1
380 1 44 ILE MD 1 53 HIS H . . 6.530 4.582 2.645 6.003 . 0 0 "[ . 1 . 2]" 1
381 1 44 ILE MD 1 65 TRP HE3 . . 6.310 5.025 2.889 6.328 0.018 11 0 "[ . 1 . 2]" 1
382 1 44 ILE HG12 1 45 VAL H . . 5.500 4.664 2.656 5.607 0.107 9 0 "[ . 1 . 2]" 1
383 1 44 ILE HG13 1 45 VAL H . . 5.500 4.767 3.097 5.592 0.092 14 0 "[ . 1 . 2]" 1
384 1 44 ILE MG 1 45 VAL H . . 4.300 3.697 2.909 4.192 . 0 0 "[ . 1 . 2]" 1
385 1 44 ILE MG 1 45 VAL HA . . 6.280 4.761 3.342 5.624 . 0 0 "[ . 1 . 2]" 1
386 1 44 ILE MG 1 52 ALA HA . . 5.780 4.906 3.093 5.817 0.037 18 0 "[ . 1 . 2]" 1
387 1 44 ILE MG 1 52 ALA MB . . 5.700 3.273 1.757 4.173 . 0 0 "[ . 1 . 2]" 1
388 1 44 ILE MG 1 53 HIS H . . 5.440 4.304 2.694 5.399 . 0 0 "[ . 1 . 2]" 1
389 1 44 ILE MG 1 54 ASN HA . . 6.530 3.201 1.828 4.673 . 0 0 "[ . 1 . 2]" 1
390 1 44 ILE MG 1 65 TRP HB2 . . 6.530 4.056 1.954 5.632 . 0 0 "[ . 1 . 2]" 1
391 1 44 ILE MG 1 65 TRP HB3 . . 6.530 4.517 2.282 6.563 0.033 20 0 "[ . 1 . 2]" 1
392 1 44 ILE MG 1 65 TRP HD1 . . 6.530 5.683 3.235 6.600 0.070 15 0 "[ . 1 . 2]" 1
393 1 44 ILE MG 1 65 TRP HE3 . . 6.530 4.635 2.921 6.487 . 0 0 "[ . 1 . 2]" 1
394 1 45 VAL H 1 45 VAL HB . . 3.670 3.592 2.639 3.739 0.069 4 0 "[ . 1 . 2]" 1
395 1 45 VAL H 1 46 SER H . . 4.790 4.366 4.141 4.567 . 0 0 "[ . 1 . 2]" 1
396 1 45 VAL H 1 52 ALA HA . . 5.500 4.980 4.521 5.586 0.086 12 0 "[ . 1 . 2]" 1
397 1 45 VAL H 1 52 ALA MB . . 5.940 4.672 3.960 5.377 . 0 0 "[ . 1 . 2]" 1
398 1 45 VAL H 1 53 HIS H . . 4.410 3.267 2.914 3.652 . 0 0 "[ . 1 . 2]" 1
399 1 45 VAL H 1 54 ASN HA . . 4.540 3.605 3.213 4.188 . 0 0 "[ . 1 . 2]" 1
400 1 45 VAL HA 1 46 SER H . . 2.900 2.165 2.105 2.350 . 0 0 "[ . 1 . 2]" 1
401 1 45 VAL HB 1 46 SER H . . 3.610 3.399 2.636 3.940 0.330 8 0 "[ . 1 . 2]" 1
402 1 45 VAL QG 1 46 SER H . . 4.910 3.425 2.300 3.654 . 0 0 "[ . 1 . 2]" 1
403 1 45 VAL QG 1 46 SER HA . . 8.060 4.132 3.695 4.351 . 0 0 "[ . 1 . 2]" 1
404 1 45 VAL QG 1 52 ALA HA . . 8.060 4.493 3.917 4.991 . 0 0 "[ . 1 . 2]" 1
405 1 45 VAL QG 1 53 HIS QB . . 6.040 2.220 1.755 3.744 . 0 0 "[ . 1 . 2]" 1
406 1 45 VAL QG 1 55 GLN H . . 6.070 3.663 2.995 4.469 . 0 0 "[ . 1 . 2]" 1
407 1 45 VAL QG 1 55 GLN QE . . 5.770 2.387 1.737 3.546 . 0 0 "[ . 1 . 2]" 1
408 1 45 VAL MG1 1 46 SER H . . 5.290 3.744 2.312 3.989 . 0 0 "[ . 1 . 2]" 1
409 1 45 VAL MG1 1 53 HIS HB2 . . 8.130 4.696 3.335 5.321 . 0 0 "[ . 1 . 2]" 1
410 1 45 VAL MG1 1 53 HIS HB3 . . 8.130 5.543 4.442 6.464 . 0 0 "[ . 1 . 2]" 1
411 1 45 VAL MG1 1 55 GLN HE21 . . 7.300 3.387 1.953 5.801 . 0 0 "[ . 1 . 2]" 1
412 1 45 VAL MG1 1 55 GLN HE22 . . 7.300 3.790 2.251 5.774 . 0 0 "[ . 1 . 2]" 1
413 1 45 VAL MG2 1 46 SER H . . 5.290 4.081 3.535 4.281 . 0 0 "[ . 1 . 2]" 1
414 1 45 VAL MG2 1 53 HIS HB2 . . 8.130 2.335 1.768 4.383 . 0 0 "[ . 1 . 2]" 1
415 1 45 VAL MG2 1 53 HIS HB3 . . 8.130 3.332 1.937 4.631 . 0 0 "[ . 1 . 2]" 1
416 1 45 VAL MG2 1 55 GLN HE21 . . 7.300 3.002 1.766 5.576 . 0 0 "[ . 1 . 2]" 1
417 1 45 VAL MG2 1 55 GLN HE22 . . 7.300 3.406 1.819 5.401 . 0 0 "[ . 1 . 2]" 1
418 1 46 SER H 1 46 SER HB2 . . 3.730 2.907 2.528 3.616 . 0 0 "[ . 1 . 2]" 1
419 1 46 SER H 1 46 SER QB . . 3.500 2.521 2.322 2.888 . 0 0 "[ . 1 . 2]" 1
420 1 46 SER H 1 46 SER HB3 . . 3.730 3.015 2.518 3.664 . 0 0 "[ . 1 . 2]" 1
421 1 46 SER H 1 47 GLU H . . 5.220 4.475 4.267 4.557 . 0 0 "[ . 1 . 2]" 1
422 1 46 SER H 1 52 ALA HA . . 5.500 4.557 3.927 5.116 . 0 0 "[ . 1 . 2]" 1
423 1 46 SER HA 1 47 GLU H . . 2.960 2.167 2.060 2.349 . 0 0 "[ . 1 . 2]" 1
424 1 46 SER HA 1 47 GLU QB . . 5.670 4.358 4.045 4.622 . 0 0 "[ . 1 . 2]" 1
425 1 46 SER HA 1 47 GLU QG . . 6.380 3.848 3.537 4.835 . 0 0 "[ . 1 . 2]" 1
426 1 46 SER HA 1 52 ALA HA . . 5.130 2.078 1.726 2.721 . 0 0 "[ . 1 . 2]" 1
427 1 46 SER HA 1 52 ALA MB . . 5.410 3.199 2.441 3.883 . 0 0 "[ . 1 . 2]" 1
428 1 46 SER HA 1 53 HIS H . . 4.110 3.150 2.409 4.063 . 0 0 "[ . 1 . 2]" 1
429 1 46 SER QB 1 47 GLU H . . 3.770 3.253 2.512 3.686 . 0 0 "[ . 1 . 2]" 1
430 1 46 SER QB 1 52 ALA HA . . 6.380 3.498 2.339 4.493 . 0 0 "[ . 1 . 2]" 1
431 1 46 SER QB 1 52 ALA MB . . 5.810 3.351 2.102 4.635 . 0 0 "[ . 1 . 2]" 1
432 1 46 SER HB2 1 47 GLU H . . 3.980 3.833 3.009 4.216 0.236 6 0 "[ . 1 . 2]" 1
433 1 46 SER HB2 1 52 ALA MB . . 6.160 3.938 2.384 5.916 . 0 0 "[ . 1 . 2]" 1
434 1 46 SER HB3 1 47 GLU H . . 3.980 3.666 2.559 4.096 0.116 1 0 "[ . 1 . 2]" 1
435 1 46 SER HB3 1 52 ALA MB . . 6.160 4.066 2.175 6.023 . 0 0 "[ . 1 . 2]" 1
436 1 47 GLU H 1 47 GLU HB2 . . 3.890 2.471 2.234 2.780 . 0 0 "[ . 1 . 2]" 1
437 1 47 GLU H 1 47 GLU QB . . 3.630 2.431 2.203 2.720 . 0 0 "[ . 1 . 2]" 1
438 1 47 GLU H 1 47 GLU HB3 . . 3.890 3.629 3.359 3.852 . 0 0 "[ . 1 . 2]" 1
439 1 47 GLU H 1 47 GLU HG2 . . 5.500 3.297 2.207 4.297 . 0 0 "[ . 1 . 2]" 1
440 1 47 GLU H 1 47 GLU HG3 . . 5.500 3.203 2.311 4.464 . 0 0 "[ . 1 . 2]" 1
441 1 47 GLU H 1 48 GLU H . . 5.500 4.523 4.362 4.661 . 0 0 "[ . 1 . 2]" 1
442 1 47 GLU H 1 51 GLY H . . 4.200 3.323 2.721 3.848 . 0 0 "[ . 1 . 2]" 1
443 1 47 GLU H 1 52 ALA H . . 4.450 4.319 2.323 4.579 0.129 17 0 "[ . 1 . 2]" 1
444 1 47 GLU H 1 52 ALA HA . . 3.730 2.999 2.477 3.484 . 0 0 "[ . 1 . 2]" 1
445 1 47 GLU H 1 52 ALA MB . . 6.530 4.170 3.542 4.669 . 0 0 "[ . 1 . 2]" 1
446 1 47 GLU H 1 53 HIS H . . 5.070 4.339 3.672 4.788 . 0 0 "[ . 1 . 2]" 1
447 1 47 GLU H 1 53 HIS HD2 . . 5.500 4.073 3.338 5.520 0.020 5 0 "[ . 1 . 2]" 1
448 1 47 GLU HA 1 51 GLY H . . 5.250 4.858 4.245 5.294 0.044 18 0 "[ . 1 . 2]" 1
449 1 47 GLU QB 1 49 ASP H . . 4.120 2.764 2.110 3.361 . 0 0 "[ . 1 . 2]" 1
450 1 47 GLU QB 1 50 GLY H . . 4.620 2.749 1.942 3.831 . 0 0 "[ . 1 . 2]" 1
451 1 47 GLU QB 1 51 GLY H . . 3.660 2.244 1.778 3.027 . 0 0 "[ . 1 . 2]" 1
452 1 47 GLU HB2 1 49 ASP H . . 4.540 3.793 2.866 4.440 . 0 0 "[ . 1 . 2]" 1
453 1 47 GLU HB2 1 50 GLY H . . 4.940 3.075 2.169 4.572 . 0 0 "[ . 1 . 2]" 1
454 1 47 GLU HB2 1 51 GLY H . . 3.890 2.284 1.785 3.142 . 0 0 "[ . 1 . 2]" 1
455 1 47 GLU HB3 1 49 ASP H . . 4.540 2.857 2.131 3.603 . 0 0 "[ . 1 . 2]" 1
456 1 47 GLU HB3 1 50 GLY H . . 4.940 3.250 2.059 4.873 . 0 0 "[ . 1 . 2]" 1
457 1 47 GLU HB3 1 51 GLY H . . 3.890 3.615 2.637 3.956 0.066 8 0 "[ . 1 . 2]" 1
458 1 47 GLU QG 1 49 ASP H . . 6.380 4.782 4.163 5.483 . 0 0 "[ . 1 . 2]" 1
459 1 47 GLU QG 1 52 ALA HA . . 6.100 4.143 2.564 5.244 . 0 0 "[ . 1 . 2]" 1
460 1 47 GLU QG 1 53 HIS H . . 6.380 4.443 3.210 5.539 . 0 0 "[ . 1 . 2]" 1
461 1 47 GLU QG 1 53 HIS HD2 . . 6.380 2.602 1.950 3.536 . 0 0 "[ . 1 . 2]" 1
462 1 47 GLU HG2 1 48 GLU H . . 5.500 4.472 3.838 5.143 . 0 0 "[ . 1 . 2]" 1
463 1 47 GLU HG3 1 48 GLU H . . 5.500 4.971 4.128 5.453 . 0 0 "[ . 1 . 2]" 1
464 1 48 GLU H 1 48 GLU HG2 . . 5.500 4.023 2.027 4.613 . 0 0 "[ . 1 . 2]" 1
465 1 48 GLU H 1 48 GLU HG3 . . 5.500 3.820 2.182 4.530 . 0 0 "[ . 1 . 2]" 1
466 1 48 GLU H 1 49 ASP H . . 4.760 2.578 2.140 2.912 . 0 0 "[ . 1 . 2]" 1
467 1 48 GLU HA 1 49 ASP H . . 3.450 3.487 3.397 3.537 0.087 4 0 "[ . 1 . 2]" 1
468 1 48 GLU QB 1 49 ASP H . . 3.710 2.677 2.037 3.443 . 0 0 "[ . 1 . 2]" 1
469 1 48 GLU QB 1 49 ASP QB . . 7.250 3.871 3.251 5.180 . 0 0 "[ . 1 . 2]" 1
470 1 48 GLU HB2 1 49 ASP H . . 3.890 3.530 2.380 3.969 0.079 9 0 "[ . 1 . 2]" 1
471 1 48 GLU HB3 1 49 ASP H . . 3.890 3.038 2.050 3.984 0.094 5 0 "[ . 1 . 2]" 1
472 1 48 GLU QG 1 49 ASP HA . . 6.380 4.559 3.427 6.071 . 0 0 "[ . 1 . 2]" 1
473 1 48 GLU QG 1 49 ASP QB . . 7.250 4.263 3.035 5.764 . 0 0 "[ . 1 . 2]" 1
474 1 48 GLU HG2 1 49 ASP H . . 5.500 4.095 2.536 5.130 . 0 0 "[ . 1 . 2]" 1
475 1 48 GLU HG3 1 49 ASP H . . 5.500 4.376 1.974 5.132 . 0 0 "[ . 1 . 2]" 1
476 1 49 ASP H 1 49 ASP HB2 . . 3.670 3.071 2.465 3.721 0.051 4 0 "[ . 1 . 2]" 1
477 1 49 ASP H 1 49 ASP QB . . 3.470 2.542 2.202 2.964 . 0 0 "[ . 1 . 2]" 1
478 1 49 ASP H 1 49 ASP HB3 . . 3.670 2.799 2.306 3.605 . 0 0 "[ . 1 . 2]" 1
479 1 49 ASP H 1 50 GLY H . . 4.290 2.832 1.767 4.058 . 0 0 "[ . 1 . 2]" 1
480 1 49 ASP HB2 1 50 GLY H . . 4.290 4.002 2.833 4.425 0.135 19 0 "[ . 1 . 2]" 1
481 1 49 ASP HB3 1 50 GLY H . . 4.290 3.445 2.245 4.398 0.108 4 0 "[ . 1 . 2]" 1
482 1 50 GLY H 1 51 GLY H . . 4.410 2.754 1.785 3.865 . 0 0 "[ . 1 . 2]" 1
483 1 51 GLY H 1 52 ALA H . . 4.140 4.237 3.925 4.429 0.289 16 0 "[ . 1 . 2]" 1
484 1 51 GLY QA 1 52 ALA H . . 2.880 2.171 2.054 2.250 . 0 0 "[ . 1 . 2]" 1
485 1 51 GLY QA 1 52 ALA MB . . 6.240 3.687 3.467 3.790 . 0 0 "[ . 1 . 2]" 1
486 1 51 GLY HA2 1 52 ALA H . . 3.080 2.575 2.109 3.188 0.108 9 0 "[ . 1 . 2]" 1
487 1 51 GLY HA2 1 52 ALA MB . . 6.530 4.015 3.677 4.297 . 0 0 "[ . 1 . 2]" 1
488 1 51 GLY HA3 1 52 ALA H . . 3.080 2.557 2.080 3.100 0.020 8 0 "[ . 1 . 2]" 1
489 1 51 GLY HA3 1 52 ALA MB . . 6.530 4.338 4.002 4.752 . 0 0 "[ . 1 . 2]" 1
490 1 52 ALA H 1 53 HIS H . . 4.630 4.390 3.667 4.620 . 0 0 "[ . 1 . 2]" 1
491 1 52 ALA H 1 65 TRP HD1 . . 5.500 4.224 2.339 5.576 0.076 16 0 "[ . 1 . 2]" 1
492 1 52 ALA HA 1 53 HIS H . . 3.270 2.218 2.140 2.362 . 0 0 "[ . 1 . 2]" 1
493 1 52 ALA MB 1 53 HIS H . . 4.170 2.944 2.523 3.612 . 0 0 "[ . 1 . 2]" 1
494 1 52 ALA MB 1 65 TRP H . . 6.430 4.597 3.406 6.456 0.026 15 0 "[ . 1 . 2]" 1
495 1 52 ALA MB 1 65 TRP HA . . 6.530 4.774 4.158 6.198 . 0 0 "[ . 1 . 2]" 1
496 1 52 ALA MB 1 65 TRP HB2 . . 4.610 3.203 1.961 4.626 0.016 6 0 "[ . 1 . 2]" 1
497 1 52 ALA MB 1 65 TRP HB3 . . 4.610 2.928 1.912 4.593 . 0 0 "[ . 1 . 2]" 1
498 1 52 ALA MB 1 65 TRP HD1 . . 5.290 3.154 1.930 4.040 . 0 0 "[ . 1 . 2]" 1
499 1 52 ALA MB 1 65 TRP HE1 . . 6.530 3.911 2.769 4.772 . 0 0 "[ . 1 . 2]" 1
500 1 52 ALA MB 1 65 TRP HE3 . . 6.120 4.330 3.384 5.488 . 0 0 "[ . 1 . 2]" 1
501 1 52 ALA MB 1 65 TRP HZ2 . . 6.120 5.015 3.748 6.160 0.040 17 0 "[ . 1 . 2]" 1
502 1 53 HIS H 1 53 HIS HD2 . . 5.500 3.463 2.975 4.794 . 0 0 "[ . 1 . 2]" 1
503 1 53 HIS H 1 54 ASN H . . 5.280 4.313 4.147 4.434 . 0 0 "[ . 1 . 2]" 1
504 1 53 HIS HA 1 53 HIS HE1 . . 4.850 4.944 4.748 5.034 0.184 14 0 "[ . 1 . 2]" 1
505 1 53 HIS HA 1 54 ASN H . . 3.550 2.168 2.108 2.242 . 0 0 "[ . 1 . 2]" 1
506 1 53 HIS QB 1 63 VAL H . . 6.380 4.383 3.355 5.695 . 0 0 "[ . 1 . 2]" 1
507 1 53 HIS HB2 1 54 ASN H . . 4.410 4.262 4.025 4.501 0.091 8 0 "[ . 1 . 2]" 1
508 1 53 HIS HB3 1 54 ASN H . . 4.410 3.353 2.901 3.848 . 0 0 "[ . 1 . 2]" 1
509 1 54 ASN H 1 63 VAL H . . 4.940 3.491 2.814 4.731 . 0 0 "[ . 1 . 2]" 1
510 1 54 ASN H 1 63 VAL MG1 . . 4.820 3.754 2.983 4.837 0.017 20 0 "[ . 1 . 2]" 1
511 1 54 ASN H 1 65 TRP H . . 4.010 3.778 3.130 4.163 0.153 12 0 "[ . 1 . 2]" 1
512 1 54 ASN HA 1 55 GLN H . . 2.960 2.175 2.137 2.214 . 0 0 "[ . 1 . 2]" 1
513 1 54 ASN HA 1 63 VAL MG1 . . 5.600 4.852 4.246 5.621 0.021 20 0 "[ . 1 . 2]" 1
514 1 54 ASN QB 1 63 VAL MG1 . . 4.500 2.431 1.782 3.930 . 0 0 "[ . 1 . 2]" 1
515 1 54 ASN QB 1 63 VAL MG2 . . 6.010 3.944 1.989 4.746 . 0 0 "[ . 1 . 2]" 1
516 1 54 ASN HB2 1 63 VAL MG1 . . 4.880 3.545 1.797 4.999 0.119 12 0 "[ . 1 . 2]" 1
517 1 54 ASN HB3 1 63 VAL MG1 . . 4.880 2.592 1.881 4.111 . 0 0 "[ . 1 . 2]" 1
518 1 55 GLN H 1 55 GLN HB2 . . 3.860 2.992 2.317 3.873 0.013 7 0 "[ . 1 . 2]" 1
519 1 55 GLN H 1 55 GLN HB3 . . 3.860 3.176 2.580 3.839 . 0 0 "[ . 1 . 2]" 1
520 1 55 GLN H 1 55 GLN HG2 . . 5.500 3.897 2.048 4.489 . 0 0 "[ . 1 . 2]" 1
521 1 55 GLN H 1 55 GLN HG3 . . 5.500 3.935 2.016 4.785 . 0 0 "[ . 1 . 2]" 1
522 1 55 GLN H 1 56 CYS H . . 5.500 4.325 4.105 4.487 . 0 0 "[ . 1 . 2]" 1
523 1 55 GLN H 1 63 VAL MG1 . . 6.400 5.504 4.763 6.434 0.034 18 0 "[ . 1 . 2]" 1
524 1 55 GLN HA 1 62 SER HA . . 4.540 2.450 1.931 3.891 . 0 0 "[ . 1 . 2]" 1
525 1 55 GLN HA 1 62 SER QB . . 6.380 3.639 2.702 5.470 . 0 0 "[ . 1 . 2]" 1
526 1 55 GLN HA 1 63 VAL H . . 4.570 3.533 2.604 4.740 0.170 12 0 "[ . 1 . 2]" 1
527 1 55 GLN QB 1 56 CYS H . . 4.480 3.404 2.783 3.830 . 0 0 "[ . 1 . 2]" 1
528 1 55 GLN HB2 1 56 CYS H . . 4.790 4.052 3.012 4.502 . 0 0 "[ . 1 . 2]" 1
529 1 55 GLN HB3 1 56 CYS H . . 4.790 3.792 2.866 4.374 . 0 0 "[ . 1 . 2]" 1
530 1 55 GLN QG 1 56 CYS H . . 5.700 3.565 2.122 4.702 . 0 0 "[ . 1 . 2]" 1
531 1 56 CYS H 1 56 CYS HB2 . . 4.010 3.058 2.434 3.722 . 0 0 "[ . 1 . 2]" 1
532 1 56 CYS H 1 56 CYS QB . . 3.820 2.589 2.329 2.980 . 0 0 "[ . 1 . 2]" 1
533 1 56 CYS H 1 56 CYS HB3 . . 4.010 3.096 2.518 3.728 . 0 0 "[ . 1 . 2]" 1
534 1 56 CYS H 1 57 LYS H . . 5.500 4.309 3.851 4.588 . 0 0 "[ . 1 . 2]" 1
535 1 56 CYS H 1 61 ALA H . . 4.200 3.649 2.792 4.266 0.066 6 0 "[ . 1 . 2]" 1
536 1 56 CYS H 1 62 SER HA . . 4.170 3.516 3.062 4.126 . 0 0 "[ . 1 . 2]" 1
537 1 56 CYS H 1 62 SER QB . . 6.380 4.838 4.001 5.681 . 0 0 "[ . 1 . 2]" 1
538 1 56 CYS H 1 72 ILE MG . . 6.530 5.185 3.278 6.590 0.060 7 0 "[ . 1 . 2]" 1
539 1 56 CYS HA 1 57 LYS H . . 2.870 2.181 2.107 2.403 . 0 0 "[ . 1 . 2]" 1
540 1 56 CYS QB 1 57 LYS H . . 5.540 3.404 2.399 4.002 . 0 0 "[ . 1 . 2]" 1
541 1 56 CYS QB 1 61 ALA H . . 5.200 3.467 2.278 4.507 . 0 0 "[ . 1 . 2]" 1
542 1 56 CYS QB 1 72 ILE MG . . 7.130 4.331 1.899 6.589 . 0 0 "[ . 1 . 2]" 1
543 1 56 CYS HB2 1 61 ALA H . . 5.500 4.005 2.489 4.835 . 0 0 "[ . 1 . 2]" 1
544 1 56 CYS HB3 1 61 ALA H . . 5.500 4.304 2.290 5.400 . 0 0 "[ . 1 . 2]" 1
545 1 57 LYS H 1 57 LYS HB2 . . 3.980 2.699 2.013 3.621 . 0 0 "[ . 1 . 2]" 1
546 1 57 LYS H 1 57 LYS QB . . 3.770 2.377 1.994 2.912 . 0 0 "[ . 1 . 2]" 1
547 1 57 LYS H 1 57 LYS HB3 . . 3.980 2.931 2.436 3.646 . 0 0 "[ . 1 . 2]" 1
548 1 57 LYS H 1 57 LYS HG2 . . 5.500 3.711 1.789 4.637 . 0 0 "[ . 1 . 2]" 1
549 1 57 LYS H 1 57 LYS QG . . 4.870 3.115 1.749 4.022 . 0 0 "[ . 1 . 2]" 1
550 1 57 LYS H 1 57 LYS HG3 . . 5.500 3.650 1.755 4.495 . 0 0 "[ . 1 . 2]" 1
551 1 57 LYS H 1 58 LEU H . . 3.300 2.862 2.422 3.857 0.557 10 2 "[ .- + . 2]" 1
552 1 57 LYS H 1 58 LEU MD1 . . 5.230 4.668 3.218 5.388 0.158 7 0 "[ . 1 . 2]" 1
553 1 57 LYS QB 1 58 LEU H . . 4.360 3.232 1.746 3.918 . 0 0 "[ . 1 . 2]" 1
554 1 57 LYS QB 1 58 LEU MD1 . . 5.330 3.705 1.995 5.801 0.471 18 0 "[ . 1 . 2]" 1
555 1 57 LYS HB2 1 58 LEU H . . 4.510 3.873 2.374 4.539 0.029 5 0 "[ . 1 . 2]" 1
556 1 57 LYS HB3 1 58 LEU H . . 4.510 3.678 1.753 4.554 0.044 17 0 "[ . 1 . 2]" 1
557 1 57 LYS QE 1 58 LEU MD1 . . 6.570 4.965 2.284 6.661 0.091 12 0 "[ . 1 . 2]" 1
558 1 57 LYS QG 1 58 LEU H . . 6.380 3.832 1.839 4.792 . 0 0 "[ . 1 . 2]" 1
559 1 57 LYS QG 1 58 LEU MD1 . . 6.690 4.117 1.892 6.528 . 0 0 "[ . 1 . 2]" 1
560 1 58 LEU H 1 58 LEU HB2 . . 3.920 2.640 2.198 3.849 . 0 0 "[ . 1 . 2]" 1
561 1 58 LEU H 1 58 LEU QB . . 3.740 2.485 2.145 3.338 . 0 0 "[ . 1 . 2]" 1
562 1 58 LEU H 1 58 LEU HB3 . . 3.920 3.240 2.690 4.112 0.192 6 0 "[ . 1 . 2]" 1
563 1 58 LEU H 1 58 LEU MD1 . . 4.850 3.136 1.742 4.131 . 0 0 "[ . 1 . 2]" 1
564 1 58 LEU H 1 58 LEU HG . . 5.500 4.199 2.642 4.810 . 0 0 "[ . 1 . 2]" 1
565 1 58 LEU H 1 59 CYS H . . 3.210 2.609 1.780 3.703 0.493 10 0 "[ . 1 . 2]" 1
566 1 58 LEU H 1 60 GLY H . . 3.950 3.693 3.014 4.095 0.145 20 0 "[ . 1 . 2]" 1
567 1 58 LEU HA 1 58 LEU MD1 . . 4.610 2.457 1.782 3.669 . 0 0 "[ . 1 . 2]" 1
568 1 58 LEU QB 1 59 CYS H . . 3.520 3.046 2.098 3.904 0.384 16 0 "[ . 1 . 2]" 1
569 1 58 LEU HB2 1 59 CYS H . . 3.760 3.730 2.677 4.378 0.618 6 3 "[ -+ 1 .* 2]" 1
570 1 58 LEU HB3 1 59 CYS H . . 3.760 3.393 2.122 4.454 0.694 16 2 "[ . 1 .+- 2]" 1
571 1 58 LEU MD1 1 59 CYS H . . 5.810 4.410 3.300 4.713 . 0 0 "[ . 1 . 2]" 1
572 1 58 LEU MD1 1 79 PRO QB . . 7.410 5.282 3.181 6.287 . 0 0 "[ . 1 . 2]" 1
573 1 58 LEU MD1 1 79 PRO QG . . 6.660 4.289 2.812 5.846 . 0 0 "[ . 1 . 2]" 1
574 1 58 LEU MD1 2 36 ALA HA . . 4.570 3.983 2.111 4.672 0.102 20 0 "[ . 1 . 2]" 1
575 1 58 LEU MD1 2 36 ALA MB . . 6.560 2.592 1.815 3.859 . 0 0 "[ . 1 . 2]" 1
576 1 58 LEU MD2 1 59 CYS H . . 6.500 4.801 2.896 5.546 . 0 0 "[ . 1 . 2]" 1
577 1 58 LEU MD2 1 79 PRO HA . . 6.530 5.332 4.366 6.552 0.022 7 0 "[ . 1 . 2]" 1
578 1 58 LEU MD2 1 79 PRO QB . . 5.450 3.760 2.171 5.257 . 0 0 "[ . 1 . 2]" 1
579 1 58 LEU MD2 1 80 VAL H . . 4.610 3.580 2.519 4.677 0.067 20 0 "[ . 1 . 2]" 1
580 1 58 LEU MD2 1 80 VAL QG . . 7.660 2.285 1.766 4.269 . 0 0 "[ . 1 . 2]" 1
581 1 59 CYS H 1 60 GLY H . . 3.330 2.037 1.727 2.684 . 0 0 "[ . 1 . 2]" 1
582 1 59 CYS H 1 60 GLY QA . . 5.290 3.881 3.348 4.567 . 0 0 "[ . 1 . 2]" 1
583 1 59 CYS H 1 61 ALA H . . 4.110 3.911 3.499 4.247 0.137 20 0 "[ . 1 . 2]" 1
584 1 59 CYS HA 1 75 ALA MB . . 4.980 3.731 1.842 5.025 0.045 1 0 "[ . 1 . 2]" 1
585 1 59 CYS QB 1 60 GLY H . . 4.950 3.161 2.554 3.847 . 0 0 "[ . 1 . 2]" 1
586 1 59 CYS QB 1 75 ALA H . . 6.380 3.674 2.415 6.117 . 0 0 "[ . 1 . 2]" 1
587 1 59 CYS HB2 1 75 ALA MB . . 5.010 3.727 2.170 5.137 0.127 11 0 "[ . 1 . 2]" 1
588 1 59 CYS HB3 1 75 ALA MB . . 5.010 3.779 2.277 5.044 0.034 17 0 "[ . 1 . 2]" 1
589 1 60 GLY H 1 61 ALA H . . 3.450 2.477 2.113 2.841 . 0 0 "[ . 1 . 2]" 1
590 1 61 ALA H 1 62 SER H . . 4.910 4.446 4.151 4.603 . 0 0 "[ . 1 . 2]" 1
591 1 61 ALA H 1 72 ILE MG . . 5.850 5.274 3.912 5.945 0.095 5 0 "[ . 1 . 2]" 1
592 1 61 ALA HA 1 62 SER H . . 2.590 2.222 2.155 2.376 . 0 0 "[ . 1 . 2]" 1
593 1 61 ALA HA 1 72 ILE MG . . 5.970 4.855 2.774 5.964 . 0 0 "[ . 1 . 2]" 1
594 1 61 ALA MB 1 62 SER H . . 3.860 2.855 2.433 3.054 . 0 0 "[ . 1 . 2]" 1
595 1 61 ALA MB 1 72 ILE MG . . 6.100 2.733 1.792 3.432 . 0 0 "[ . 1 . 2]" 1
596 1 61 ALA MB 1 74 HIS HA . . 4.670 4.064 3.238 4.714 0.044 5 0 "[ . 1 . 2]" 1
597 1 62 SER H 1 62 SER HB2 . . 3.980 3.198 2.520 3.949 . 0 0 "[ . 1 . 2]" 1
598 1 62 SER H 1 62 SER HB3 . . 3.980 3.378 2.597 3.934 . 0 0 "[ . 1 . 2]" 1
599 1 62 SER H 1 63 VAL H . . 4.970 4.383 4.135 4.538 . 0 0 "[ . 1 . 2]" 1
600 1 62 SER H 1 72 ILE MG . . 5.630 4.685 1.778 5.678 0.048 9 0 "[ . 1 . 2]" 1
601 1 62 SER HA 1 63 VAL H . . 3.450 2.226 2.107 2.673 . 0 0 "[ . 1 . 2]" 1
602 1 62 SER HA 1 72 ILE MD . . 4.850 4.211 1.928 4.937 0.087 10 0 "[ . 1 . 2]" 1
603 1 62 SER HA 1 72 ILE MG . . 6.530 5.016 3.335 6.407 . 0 0 "[ . 1 . 2]" 1
604 1 62 SER QB 1 63 VAL H . . 4.010 2.976 1.961 3.736 . 0 0 "[ . 1 . 2]" 1
605 1 62 SER QB 1 72 ILE MD . . 6.240 4.768 3.653 5.697 . 0 0 "[ . 1 . 2]" 1
606 1 62 SER HB2 1 63 VAL H . . 4.230 3.509 2.436 4.256 0.026 16 0 "[ . 1 . 2]" 1
607 1 62 SER HB2 1 72 ILE MD . . 6.530 5.319 3.905 6.548 0.018 2 0 "[ . 1 . 2]" 1
608 1 62 SER HB3 1 63 VAL H . . 4.230 3.548 1.990 4.158 . 0 0 "[ . 1 . 2]" 1
609 1 62 SER HB3 1 72 ILE MD . . 6.530 5.482 4.125 6.541 0.011 19 0 "[ . 1 . 2]" 1
610 1 63 VAL H 1 63 VAL HB . . 4.010 3.010 2.500 3.357 . 0 0 "[ . 1 . 2]" 1
611 1 63 VAL H 1 63 VAL MG1 . . 4.420 2.773 1.792 3.877 . 0 0 "[ . 1 . 2]" 1
612 1 63 VAL H 1 72 ILE MD . . 6.530 4.394 2.282 6.136 . 0 0 "[ . 1 . 2]" 1
613 1 63 VAL MG1 1 67 GLN H . . 5.720 4.321 3.277 4.939 . 0 0 "[ . 1 . 2]" 1
614 1 63 VAL MG1 1 67 GLN QB . . 5.210 3.512 2.190 4.654 . 0 0 "[ . 1 . 2]" 1
615 1 63 VAL MG1 1 67 GLN QE . . 6.750 4.399 3.109 5.861 . 0 0 "[ . 1 . 2]" 1
616 1 63 VAL MG1 1 67 GLN QG . . 6.970 4.555 2.525 5.698 . 0 0 "[ . 1 . 2]" 1
617 1 63 VAL MG1 1 69 GLY HA2 . . 4.670 2.978 1.750 4.738 0.068 18 0 "[ . 1 . 2]" 1
618 1 63 VAL MG1 1 69 GLY HA3 . . 4.670 3.525 2.142 4.763 0.093 1 0 "[ . 1 . 2]" 1
619 1 63 VAL MG2 1 67 GLN QE . . 7.370 3.889 1.833 6.915 . 0 0 "[ . 1 . 2]" 1
620 1 64 PRO QB 1 65 TRP H . . 4.120 3.203 2.314 3.803 . 0 0 "[ . 1 . 2]" 1
621 1 64 PRO HB2 1 65 TRP H . . 4.480 3.631 2.337 4.091 . 0 0 "[ . 1 . 2]" 1
622 1 64 PRO HB3 1 65 TRP H . . 4.480 3.719 3.172 4.519 0.039 12 0 "[ . 1 . 2]" 1
623 1 65 TRP H 1 65 TRP HB2 . . 3.890 3.328 2.364 3.877 . 0 0 "[ . 1 . 2]" 1
624 1 65 TRP H 1 65 TRP QB . . 3.720 2.484 2.186 3.115 . 0 0 "[ . 1 . 2]" 1
625 1 65 TRP H 1 65 TRP HB3 . . 3.890 2.628 2.280 3.546 . 0 0 "[ . 1 . 2]" 1
626 1 65 TRP H 1 65 TRP HD1 . . 5.500 3.735 1.779 5.682 0.182 18 0 "[ . 1 . 2]" 1
627 1 65 TRP H 1 66 LEU H . . 4.660 3.402 2.629 4.619 . 0 0 "[ . 1 . 2]" 1
628 1 65 TRP HA 1 65 TRP HE3 . . 5.500 3.556 1.781 4.771 . 0 0 "[ . 1 . 2]" 1
629 1 65 TRP HA 1 66 LEU H . . 3.490 3.084 2.110 3.541 0.051 15 0 "[ . 1 . 2]" 1
630 1 65 TRP QB 1 66 LEU H . . 4.040 3.289 1.971 3.777 . 0 0 "[ . 1 . 2]" 1
631 1 65 TRP HB2 1 66 LEU H . . 4.200 3.875 2.447 4.258 0.058 5 0 "[ . 1 . 2]" 1
632 1 65 TRP HB3 1 66 LEU H . . 4.200 3.740 1.981 4.307 0.107 6 0 "[ . 1 . 2]" 1
633 1 65 TRP HD1 1 66 LEU MD1 . . 6.530 4.645 2.285 5.954 . 0 0 "[ . 1 . 2]" 1
634 1 65 TRP HD1 1 66 LEU QD . . 5.960 3.970 2.272 5.468 . 0 0 "[ . 1 . 2]" 1
635 1 65 TRP HD1 1 66 LEU MD2 . . 6.530 4.730 2.365 6.424 . 0 0 "[ . 1 . 2]" 1
636 1 65 TRP HE1 1 66 LEU QB . . 6.380 4.559 3.331 6.367 . 0 0 "[ . 1 . 2]" 1
637 1 65 TRP HE1 1 66 LEU MD1 . . 6.060 4.166 2.694 5.592 . 0 0 "[ . 1 . 2]" 1
638 1 65 TRP HE1 1 66 LEU QD . . 5.350 3.490 2.614 4.771 . 0 0 "[ . 1 . 2]" 1
639 1 65 TRP HE1 1 66 LEU MD2 . . 6.060 4.141 2.965 6.113 0.053 3 0 "[ . 1 . 2]" 1
640 1 65 TRP HZ2 1 66 LEU MD1 . . 6.530 4.488 2.932 6.581 0.051 11 0 "[ . 1 . 2]" 1
641 1 65 TRP HZ2 1 66 LEU QD . . 5.830 3.668 2.817 5.847 0.017 11 0 "[ . 1 . 2]" 1
642 1 65 TRP HZ2 1 66 LEU MD2 . . 6.530 4.274 2.915 6.568 0.038 10 0 "[ . 1 . 2]" 1
643 1 66 LEU H 1 66 LEU QB . . 3.920 2.600 2.100 3.390 . 0 0 "[ . 1 . 2]" 1
644 1 66 LEU H 1 66 LEU MD1 . . 5.720 3.874 1.935 4.824 . 0 0 "[ . 1 . 2]" 1
645 1 66 LEU H 1 66 LEU MD2 . . 5.720 3.753 2.574 4.704 . 0 0 "[ . 1 . 2]" 1
646 1 66 LEU H 1 66 LEU HG . . 5.500 3.802 2.312 5.229 . 0 0 "[ . 1 . 2]" 1
647 1 66 LEU H 1 67 GLN H . . 3.890 2.925 2.380 3.937 0.047 15 0 "[ . 1 . 2]" 1
648 1 66 LEU HA 1 66 LEU MD1 . . 4.700 3.000 1.815 3.858 . 0 0 "[ . 1 . 2]" 1
649 1 66 LEU HA 1 66 LEU QD . . 4.080 2.075 1.794 3.090 . 0 0 "[ . 1 . 2]" 1
650 1 66 LEU HA 1 66 LEU MD2 . . 4.700 2.703 1.829 3.849 . 0 0 "[ . 1 . 2]" 1
651 1 66 LEU QB 1 67 GLN H . . 4.490 3.307 2.136 4.026 . 0 0 "[ . 1 . 2]" 1
652 1 66 LEU HB2 1 67 GLN H . . 4.630 3.884 2.943 4.604 . 0 0 "[ . 1 . 2]" 1
653 1 66 LEU HB3 1 67 GLN H . . 4.630 3.775 2.162 4.443 . 0 0 "[ . 1 . 2]" 1
654 1 66 LEU QD 1 67 GLN H . . 5.840 4.010 3.123 4.400 . 0 0 "[ . 1 . 2]" 1
655 1 66 LEU MD1 1 67 GLN H . . 6.190 4.673 3.473 5.624 . 0 0 "[ . 1 . 2]" 1
656 1 66 LEU MD2 1 67 GLN H . . 6.190 4.699 3.165 5.598 . 0 0 "[ . 1 . 2]" 1
657 1 66 LEU HG 1 67 GLN H . . 5.500 4.874 4.297 5.566 0.066 17 0 "[ . 1 . 2]" 1
658 1 67 GLN H 1 67 GLN HB2 . . 4.110 2.777 2.321 3.482 . 0 0 "[ . 1 . 2]" 1
659 1 67 GLN H 1 67 GLN HB3 . . 4.110 2.996 2.438 4.097 . 0 0 "[ . 1 . 2]" 1
660 1 67 GLN H 1 67 GLN HG2 . . 5.500 4.405 2.911 5.269 . 0 0 "[ . 1 . 2]" 1
661 1 67 GLN H 1 67 GLN HG3 . . 5.500 4.410 2.652 4.980 . 0 0 "[ . 1 . 2]" 1
662 1 67 GLN QB 1 68 THR H . . 4.370 2.709 1.784 4.016 . 0 0 "[ . 1 . 2]" 1
663 1 67 GLN HB2 1 67 GLN HE22 . . 5.500 4.292 3.562 5.143 . 0 0 "[ . 1 . 2]" 1
664 1 67 GLN HB2 1 68 THR H . . 4.880 3.653 1.961 4.539 . 0 0 "[ . 1 . 2]" 1
665 1 67 GLN HB3 1 67 GLN HE22 . . 5.500 4.161 3.289 5.355 . 0 0 "[ . 1 . 2]" 1
666 1 67 GLN HB3 1 68 THR H . . 4.880 2.886 1.792 4.478 . 0 0 "[ . 1 . 2]" 1
667 1 67 GLN HG2 1 68 THR H . . 5.500 3.548 1.775 5.287 . 0 0 "[ . 1 . 2]" 1
668 1 67 GLN HG3 1 68 THR H . . 5.500 3.727 2.341 5.165 . 0 0 "[ . 1 . 2]" 1
669 1 68 THR H 1 68 THR HB . . 3.890 2.981 2.545 3.772 . 0 0 "[ . 1 . 2]" 1
670 1 68 THR H 1 68 THR MG . . 4.510 3.208 1.964 4.066 . 0 0 "[ . 1 . 2]" 1
671 1 68 THR H 1 69 GLY H . . 5.500 2.858 1.983 4.509 . 0 0 "[ . 1 . 2]" 1
672 1 68 THR HB 1 69 GLY H . . 4.290 3.336 2.258 4.421 0.131 12 0 "[ . 1 . 2]" 1
673 1 68 THR MG 1 69 GLY H . . 6.530 3.170 1.656 3.980 . 0 0 "[ . 1 . 2]" 1
674 1 68 THR MG 1 71 GLU HG2 . . 5.440 4.122 1.948 5.491 0.051 7 0 "[ . 1 . 2]" 1
675 1 68 THR MG 1 71 GLU QG . . 5.310 3.636 1.800 4.866 . 0 0 "[ . 1 . 2]" 1
676 1 68 THR MG 1 71 GLU HG3 . . 5.440 4.194 2.118 5.525 0.085 10 0 "[ . 1 . 2]" 1
677 1 70 ASP H 1 71 GLU H . . 4.410 2.843 1.759 4.185 . 0 0 "[ . 1 . 2]" 1
678 1 70 ASP HA 1 72 ILE H . . 5.030 4.343 3.186 5.154 0.124 5 0 "[ . 1 . 2]" 1
679 1 70 ASP QB 1 71 GLU H . . 4.200 2.955 1.762 3.974 . 0 0 "[ . 1 . 2]" 1
680 1 70 ASP HB2 1 71 GLU H . . 4.350 3.871 1.989 4.484 0.134 18 0 "[ . 1 . 2]" 1
681 1 70 ASP HB3 1 71 GLU H . . 4.350 3.192 1.770 4.437 0.087 18 0 "[ . 1 . 2]" 1
682 1 71 GLU H 1 71 GLU HB2 . . 3.670 2.897 2.298 3.631 . 0 0 "[ . 1 . 2]" 1
683 1 71 GLU H 1 71 GLU QB . . 3.490 2.649 2.241 3.273 . 0 0 "[ . 1 . 2]" 1
684 1 71 GLU H 1 71 GLU HB3 . . 3.670 3.390 2.497 3.956 0.286 10 0 "[ . 1 . 2]" 1
685 1 71 GLU H 1 71 GLU HG2 . . 5.500 3.379 1.755 4.814 . 0 0 "[ . 1 . 2]" 1
686 1 71 GLU H 1 71 GLU HG3 . . 5.500 3.715 2.626 5.097 . 0 0 "[ . 1 . 2]" 1
687 1 71 GLU H 1 72 ILE H . . 4.110 3.115 1.949 4.190 0.080 8 0 "[ . 1 . 2]" 1
688 1 71 GLU HA 1 72 ILE H . . 3.640 2.774 2.109 3.552 . 0 0 "[ . 1 . 2]" 1
689 1 72 ILE H 1 72 ILE HB . . 3.860 2.988 2.400 3.789 . 0 0 "[ . 1 . 2]" 1
690 1 72 ILE H 1 72 ILE MD . . 5.410 4.198 3.409 4.951 . 0 0 "[ . 1 . 2]" 1
691 1 72 ILE HA 1 73 LYS H . . 3.170 2.374 2.133 3.244 0.074 9 0 "[ . 1 . 2]" 1
692 1 72 ILE HB 1 73 LYS H . . 4.850 3.981 2.942 4.436 . 0 0 "[ . 1 . 2]" 1
693 1 72 ILE QG 1 73 LYS H . . 6.010 3.155 1.743 4.864 . 0 0 "[ . 1 . 2]" 1
694 1 72 ILE MG 1 73 LYS H . . 4.790 3.386 2.391 3.907 . 0 0 "[ . 1 . 2]" 1
695 1 72 ILE MG 1 73 LYS HA . . 6.060 4.436 3.806 5.554 . 0 0 "[ . 1 . 2]" 1
696 1 73 LYS H 1 73 LYS HB2 . . 3.890 2.549 2.048 3.208 . 0 0 "[ . 1 . 2]" 1
697 1 73 LYS H 1 73 LYS QB . . 3.660 2.434 2.027 3.012 . 0 0 "[ . 1 . 2]" 1
698 1 73 LYS H 1 73 LYS HB3 . . 3.890 3.332 2.582 3.803 . 0 0 "[ . 1 . 2]" 1
699 1 73 LYS H 1 73 LYS HG2 . . 5.500 3.586 2.237 5.296 . 0 0 "[ . 1 . 2]" 1
700 1 73 LYS H 1 73 LYS HG3 . . 5.500 3.978 2.421 4.933 . 0 0 "[ . 1 . 2]" 1
701 1 73 LYS H 1 74 HIS H . . 4.690 4.417 3.824 4.664 . 0 0 "[ . 1 . 2]" 1
702 1 73 LYS HA 1 73 LYS HD2 . . 5.500 3.167 1.791 4.735 . 0 0 "[ . 1 . 2]" 1
703 1 73 LYS HA 1 73 LYS HD3 . . 5.500 3.082 1.752 4.780 . 0 0 "[ . 1 . 2]" 1
704 1 73 LYS HA 1 74 HIS H . . 3.050 2.213 2.071 2.713 . 0 0 "[ . 1 . 2]" 1
705 1 73 LYS QB 1 74 HIS H . . 4.280 3.272 1.811 3.951 . 0 0 "[ . 1 . 2]" 1
706 1 73 LYS HB2 1 74 HIS H . . 4.510 4.177 3.070 4.517 0.007 2 0 "[ . 1 . 2]" 1
707 1 73 LYS HB3 1 74 HIS H . . 4.510 3.467 1.824 4.362 . 0 0 "[ . 1 . 2]" 1
708 1 73 LYS HD2 1 74 HIS H . . 5.500 4.093 2.693 5.542 0.042 16 0 "[ . 1 . 2]" 1
709 1 73 LYS HD3 1 74 HIS H . . 5.500 4.343 1.865 5.537 0.037 7 0 "[ . 1 . 2]" 1
710 1 73 LYS QG 1 74 HIS H . . 6.380 3.715 2.199 4.810 . 0 0 "[ . 1 . 2]" 1
711 1 74 HIS H 1 74 HIS HB2 . . 3.830 2.972 2.143 3.915 0.085 1 0 "[ . 1 . 2]" 1
712 1 74 HIS H 1 74 HIS HB3 . . 3.830 3.285 2.504 3.853 0.023 9 0 "[ . 1 . 2]" 1
713 1 74 HIS H 1 74 HIS HD2 . . 5.500 4.272 2.387 5.514 0.014 17 0 "[ . 1 . 2]" 1
714 1 74 HIS H 1 75 ALA H . . 4.540 4.104 2.084 4.597 0.057 14 0 "[ . 1 . 2]" 1
715 1 74 HIS HA 1 75 ALA H . . 3.240 2.501 2.103 3.302 0.062 2 0 "[ . 1 . 2]" 1
716 1 74 HIS HA 1 75 ALA MB . . 5.350 4.106 3.930 4.512 . 0 0 "[ . 1 . 2]" 1
717 1 74 HIS QB 1 75 ALA H . . 4.590 2.715 1.982 3.653 . 0 0 "[ . 1 . 2]" 1
718 1 74 HIS QB 1 81 VAL QG . . 7.230 3.497 2.012 5.931 . 0 0 "[ . 1 . 2]" 1
719 1 74 HIS HB2 1 75 ALA H . . 4.880 3.474 1.993 4.281 . 0 0 "[ . 1 . 2]" 1
720 1 74 HIS HB3 1 75 ALA H . . 4.880 3.187 1.996 4.310 . 0 0 "[ . 1 . 2]" 1
721 1 75 ALA H 1 76 ASP H . . 4.510 4.398 3.887 4.597 0.087 11 0 "[ . 1 . 2]" 1
722 1 75 ALA H 1 78 CYS H . . 5.500 4.800 3.928 5.640 0.140 12 0 "[ . 1 . 2]" 1
723 1 75 ALA H 1 78 CYS QB . . 5.480 3.961 1.869 4.945 . 0 0 "[ . 1 . 2]" 1
724 1 75 ALA H 1 81 VAL QG . . 8.090 4.464 1.819 6.032 . 0 0 "[ . 1 . 2]" 1
725 1 75 ALA HA 1 76 ASP H . . 2.930 2.239 2.119 2.467 . 0 0 "[ . 1 . 2]" 1
726 1 75 ALA HA 1 77 ASP H . . 4.230 3.832 3.363 4.395 0.165 20 0 "[ . 1 . 2]" 1
727 1 75 ALA MB 1 77 ASP H . . 5.040 2.807 2.346 3.510 . 0 0 "[ . 1 . 2]" 1
728 1 75 ALA MB 1 78 CYS H . . 5.130 2.987 2.503 3.454 . 0 0 "[ . 1 . 2]" 1
729 1 75 ALA MB 1 78 CYS QB . . 6.730 2.780 1.771 3.758 . 0 0 "[ . 1 . 2]" 1
730 1 76 ASP H 1 76 ASP HB2 . . 3.450 2.524 2.293 3.554 0.104 7 0 "[ . 1 . 2]" 1
731 1 76 ASP H 1 76 ASP QB . . 3.240 2.368 2.205 2.672 . 0 0 "[ . 1 . 2]" 1
732 1 76 ASP H 1 76 ASP HB3 . . 3.450 3.159 2.371 3.583 0.133 4 0 "[ . 1 . 2]" 1
733 1 76 ASP H 1 77 ASP H . . 3.670 2.487 2.040 2.735 . 0 0 "[ . 1 . 2]" 1
734 1 76 ASP H 1 78 CYS H . . 4.320 4.109 3.512 4.363 0.043 19 0 "[ . 1 . 2]" 1
735 1 76 ASP HA 1 77 ASP H . . 3.490 3.407 3.286 3.511 0.021 11 0 "[ . 1 . 2]" 1
736 1 76 ASP HA 1 78 CYS H . . 4.070 3.782 3.336 4.094 0.024 2 0 "[ . 1 . 2]" 1
737 1 76 ASP HA 1 81 VAL MG1 . . 5.940 3.561 1.852 5.483 . 0 0 "[ . 1 . 2]" 1
738 1 76 ASP HA 1 81 VAL QG . . 5.280 2.645 1.766 4.540 . 0 0 "[ . 1 . 2]" 1
739 1 76 ASP HA 1 81 VAL MG2 . . 5.940 3.107 1.777 4.844 . 0 0 "[ . 1 . 2]" 1
740 1 76 ASP HB2 1 77 ASP H . . 4.070 3.527 2.938 4.082 0.012 17 0 "[ . 1 . 2]" 1
741 1 76 ASP HB3 1 77 ASP H . . 4.070 3.644 2.594 4.196 0.126 7 0 "[ . 1 . 2]" 1
742 1 77 ASP H 1 77 ASP HB2 . . 3.800 2.691 2.341 3.691 . 0 0 "[ . 1 . 2]" 1
743 1 77 ASP H 1 77 ASP HB3 . . 3.800 2.646 2.378 3.614 . 0 0 "[ . 1 . 2]" 1
744 1 77 ASP H 1 78 CYS H . . 3.270 2.440 2.188 2.696 . 0 0 "[ . 1 . 2]" 1
745 1 77 ASP H 1 81 VAL QG . . 7.410 4.570 4.175 5.160 . 0 0 "[ . 1 . 2]" 1
746 1 77 ASP HA 1 81 VAL QG . . 7.990 4.799 3.713 6.037 . 0 0 "[ . 1 . 2]" 1
747 1 77 ASP QB 1 78 CYS H . . 3.850 3.231 2.673 3.841 . 0 0 "[ . 1 . 2]" 1
748 1 77 ASP HB2 1 78 CYS H . . 4.260 4.129 2.769 4.383 0.123 11 0 "[ . 1 . 2]" 1
749 1 77 ASP HB3 1 78 CYS H . . 4.260 3.451 2.889 4.268 0.008 17 0 "[ . 1 . 2]" 1
750 1 78 CYS H 1 78 CYS HB2 . . 3.640 2.884 2.419 3.674 0.034 15 0 "[ . 1 . 2]" 1
751 1 78 CYS H 1 78 CYS QB . . 3.460 2.459 2.227 2.626 . 0 0 "[ . 1 . 2]" 1
752 1 78 CYS H 1 78 CYS HB3 . . 3.640 3.155 2.523 3.642 0.002 4 0 "[ . 1 . 2]" 1
753 1 78 CYS H 1 81 VAL H . . 4.910 4.855 4.572 5.013 0.103 3 0 "[ . 1 . 2]" 1
754 1 78 CYS H 1 81 VAL QG . . 6.540 3.617 3.252 4.019 . 0 0 "[ . 1 . 2]" 1
755 1 78 CYS QB 1 81 VAL H . . 5.790 3.776 2.980 4.789 . 0 0 "[ . 1 . 2]" 1
756 1 78 CYS QB 1 81 VAL QG . . 7.510 3.329 1.900 4.418 . 0 0 "[ . 1 . 2]" 1
757 1 79 PRO HA 1 82 ILE H . . 4.010 3.289 3.008 3.797 . 0 0 "[ . 1 . 2]" 1
758 1 79 PRO HA 1 82 ILE MD . . 6.190 4.779 3.813 6.208 0.018 3 0 "[ . 1 . 2]" 1
759 1 79 PRO HA 1 82 ILE MG . . 5.130 3.782 1.791 5.150 0.020 7 0 "[ . 1 . 2]" 1
760 1 79 PRO HA 1 83 ALA H . . 4.940 4.275 3.755 4.975 0.035 6 0 "[ . 1 . 2]" 1
761 1 79 PRO QB 1 82 ILE MG . . 7.410 4.100 2.628 5.277 . 0 0 "[ . 1 . 2]" 1
762 1 79 PRO QB 2 36 ALA MB . . 4.990 3.479 2.122 4.637 . 0 0 "[ . 1 . 2]" 1
763 1 79 PRO QG 2 36 ALA MB . . 5.860 2.671 1.780 4.529 . 0 0 "[ . 1 . 2]" 1
764 1 80 VAL H 1 80 VAL HB . . 3.550 2.740 2.510 3.637 0.087 12 0 "[ . 1 . 2]" 1
765 1 80 VAL H 1 80 VAL QG . . 4.080 1.973 1.821 2.168 . 0 0 "[ . 1 . 2]" 1
766 1 80 VAL H 1 81 VAL H . . 3.360 2.637 2.437 2.777 . 0 0 "[ . 1 . 2]" 1
767 1 80 VAL H 1 81 VAL QG . . 6.880 3.758 3.340 4.176 . 0 0 "[ . 1 . 2]" 1
768 1 80 VAL H 1 82 ILE H . . 5.100 4.237 3.925 4.539 . 0 0 "[ . 1 . 2]" 1
769 1 80 VAL HA 1 82 ILE H . . 4.760 4.381 3.993 4.751 . 0 0 "[ . 1 . 2]" 1
770 1 80 VAL HA 1 83 ALA H . . 4.110 3.429 2.984 3.935 . 0 0 "[ . 1 . 2]" 1
771 1 80 VAL HA 1 83 ALA MB . . 4.880 2.573 2.309 2.966 . 0 0 "[ . 1 . 2]" 1
772 1 80 VAL HB 1 81 VAL H . . 3.980 2.927 2.517 3.965 . 0 0 "[ . 1 . 2]" 1
773 1 80 VAL HB 1 81 VAL QG . . 6.410 3.418 2.831 4.425 . 0 0 "[ . 1 . 2]" 1
774 1 80 VAL QG 1 81 VAL H . . 5.430 3.157 2.302 3.392 . 0 0 "[ . 1 . 2]" 1
775 1 80 VAL QG 1 81 VAL HA . . 8.090 3.522 3.241 3.768 . 0 0 "[ . 1 . 2]" 1
776 1 80 VAL QG 1 83 ALA H . . 7.750 4.404 4.001 4.655 . 0 0 "[ . 1 . 2]" 1
777 1 80 VAL QG 1 83 ALA MB . . 9.020 3.311 2.698 3.841 . 0 0 "[ . 1 . 2]" 1
778 1 80 VAL QG 1 84 LYS H . . 7.990 3.997 3.561 4.923 . 0 0 "[ . 1 . 2]" 1
779 1 80 VAL QG 1 84 LYS QD . . 6.390 3.410 2.300 4.282 . 0 0 "[ . 1 . 2]" 1
780 1 80 VAL QG 1 84 LYS QE . . 6.390 3.482 2.096 5.820 . 0 0 "[ . 1 . 2]" 1
781 1 80 VAL QG 1 84 LYS QG . . 7.290 3.477 2.190 5.196 . 0 0 "[ . 1 . 2]" 1
782 1 80 VAL QG 2 33 ILE HA . . 7.190 5.435 4.781 6.195 . 0 0 "[ . 1 . 2]" 1
783 1 80 VAL QG 2 41 ALA MB . . 9.120 6.440 4.742 8.135 . 0 0 "[ . 1 . 2]" 1
784 1 80 VAL MG1 1 81 VAL H . . 5.970 3.685 3.475 4.066 . 0 0 "[ . 1 . 2]" 1
785 1 80 VAL MG1 1 84 LYS HD2 . . 8.310 4.019 2.347 6.572 . 0 0 "[ . 1 . 2]" 1
786 1 80 VAL MG1 1 84 LYS HD3 . . 8.310 4.643 2.333 7.430 . 0 0 "[ . 1 . 2]" 1
787 1 80 VAL MG2 1 81 VAL H . . 5.970 3.596 2.316 3.920 . 0 0 "[ . 1 . 2]" 1
788 1 80 VAL MG2 1 84 LYS HD2 . . 8.310 6.034 4.479 7.088 . 0 0 "[ . 1 . 2]" 1
789 1 80 VAL MG2 1 84 LYS HD3 . . 8.310 6.608 4.541 8.326 0.016 19 0 "[ . 1 . 2]" 1
790 1 81 VAL H 1 81 VAL HB . . 3.580 2.879 2.474 3.633 0.053 12 0 "[ . 1 . 2]" 1
791 1 81 VAL H 1 81 VAL MG1 . . 4.790 3.324 2.172 3.788 . 0 0 "[ . 1 . 2]" 1
792 1 81 VAL H 1 81 VAL MG2 . . 4.790 2.032 1.922 2.249 . 0 0 "[ . 1 . 2]" 1
793 1 81 VAL H 1 82 ILE H . . 3.210 2.630 2.448 2.843 . 0 0 "[ . 1 . 2]" 1
794 1 81 VAL H 1 83 ALA H . . 4.410 4.101 3.898 4.252 . 0 0 "[ . 1 . 2]" 1
795 1 81 VAL HA 1 84 LYS H . . 4.070 3.597 3.121 3.999 . 0 0 "[ . 1 . 2]" 1
796 1 81 VAL HA 1 84 LYS QB . . 5.020 2.977 2.036 4.003 . 0 0 "[ . 1 . 2]" 1
797 1 81 VAL HA 1 84 LYS QD . . 5.790 3.298 2.238 4.510 . 0 0 "[ . 1 . 2]" 1
798 1 81 VAL HB 1 82 ILE H . . 3.550 2.919 2.377 3.670 0.120 4 0 "[ . 1 . 2]" 1
799 1 81 VAL QG 1 82 ILE H . . 4.940 2.865 1.913 3.356 . 0 0 "[ . 1 . 2]" 1
800 1 81 VAL QG 1 85 GLN QE . . 7.000 3.311 1.799 4.853 . 0 0 "[ . 1 . 2]" 1
801 1 81 VAL QG 1 85 GLN QG . . 7.540 3.707 2.748 5.174 . 0 0 "[ . 1 . 2]" 1
802 1 81 VAL MG1 1 82 ILE H . . 5.260 3.654 3.287 4.001 . 0 0 "[ . 1 . 2]" 1
803 1 81 VAL MG1 1 85 GLN HE21 . . 8.750 3.977 1.819 7.267 . 0 0 "[ . 1 . 2]" 1
804 1 81 VAL MG1 1 85 GLN HE22 . . 8.750 4.398 2.497 6.702 . 0 0 "[ . 1 . 2]" 1
805 1 81 VAL MG1 1 85 GLN HG2 . . 9.650 5.070 3.760 6.794 . 0 0 "[ . 1 . 2]" 1
806 1 81 VAL MG1 1 85 GLN HG3 . . 9.650 4.261 2.840 7.460 . 0 0 "[ . 1 . 2]" 1
807 1 81 VAL MG2 1 82 ILE H . . 5.260 3.246 1.917 3.933 . 0 0 "[ . 1 . 2]" 1
808 1 81 VAL MG2 1 85 GLN HE21 . . 8.750 5.597 3.222 7.936 . 0 0 "[ . 1 . 2]" 1
809 1 81 VAL MG2 1 85 GLN HE22 . . 8.750 5.884 3.395 8.004 . 0 0 "[ . 1 . 2]" 1
810 1 81 VAL MG2 1 85 GLN HG2 . . 9.650 6.631 4.837 8.719 . 0 0 "[ . 1 . 2]" 1
811 1 81 VAL MG2 1 85 GLN HG3 . . 9.650 5.765 4.842 8.103 . 0 0 "[ . 1 . 2]" 1
812 1 82 ILE H 1 82 ILE HB . . 3.490 2.551 2.443 2.648 . 0 0 "[ . 1 . 2]" 1
813 1 82 ILE H 1 82 ILE MD . . 5.100 3.449 3.061 4.190 . 0 0 "[ . 1 . 2]" 1
814 1 82 ILE H 1 82 ILE HG12 . . 5.280 2.877 1.980 4.716 . 0 0 "[ . 1 . 2]" 1
815 1 82 ILE H 1 82 ILE HG13 . . 5.280 3.856 3.487 4.537 . 0 0 "[ . 1 . 2]" 1
816 1 82 ILE H 1 82 ILE MG . . 4.790 3.285 1.924 3.781 . 0 0 "[ . 1 . 2]" 1
817 1 82 ILE H 1 83 ALA H . . 3.580 2.611 2.459 2.795 . 0 0 "[ . 1 . 2]" 1
818 1 82 ILE H 1 84 LYS H . . 4.660 4.151 3.897 4.381 . 0 0 "[ . 1 . 2]" 1
819 1 82 ILE HA 1 85 GLN H . . 4.140 3.484 3.196 3.750 . 0 0 "[ . 1 . 2]" 1
820 1 82 ILE HA 1 85 GLN HB2 . . 4.380 3.010 2.327 4.504 0.124 18 0 "[ . 1 . 2]" 1
821 1 82 ILE HA 1 85 GLN HB3 . . 4.380 4.091 2.573 4.443 0.063 7 0 "[ . 1 . 2]" 1
822 1 82 ILE HA 1 85 GLN QG . . 6.380 3.406 1.853 4.936 . 0 0 "[ . 1 . 2]" 1
823 1 82 ILE HB 1 83 ALA H . . 3.730 2.902 2.271 3.899 0.169 3 0 "[ . 1 . 2]" 1
824 1 82 ILE HB 2 33 ILE MD . . 6.530 4.549 2.338 6.493 . 0 0 "[ . 1 . 2]" 1
825 1 82 ILE MD 1 83 ALA H . . 6.530 4.597 4.506 4.668 . 0 0 "[ . 1 . 2]" 1
826 1 82 ILE MD 1 85 GLN H . . 5.850 4.832 4.136 5.205 . 0 0 "[ . 1 . 2]" 1
827 1 82 ILE MD 1 85 GLN HB2 . . 5.350 3.807 2.339 5.075 . 0 0 "[ . 1 . 2]" 1
828 1 82 ILE MD 1 85 GLN QB . . 5.170 3.534 2.280 4.201 . 0 0 "[ . 1 . 2]" 1
829 1 82 ILE MD 1 85 GLN HB3 . . 5.350 4.439 2.820 5.105 . 0 0 "[ . 1 . 2]" 1
830 1 82 ILE MD 1 85 GLN HE21 . . 6.530 3.490 1.941 5.294 . 0 0 "[ . 1 . 2]" 1
831 1 82 ILE MD 1 85 GLN HE22 . . 6.530 3.126 1.979 6.595 0.065 7 0 "[ . 1 . 2]" 1
832 1 82 ILE MD 1 85 GLN QG . . 7.410 4.044 3.323 5.344 . 0 0 "[ . 1 . 2]" 1
833 1 82 ILE MD 1 86 ILE H . . 5.630 5.261 4.075 5.671 0.041 12 0 "[ . 1 . 2]" 1
834 1 82 ILE MD 2 29 ASP HA . . 5.970 5.661 4.790 6.021 0.051 4 0 "[ . 1 . 2]" 1
835 1 82 ILE QG 1 83 ALA H . . 5.850 3.865 3.492 3.992 . 0 0 "[ . 1 . 2]" 1
836 1 82 ILE MG 1 83 ALA H . . 4.300 3.009 1.937 3.637 . 0 0 "[ . 1 . 2]" 1
837 1 82 ILE MG 1 85 GLN QB . . 7.410 3.973 3.323 4.945 . 0 0 "[ . 1 . 2]" 1
838 1 83 ALA H 1 84 LYS H . . 3.730 2.757 2.521 2.869 . 0 0 "[ . 1 . 2]" 1
839 1 83 ALA HA 1 86 ILE H . . 4.510 3.443 3.196 3.921 . 0 0 "[ . 1 . 2]" 1
840 1 83 ALA HA 1 86 ILE MD . . 5.010 2.772 1.803 4.232 . 0 0 "[ . 1 . 2]" 1
841 1 83 ALA HA 1 86 ILE MG . . 4.880 4.166 3.772 4.637 . 0 0 "[ . 1 . 2]" 1
842 1 83 ALA HA 1 87 LEU H . . 4.410 4.153 3.855 4.380 . 0 0 "[ . 1 . 2]" 1
843 1 83 ALA HA 2 33 ILE MD . . 4.880 3.035 2.299 3.496 . 0 0 "[ . 1 . 2]" 1
844 1 83 ALA MB 2 33 ILE MD . . 6.840 2.817 1.844 3.836 . 0 0 "[ . 1 . 2]" 1
845 1 83 ALA MB 2 33 ILE MG . . 6.630 2.299 1.753 3.267 . 0 0 "[ . 1 . 2]" 1
846 1 84 LYS H 1 84 LYS HB2 . . 3.580 2.499 2.080 3.626 0.046 7 0 "[ . 1 . 2]" 1
847 1 84 LYS H 1 84 LYS QB . . 3.390 2.315 2.060 2.651 . 0 0 "[ . 1 . 2]" 1
848 1 84 LYS H 1 84 LYS HB3 . . 3.580 3.216 2.235 3.606 0.026 4 0 "[ . 1 . 2]" 1
849 1 84 LYS H 1 84 LYS HD2 . . 5.500 4.192 3.156 4.862 . 0 0 "[ . 1 . 2]" 1
850 1 84 LYS H 1 84 LYS QD . . 5.230 3.878 2.848 4.415 . 0 0 "[ . 1 . 2]" 1
851 1 84 LYS H 1 84 LYS HD3 . . 5.500 4.648 3.243 5.682 0.182 19 0 "[ . 1 . 2]" 1
852 1 84 LYS H 1 84 LYS HG2 . . 5.470 3.734 2.020 4.584 . 0 0 "[ . 1 . 2]" 1
853 1 84 LYS H 1 84 LYS QG . . 4.980 2.922 1.984 4.058 . 0 0 "[ . 1 . 2]" 1
854 1 84 LYS H 1 84 LYS HG3 . . 5.470 3.204 2.117 4.528 . 0 0 "[ . 1 . 2]" 1
855 1 84 LYS H 1 85 GLN H . . 3.360 2.706 2.556 2.837 . 0 0 "[ . 1 . 2]" 1
856 1 84 LYS H 2 33 ILE MG . . 5.290 5.162 4.849 5.414 0.124 7 0 "[ . 1 . 2]" 1
857 1 84 LYS HA 1 84 LYS HD2 . . 5.500 4.124 1.996 4.863 . 0 0 "[ . 1 . 2]" 1
858 1 84 LYS HA 1 84 LYS HD3 . . 5.500 4.282 2.962 5.525 0.025 6 0 "[ . 1 . 2]" 1
859 1 84 LYS HA 1 87 LEU MD2 . . 4.640 2.369 1.901 3.438 . 0 0 "[ . 1 . 2]" 1
860 1 84 LYS QB 1 85 GLN H . . 3.850 2.641 2.191 3.584 . 0 0 "[ . 1 . 2]" 1
861 1 84 LYS QB 1 87 LEU MD2 . . 5.360 3.906 3.231 4.801 . 0 0 "[ . 1 . 2]" 1
862 1 84 LYS HB2 1 85 GLN H . . 4.070 3.075 2.220 4.043 . 0 0 "[ . 1 . 2]" 1
863 1 84 LYS HB3 1 85 GLN H . . 4.070 3.241 2.568 4.129 0.059 6 0 "[ . 1 . 2]" 1
864 1 84 LYS HD2 1 85 GLN H . . 5.500 5.193 4.423 5.750 0.250 3 0 "[ . 1 . 2]" 1
865 1 84 LYS HD3 1 85 GLN H . . 5.500 5.313 4.528 5.585 0.085 9 0 "[ . 1 . 2]" 1
866 1 84 LYS HG2 1 85 GLN H . . 5.500 4.594 2.936 5.114 . 0 0 "[ . 1 . 2]" 1
867 1 84 LYS HG3 1 85 GLN H . . 5.500 4.293 2.360 5.000 . 0 0 "[ . 1 . 2]" 1
868 1 85 GLN H 1 85 GLN HB2 . . 3.390 2.477 2.232 3.542 0.152 18 0 "[ . 1 . 2]" 1
869 1 85 GLN H 1 85 GLN QB . . 3.150 2.344 2.207 2.460 . 0 0 "[ . 1 . 2]" 1
870 1 85 GLN H 1 85 GLN HB3 . . 3.390 3.330 2.393 3.566 0.176 7 0 "[ . 1 . 2]" 1
871 1 85 GLN H 1 85 GLN HG2 . . 5.500 3.533 2.305 4.465 . 0 0 "[ . 1 . 2]" 1
872 1 85 GLN H 1 85 GLN HG3 . . 5.500 2.753 2.051 4.494 . 0 0 "[ . 1 . 2]" 1
873 1 85 GLN H 1 86 ILE H . . 3.450 2.665 2.405 2.883 . 0 0 "[ . 1 . 2]" 1
874 1 85 GLN H 1 86 ILE MD . . 6.530 5.190 4.720 5.512 . 0 0 "[ . 1 . 2]" 1
875 1 85 GLN H 1 86 ILE QG . . 6.380 4.144 3.604 4.425 . 0 0 "[ . 1 . 2]" 1
876 1 85 GLN HB2 1 86 ILE H . . 4.260 2.915 2.492 4.023 . 0 0 "[ . 1 . 2]" 1
877 1 85 GLN HB3 1 86 ILE H . . 4.260 3.465 2.555 4.001 . 0 0 "[ . 1 . 2]" 1
878 1 85 GLN HG2 1 86 ILE H . . 5.500 4.681 2.594 5.185 . 0 0 "[ . 1 . 2]" 1
879 1 85 GLN HG3 1 86 ILE H . . 5.500 4.400 2.829 5.001 . 0 0 "[ . 1 . 2]" 1
880 1 86 ILE H 1 86 ILE HB . . 3.170 2.516 2.388 2.669 . 0 0 "[ . 1 . 2]" 1
881 1 86 ILE H 1 86 ILE MD . . 4.570 3.510 2.977 3.738 . 0 0 "[ . 1 . 2]" 1
882 1 86 ILE H 1 86 ILE HG12 . . 5.500 3.234 2.046 3.636 . 0 0 "[ . 1 . 2]" 1
883 1 86 ILE H 1 86 ILE HG13 . . 5.500 2.397 1.843 3.602 . 0 0 "[ . 1 . 2]" 1
884 1 86 ILE H 1 87 LEU H . . 3.860 2.688 2.583 2.837 . 0 0 "[ . 1 . 2]" 1
885 1 86 ILE H 1 88 SER H . . 4.170 3.891 3.784 4.085 . 0 0 "[ . 1 . 2]" 1
886 1 86 ILE HA 1 86 ILE MD . . 4.760 3.564 2.019 3.904 . 0 0 "[ . 1 . 2]" 1
887 1 86 ILE HA 1 88 SER H . . 4.110 4.058 3.691 4.249 0.139 2 0 "[ . 1 . 2]" 1
888 1 86 ILE HA 2 18 TYR QD . . 7.640 4.906 3.642 6.250 . 0 0 "[ . 1 . 2]" 1
889 1 86 ILE HA 2 18 TYR QE . . 7.630 4.458 2.322 7.550 . 0 0 "[ . 1 . 2]" 1
890 1 86 ILE HB 1 87 LEU H . . 3.520 2.529 2.390 2.699 . 0 0 "[ . 1 . 2]" 1
891 1 86 ILE MD 1 87 LEU H . . 6.530 4.542 4.342 4.683 . 0 0 "[ . 1 . 2]" 1
892 1 86 ILE MD 2 18 TYR QD . . 8.670 5.538 3.482 7.334 . 0 0 "[ . 1 . 2]" 1
893 1 86 ILE MD 2 18 TYR QE . . 8.660 5.577 2.970 8.696 0.036 7 0 "[ . 1 . 2]" 1
894 1 86 ILE MD 2 22 MET ME . . 7.560 4.884 3.784 6.417 . 0 0 "[ . 1 . 2]" 1
895 1 86 ILE MD 2 30 VAL HB . . 6.530 5.744 4.707 6.572 0.042 2 0 "[ . 1 . 2]" 1
896 1 86 ILE MD 2 30 VAL MG1 . . 6.630 4.543 3.669 6.239 . 0 0 "[ . 1 . 2]" 1
897 1 86 ILE MD 2 30 VAL QG . . 6.320 3.327 2.334 5.063 . 0 0 "[ . 1 . 2]" 1
898 1 86 ILE MD 2 30 VAL MG2 . . 6.630 3.437 2.360 5.355 . 0 0 "[ . 1 . 2]" 1
899 1 86 ILE MD 2 33 ILE MD . . 5.850 2.700 1.923 4.782 . 0 0 "[ . 1 . 2]" 1
900 1 86 ILE MD 2 33 ILE MG . . 7.560 3.767 2.285 6.205 . 0 0 "[ . 1 . 2]" 1
901 1 86 ILE HG12 1 87 LEU H . . 5.500 4.821 3.906 5.033 . 0 0 "[ . 1 . 2]" 1
902 1 86 ILE HG13 1 87 LEU H . . 5.500 4.334 3.922 4.857 . 0 0 "[ . 1 . 2]" 1
903 1 86 ILE MG 1 87 LEU H . . 5.160 3.327 2.992 3.598 . 0 0 "[ . 1 . 2]" 1
904 1 86 ILE MG 2 19 PHE QD . . 8.560 4.066 2.090 5.016 . 0 0 "[ . 1 . 2]" 1
905 1 86 ILE MG 2 19 PHE QE . . 8.560 2.617 1.821 3.623 . 0 0 "[ . 1 . 2]" 1
906 1 86 ILE MG 2 19 PHE HZ . . 5.350 2.829 1.763 4.286 . 0 0 "[ . 1 . 2]" 1
907 1 86 ILE MG 2 30 VAL MG1 . . 7.000 5.264 4.406 6.462 . 0 0 "[ . 1 . 2]" 1
908 1 86 ILE MG 2 30 VAL QG . . 6.740 4.152 3.437 4.965 . 0 0 "[ . 1 . 2]" 1
909 1 86 ILE MG 2 30 VAL MG2 . . 7.000 4.369 3.545 5.514 . 0 0 "[ . 1 . 2]" 1
910 1 87 LEU H 1 87 LEU HB2 . . 3.800 3.569 2.503 3.643 . 0 0 "[ . 1 . 2]" 1
911 1 87 LEU H 1 87 LEU HB3 . . 3.800 2.703 2.485 2.801 . 0 0 "[ . 1 . 2]" 1
912 1 87 LEU H 1 87 LEU MD1 . . 5.040 3.468 3.277 4.080 . 0 0 "[ . 1 . 2]" 1
913 1 87 LEU H 1 87 LEU MD2 . . 4.760 3.302 3.035 4.233 . 0 0 "[ . 1 . 2]" 1
914 1 87 LEU H 1 87 LEU HG . . 5.500 2.157 1.910 4.469 . 0 0 "[ . 1 . 2]" 1
915 1 87 LEU HA 1 87 LEU MD1 . . 4.230 3.574 2.079 3.697 . 0 0 "[ . 1 . 2]" 1
916 1 87 LEU QB 1 88 SER H . . 4.030 3.692 2.798 3.872 . 0 0 "[ . 1 . 2]" 1
917 1 87 LEU HB2 1 88 SER H . . 4.320 4.115 3.978 4.303 . 0 0 "[ . 1 . 2]" 1
918 1 87 LEU HB3 1 88 SER H . . 4.320 4.215 2.856 4.392 0.072 20 0 "[ . 1 . 2]" 1
919 1 87 LEU MD1 1 88 SER H . . 6.060 2.852 2.486 4.560 . 0 0 "[ . 1 . 2]" 1
920 1 87 LEU MD2 1 88 SER H . . 6.250 4.486 4.193 4.806 . 0 0 "[ . 1 . 2]" 1
921 1 87 LEU MD2 1 88 SER HA . . 5.690 5.525 4.944 5.709 0.019 4 0 "[ . 1 . 2]" 1
922 1 87 LEU HG 1 88 SER H . . 5.500 3.025 2.571 4.029 . 0 0 "[ . 1 . 2]" 1
923 1 88 SER H 1 88 SER HB2 . . 3.490 2.601 2.375 3.537 0.047 12 0 "[ . 1 . 2]" 1
924 1 88 SER H 1 88 SER QB . . 3.130 2.412 2.291 2.834 . 0 0 "[ . 1 . 2]" 1
925 1 88 SER H 1 88 SER HB3 . . 3.490 3.181 2.529 3.664 0.174 2 0 "[ . 1 . 2]" 1
926 1 88 SER HB2 1 89 SER H . . 5.030 3.721 2.632 4.522 . 0 0 "[ . 1 . 2]" 1
927 1 88 SER HB3 1 89 SER H . . 5.030 3.613 2.206 4.492 . 0 0 "[ . 1 . 2]" 1
928 1 89 SER QB 1 90 ARG QG . . 6.880 4.435 2.679 6.024 . 0 0 "[ . 1 . 2]" 1
929 1 89 SER QB 2 19 PHE QD . . 8.500 5.720 3.244 8.501 0.001 8 0 "[ . 1 . 2]" 1
930 1 89 SER QB 2 19 PHE QE . . 8.500 5.601 2.370 7.804 . 0 0 "[ . 1 . 2]" 1
931 1 89 SER HB2 2 18 TYR QD . . 7.640 6.153 3.463 7.639 . 0 0 "[ . 1 . 2]" 1
932 1 89 SER HB3 2 18 TYR QD . . 7.640 5.751 4.457 7.560 . 0 0 "[ . 1 . 2]" 1
933 1 90 ARG HA 1 90 ARG HD2 . . 5.500 4.509 2.916 5.523 0.023 15 0 "[ . 1 . 2]" 1
934 1 90 ARG HA 1 90 ARG HD3 . . 5.500 4.361 1.888 5.535 0.035 19 0 "[ . 1 . 2]" 1
935 1 90 ARG HA 1 91 PRO HD2 . . 3.050 2.432 1.965 2.931 . 0 0 "[ . 1 . 2]" 1
936 1 90 ARG HA 1 91 PRO QD . . 2.840 1.990 1.751 2.151 . 0 0 "[ . 1 . 2]" 1
937 1 90 ARG HA 1 91 PRO HD3 . . 3.050 2.237 1.774 2.722 . 0 0 "[ . 1 . 2]" 1
938 1 90 ARG QB 1 91 PRO QD . . 6.220 3.126 2.047 3.819 . 0 0 "[ . 1 . 2]" 1
939 1 90 ARG HB2 1 91 PRO HD2 . . 7.250 4.098 2.083 5.377 . 0 0 "[ . 1 . 2]" 1
940 1 90 ARG HB2 1 91 PRO HD3 . . 7.250 4.449 3.051 5.184 . 0 0 "[ . 1 . 2]" 1
941 1 90 ARG HB3 1 91 PRO HD2 . . 7.250 3.938 2.224 5.226 . 0 0 "[ . 1 . 2]" 1
942 1 90 ARG HB3 1 91 PRO HD3 . . 7.250 4.417 3.688 5.097 . 0 0 "[ . 1 . 2]" 1
943 1 91 PRO HA 1 92 LYS H . . 2.960 2.291 2.125 2.660 . 0 0 "[ . 1 . 2]" 1
944 1 91 PRO HA 1 92 LYS QG . . 6.380 5.141 3.646 5.962 . 0 0 "[ . 1 . 2]" 1
945 1 91 PRO QB 1 92 LYS H . . 4.240 3.200 2.033 3.842 . 0 0 "[ . 1 . 2]" 1
946 1 91 PRO HB2 1 92 LYS H . . 4.480 3.522 2.052 4.276 . 0 0 "[ . 1 . 2]" 1
947 1 91 PRO HB3 1 92 LYS H . . 4.480 3.861 3.306 4.382 . 0 0 "[ . 1 . 2]" 1
948 1 92 LYS H 1 92 LYS QB . . 3.920 2.578 2.187 3.381 . 0 0 "[ . 1 . 2]" 1
949 1 92 LYS H 1 92 LYS HG2 . . 5.500 4.117 2.614 5.014 . 0 0 "[ . 1 . 2]" 1
950 1 92 LYS H 1 92 LYS HG3 . . 5.500 3.962 1.786 4.907 . 0 0 "[ . 1 . 2]" 1
951 1 92 LYS HA 1 93 LEU H . . 3.210 2.383 2.110 3.353 0.143 10 0 "[ . 1 . 2]" 1
952 1 92 LYS QB 1 93 LEU H . . 5.330 3.410 1.807 4.019 . 0 0 "[ . 1 . 2]" 1
953 1 92 LYS QG 1 93 LEU H . . 6.380 3.617 1.734 4.580 . 0 0 "[ . 1 . 2]" 1
954 1 93 LEU H 1 93 LEU HB2 . . 3.950 2.905 2.305 3.693 . 0 0 "[ . 1 . 2]" 1
955 1 93 LEU H 1 93 LEU HB3 . . 3.950 3.216 2.458 4.081 0.131 20 0 "[ . 1 . 2]" 1
956 1 93 LEU HA 1 93 LEU MD1 . . 4.450 2.751 1.846 3.864 . 0 0 "[ . 1 . 2]" 1
957 1 93 LEU HA 1 93 LEU QD . . 3.940 2.306 1.826 3.164 . 0 0 "[ . 1 . 2]" 1
958 1 93 LEU HA 1 93 LEU MD2 . . 4.450 3.292 1.951 3.912 . 0 0 "[ . 1 . 2]" 1
959 1 93 LEU HA 1 93 LEU HG . . 4.200 3.077 2.435 4.277 0.077 10 0 "[ . 1 . 2]" 1
960 1 93 LEU QB 1 94 HIS H . . 5.150 3.113 1.765 3.960 . 0 0 "[ . 1 . 2]" 1
961 1 93 LEU HB2 1 94 HIS H . . 5.310 3.804 1.831 4.545 . 0 0 "[ . 1 . 2]" 1
962 1 93 LEU HB3 1 94 HIS H . . 5.310 3.508 1.773 4.427 . 0 0 "[ . 1 . 2]" 1
963 1 93 LEU QD 1 94 HIS H . . 8.100 3.132 2.313 3.918 . 0 0 "[ . 1 . 2]" 1
964 1 93 LEU HG 1 94 HIS H . . 5.500 3.821 1.746 5.172 . 0 0 "[ . 1 . 2]" 1
965 1 95 ALA H 1 96 VAL H . . 4.720 3.925 2.194 4.627 . 0 0 "[ . 1 . 2]" 1
966 1 95 ALA HA 1 96 VAL H . . 2.930 2.424 2.144 2.939 0.009 4 0 "[ . 1 . 2]" 1
967 1 96 VAL H 1 96 VAL HB . . 3.800 3.142 2.561 3.714 . 0 0 "[ . 1 . 2]" 1
968 2 14 ARG HA 2 15 GLU H . . 3.420 2.676 2.077 3.533 0.113 5 0 "[ . 1 . 2]" 1
969 2 15 GLU H 2 15 GLU HB2 . . 4.010 3.146 2.400 3.848 . 0 0 "[ . 1 . 2]" 1
970 2 15 GLU H 2 15 GLU HB3 . . 4.010 3.421 2.570 4.098 0.088 5 0 "[ . 1 . 2]" 1
971 2 15 GLU H 2 15 GLU HG2 . . 5.500 3.417 1.937 4.587 . 0 0 "[ . 1 . 2]" 1
972 2 15 GLU H 2 15 GLU HG3 . . 5.500 3.484 2.065 4.757 . 0 0 "[ . 1 . 2]" 1
973 2 16 ASN HA 2 17 LEU H . . 3.550 2.536 2.103 3.549 . 0 0 "[ . 1 . 2]" 1
974 2 16 ASN HB2 2 17 LEU H . . 5.500 3.502 2.053 4.502 . 0 0 "[ . 1 . 2]" 1
975 2 16 ASN HB3 2 17 LEU H . . 5.500 3.634 1.794 4.426 . 0 0 "[ . 1 . 2]" 1
976 2 17 LEU H 2 17 LEU HB2 . . 3.830 2.777 2.296 3.401 . 0 0 "[ . 1 . 2]" 1
977 2 17 LEU H 2 17 LEU QB . . 3.650 2.622 2.270 3.241 . 0 0 "[ . 1 . 2]" 1
978 2 17 LEU H 2 17 LEU HB3 . . 3.830 3.477 2.585 4.080 0.250 7 0 "[ . 1 . 2]" 1
979 2 17 LEU H 2 17 LEU HG . . 5.500 4.055 2.169 4.913 . 0 0 "[ . 1 . 2]" 1
980 2 17 LEU H 2 18 TYR H . . 4.230 3.653 1.741 4.413 0.183 19 0 "[ . 1 . 2]" 1
981 2 17 LEU HA 2 17 LEU MD1 . . 4.700 2.664 1.810 3.883 . 0 0 "[ . 1 . 2]" 1
982 2 17 LEU HA 2 17 LEU QD . . 3.980 2.152 1.786 2.977 . 0 0 "[ . 1 . 2]" 1
983 2 17 LEU HA 2 17 LEU MD2 . . 4.700 3.121 1.816 3.897 . 0 0 "[ . 1 . 2]" 1
984 2 17 LEU HA 2 18 TYR H . . 3.360 2.576 2.091 3.494 0.134 18 0 "[ . 1 . 2]" 1
985 2 17 LEU QB 2 18 TYR H . . 4.300 3.237 1.774 3.972 . 0 0 "[ . 1 . 2]" 1
986 2 17 LEU HB2 2 18 TYR H . . 4.630 3.996 2.066 4.629 . 0 0 "[ . 1 . 2]" 1
987 2 17 LEU HB3 2 18 TYR H . . 4.630 3.513 1.782 4.424 . 0 0 "[ . 1 . 2]" 1
988 2 17 LEU MD1 2 18 TYR H . . 6.530 3.936 2.057 5.657 . 0 0 "[ . 1 . 2]" 1
989 2 17 LEU MD2 2 18 TYR H . . 6.530 4.389 2.761 5.519 . 0 0 "[ . 1 . 2]" 1
990 2 17 LEU HG 2 18 TYR H . . 5.500 4.134 1.830 5.590 0.090 14 0 "[ . 1 . 2]" 1
991 2 18 TYR H 2 18 TYR HB2 . . 3.450 2.962 2.196 3.661 0.211 7 0 "[ . 1 . 2]" 1
992 2 18 TYR H 2 18 TYR HB3 . . 3.450 3.137 2.659 3.681 0.231 11 0 "[ . 1 . 2]" 1
993 2 18 TYR H 2 19 PHE H . . 5.130 3.817 2.520 4.587 . 0 0 "[ . 1 . 2]" 1
994 2 18 TYR H 2 19 PHE QD . . 7.620 5.597 3.815 6.454 . 0 0 "[ . 1 . 2]" 1
995 2 18 TYR H 2 22 MET ME . . 6.060 4.649 2.019 6.134 0.074 16 0 "[ . 1 . 2]" 1
996 2 18 TYR QB 2 19 PHE QD . . 8.500 4.319 2.662 5.603 . 0 0 "[ . 1 . 2]" 1
997 2 18 TYR HB2 2 19 PHE H . . 4.260 3.634 1.929 4.475 0.215 12 0 "[ . 1 . 2]" 1
998 2 18 TYR HB3 2 19 PHE H . . 4.260 3.477 1.931 4.354 0.094 12 0 "[ . 1 . 2]" 1
999 2 18 TYR QD 2 19 PHE H . . 7.640 3.293 2.022 4.193 . 0 0 "[ . 1 . 2]" 1
1000 2 18 TYR QD 2 19 PHE QD . . 9.760 3.680 2.404 5.045 . 0 0 "[ . 1 . 2]" 1
1001 2 18 TYR QD 2 22 MET ME . . 7.580 4.238 1.972 6.533 . 0 0 "[ . 1 . 2]" 1
1002 2 18 TYR QE 2 19 PHE H . . 7.630 4.673 3.577 6.228 . 0 0 "[ . 1 . 2]" 1
1003 2 18 TYR QE 2 19 PHE QD . . 9.750 4.159 2.556 6.907 . 0 0 "[ . 1 . 2]" 1
1004 2 18 TYR QE 2 22 MET ME . . 8.660 5.272 2.717 7.669 . 0 0 "[ . 1 . 2]" 1
1005 2 19 PHE H 2 22 MET ME . . 4.790 3.644 1.873 4.863 0.073 2 0 "[ . 1 . 2]" 1
1006 2 19 PHE HB2 2 20 GLN H . . 4.880 3.713 2.704 4.477 . 0 0 "[ . 1 . 2]" 1
1007 2 19 PHE HB3 2 20 GLN H . . 4.880 3.351 1.849 4.328 . 0 0 "[ . 1 . 2]" 1
1008 2 19 PHE QD 2 30 VAL QG . . 10.210 4.976 3.564 6.246 . 0 0 "[ . 1 . 2]" 1
1009 2 19 PHE QE 2 30 VAL HB . . 7.620 6.545 2.146 7.682 0.062 17 0 "[ . 1 . 2]" 1
1010 2 19 PHE QE 2 30 VAL QG . . 9.310 3.927 2.197 5.059 . 0 0 "[ . 1 . 2]" 1
1011 2 20 GLN H 2 20 GLN HB2 . . 3.800 2.996 2.412 3.580 . 0 0 "[ . 1 . 2]" 1
1012 2 20 GLN H 2 20 GLN HB3 . . 3.800 3.447 2.566 4.043 0.243 17 0 "[ . 1 . 2]" 1
1013 2 20 GLN H 2 20 GLN HG2 . . 5.500 4.423 2.391 5.390 . 0 0 "[ . 1 . 2]" 1
1014 2 20 GLN H 2 20 GLN HG3 . . 5.500 4.233 2.438 5.218 . 0 0 "[ . 1 . 2]" 1
1015 2 21 GLY H 2 22 MET H . . 5.220 3.179 1.987 4.151 . 0 0 "[ . 1 . 2]" 1
1016 2 22 MET H 2 22 MET HB2 . . 4.040 2.936 2.339 3.722 . 0 0 "[ . 1 . 2]" 1
1017 2 22 MET H 2 22 MET HB3 . . 4.040 3.428 2.499 4.125 0.085 5 0 "[ . 1 . 2]" 1
1018 2 22 MET H 2 22 MET HG2 . . 5.500 3.894 1.935 5.018 . 0 0 "[ . 1 . 2]" 1
1019 2 22 MET H 2 22 MET HG3 . . 5.500 4.068 2.876 4.844 . 0 0 "[ . 1 . 2]" 1
1020 2 22 MET H 2 23 THR H . . 4.600 4.021 2.667 4.586 . 0 0 "[ . 1 . 2]" 1
1021 2 22 MET H 2 26 ALA MB . . 6.530 4.841 3.095 6.312 . 0 0 "[ . 1 . 2]" 1
1022 2 22 MET HA 2 22 MET ME . . 4.920 4.028 2.873 4.512 . 0 0 "[ . 1 . 2]" 1
1023 2 22 MET HA 2 23 THR H . . 3.640 2.546 2.075 3.549 . 0 0 "[ . 1 . 2]" 1
1024 2 22 MET HA 2 23 THR MG . . 4.980 4.383 3.308 5.398 0.418 2 0 "[ . 1 . 2]" 1
1025 2 22 MET QB 2 26 ALA MB . . 5.450 2.902 1.982 4.056 . 0 0 "[ . 1 . 2]" 1
1026 2 22 MET HB2 2 23 THR H . . 4.410 3.880 3.212 4.445 0.035 12 0 "[ . 1 . 2]" 1
1027 2 22 MET HB2 2 26 ALA MB . . 5.750 3.751 1.993 4.846 . 0 0 "[ . 1 . 2]" 1
1028 2 22 MET HB3 2 23 THR H . . 4.410 3.134 1.796 4.315 . 0 0 "[ . 1 . 2]" 1
1029 2 22 MET HB3 2 26 ALA MB . . 5.750 3.243 2.027 4.352 . 0 0 "[ . 1 . 2]" 1
1030 2 22 MET ME 2 23 THR H . . 6.530 5.128 3.949 6.028 . 0 0 "[ . 1 . 2]" 1
1031 2 22 MET ME 2 26 ALA HA . . 5.040 4.227 2.224 5.147 0.107 1 0 "[ . 1 . 2]" 1
1032 2 22 MET ME 2 26 ALA MB . . 7.180 2.820 1.771 3.430 . 0 0 "[ . 1 . 2]" 1
1033 2 22 MET QG 2 26 ALA MB . . 6.660 2.491 1.779 3.709 . 0 0 "[ . 1 . 2]" 1
1034 2 22 MET HG2 2 23 THR H . . 5.500 4.299 1.773 5.218 . 0 0 "[ . 1 . 2]" 1
1035 2 22 MET HG3 2 23 THR H . . 5.500 4.169 2.157 5.496 . 0 0 "[ . 1 . 2]" 1
1036 2 23 THR H 2 23 THR HB . . 4.170 3.306 2.551 4.066 . 0 0 "[ . 1 . 2]" 1
1037 2 23 THR H 2 23 THR MG . . 4.760 2.930 2.025 4.085 . 0 0 "[ . 1 . 2]" 1
1038 2 23 THR HB 2 24 ASP H . . 4.140 3.269 1.851 4.490 0.350 11 0 "[ . 1 . 2]" 1
1039 2 23 THR MG 2 24 ASP H . . 5.910 3.090 1.782 4.369 . 0 0 "[ . 1 . 2]" 1
1040 2 24 ASP HA 2 26 ALA MB . . 5.350 4.631 3.941 5.380 0.030 6 0 "[ . 1 . 2]" 1
1041 2 24 ASP HA 2 27 ALA MB . . 5.190 4.003 2.847 5.073 . 0 0 "[ . 1 . 2]" 1
1042 2 24 ASP HB2 2 25 THR H . . 5.130 3.627 2.240 4.118 . 0 0 "[ . 1 . 2]" 1
1043 2 24 ASP HB3 2 25 THR H . . 5.130 2.715 1.923 4.061 . 0 0 "[ . 1 . 2]" 1
1044 2 25 THR H 2 25 THR HB . . 4.110 2.823 2.619 3.658 . 0 0 "[ . 1 . 2]" 1
1045 2 25 THR HA 2 27 ALA H . . 4.410 3.910 3.577 4.482 0.072 20 0 "[ . 1 . 2]" 1
1046 2 25 THR HA 2 28 GLU HB2 . . 4.200 3.384 2.697 4.174 . 0 0 "[ . 1 . 2]" 1
1047 2 25 THR HA 2 28 GLU QB . . 3.760 3.075 2.184 3.735 . 0 0 "[ . 1 . 2]" 1
1048 2 25 THR HA 2 28 GLU HB3 . . 4.200 3.795 2.269 4.386 0.186 4 0 "[ . 1 . 2]" 1
1049 2 25 THR HA 2 28 GLU QG . . 5.790 4.556 2.282 5.835 0.045 15 0 "[ . 1 . 2]" 1
1050 2 25 THR HB 2 26 ALA H . . 5.130 3.160 2.687 3.859 . 0 0 "[ . 1 . 2]" 1
1051 2 25 THR HB 2 27 ALA H . . 5.310 5.192 4.925 5.365 0.055 1 0 "[ . 1 . 2]" 1
1052 2 25 THR HB 2 28 GLU QB . . 6.380 4.819 4.165 5.645 . 0 0 "[ . 1 . 2]" 1
1053 2 25 THR MG 2 26 ALA H . . 5.750 4.005 3.528 4.380 . 0 0 "[ . 1 . 2]" 1
1054 2 25 THR MG 2 27 ALA H . . 6.090 4.934 4.628 5.463 . 0 0 "[ . 1 . 2]" 1
1055 2 26 ALA H 2 28 GLU H . . 4.380 4.159 3.941 4.387 0.007 17 0 "[ . 1 . 2]" 1
1056 2 26 ALA HA 2 27 ALA H . . 3.610 3.495 3.431 3.557 . 0 0 "[ . 1 . 2]" 1
1057 2 26 ALA HA 2 28 GLU H . . 4.350 4.020 3.731 4.342 . 0 0 "[ . 1 . 2]" 1
1058 2 26 ALA HA 2 30 VAL H . . 4.450 4.198 3.437 4.589 0.139 12 0 "[ . 1 . 2]" 1
1059 2 26 ALA HA 2 30 VAL QG . . 6.850 3.831 2.754 4.797 . 0 0 "[ . 1 . 2]" 1
1060 2 26 ALA MB 2 29 ASP H . . 6.060 4.706 4.362 5.142 . 0 0 "[ . 1 . 2]" 1
1061 2 26 ALA MB 2 29 ASP QB . . 7.000 4.401 3.581 5.488 . 0 0 "[ . 1 . 2]" 1
1062 2 26 ALA MB 2 30 VAL QG . . 8.620 3.299 2.850 4.301 . 0 0 "[ . 1 . 2]" 1
1063 2 27 ALA H 2 28 GLU H . . 4.600 2.548 2.428 2.666 . 0 0 "[ . 1 . 2]" 1
1064 2 27 ALA HA 2 28 GLU H . . 3.580 3.472 3.444 3.520 . 0 0 "[ . 1 . 2]" 1
1065 2 27 ALA HA 2 29 ASP H . . 4.690 4.549 4.104 4.803 0.113 2 0 "[ . 1 . 2]" 1
1066 2 27 ALA MB 2 28 GLU H . . 4.390 2.786 2.590 2.875 . 0 0 "[ . 1 . 2]" 1
1067 2 28 GLU H 2 29 ASP H . . 4.170 2.569 2.323 2.930 . 0 0 "[ . 1 . 2]" 1
1068 2 28 GLU HA 2 31 ARG H . . 4.260 3.666 3.221 4.170 . 0 0 "[ . 1 . 2]" 1
1069 2 28 GLU HA 2 31 ARG QB . . 4.890 3.055 2.156 4.498 . 0 0 "[ . 1 . 2]" 1
1070 2 28 GLU HB2 2 29 ASP H . . 4.850 3.583 2.474 4.044 . 0 0 "[ . 1 . 2]" 1
1071 2 28 GLU HB3 2 29 ASP H . . 4.850 2.731 2.287 3.807 . 0 0 "[ . 1 . 2]" 1
1072 2 28 GLU HG2 2 29 ASP H . . 5.500 4.445 3.623 5.010 . 0 0 "[ . 1 . 2]" 1
1073 2 28 GLU HG3 2 29 ASP H . . 5.500 4.581 3.640 5.283 . 0 0 "[ . 1 . 2]" 1
1074 2 29 ASP HA 2 32 LYS H . . 4.010 3.362 2.854 3.908 . 0 0 "[ . 1 . 2]" 1
1075 2 29 ASP HA 2 32 LYS HB2 . . 4.450 2.863 2.277 3.733 . 0 0 "[ . 1 . 2]" 1
1076 2 29 ASP HA 2 32 LYS QB . . 4.170 2.640 2.025 3.056 . 0 0 "[ . 1 . 2]" 1
1077 2 29 ASP HA 2 32 LYS HB3 . . 4.450 3.502 2.181 4.511 0.061 20 0 "[ . 1 . 2]" 1
1078 2 29 ASP HA 2 32 LYS QE . . 6.290 4.526 2.194 5.976 . 0 0 "[ . 1 . 2]" 1
1079 2 30 VAL H 2 30 VAL HB . . 3.390 2.525 2.460 2.585 . 0 0 "[ . 1 . 2]" 1
1080 2 30 VAL H 2 31 ARG H . . 3.490 2.636 2.438 2.825 . 0 0 "[ . 1 . 2]" 1
1081 2 30 VAL HA 2 33 ILE H . . 3.760 3.544 3.198 3.725 . 0 0 "[ . 1 . 2]" 1
1082 2 30 VAL HA 2 33 ILE MD . . 5.350 2.700 2.259 3.275 . 0 0 "[ . 1 . 2]" 1
1083 2 30 VAL HA 2 33 ILE QG . . 6.380 2.506 1.879 3.426 . 0 0 "[ . 1 . 2]" 1
1084 2 30 VAL HA 2 33 ILE MG . . 5.600 4.000 3.063 4.755 . 0 0 "[ . 1 . 2]" 1
1085 2 30 VAL HB 2 31 ARG H . . 3.800 2.858 2.536 3.926 0.126 8 0 "[ . 1 . 2]" 1
1086 2 30 VAL QG 2 31 ARG H . . 5.460 3.147 2.156 3.363 . 0 0 "[ . 1 . 2]" 1
1087 2 30 VAL QG 2 32 LYS H . . 7.560 4.444 4.031 4.613 . 0 0 "[ . 1 . 2]" 1
1088 2 30 VAL QG 2 34 ALA H . . 7.280 3.968 3.644 4.352 . 0 0 "[ . 1 . 2]" 1
1089 2 30 VAL QG 2 34 ALA MB . . 8.000 3.134 2.613 3.579 . 0 0 "[ . 1 . 2]" 1
1090 2 30 VAL MG1 2 31 ARG H . . 5.880 3.359 2.170 3.631 . 0 0 "[ . 1 . 2]" 1
1091 2 30 VAL MG2 2 31 ARG H . . 5.880 3.890 3.729 4.004 . 0 0 "[ . 1 . 2]" 1
1092 2 31 ARG H 2 31 ARG QB . . 3.790 2.326 2.162 2.680 . 0 0 "[ . 1 . 2]" 1
1093 2 31 ARG H 2 32 LYS H . . 3.550 2.596 2.499 2.714 . 0 0 "[ . 1 . 2]" 1
1094 2 31 ARG HA 2 33 ILE MD . . 6.530 5.787 5.511 6.251 . 0 0 "[ . 1 . 2]" 1
1095 2 31 ARG HA 2 34 ALA MB . . 4.300 2.398 1.964 2.821 . 0 0 "[ . 1 . 2]" 1
1096 2 31 ARG HA 2 87 LEU MD1 . . 5.690 5.233 4.003 5.762 0.072 17 0 "[ . 1 . 2]" 1
1097 2 31 ARG HA 2 87 LEU MD2 . . 6.530 3.792 2.410 4.362 . 0 0 "[ . 1 . 2]" 1
1098 2 31 ARG QB 2 32 LYS H . . 4.030 2.953 2.429 3.641 . 0 0 "[ . 1 . 2]" 1
1099 2 31 ARG HB2 2 32 LYS H . . 4.200 3.812 2.802 4.129 . 0 0 "[ . 1 . 2]" 1
1100 2 31 ARG HB3 2 32 LYS H . . 4.200 3.224 2.466 4.212 0.012 1 0 "[ . 1 . 2]" 1
1101 2 32 LYS H 2 32 LYS HB2 . . 3.670 2.338 2.035 2.573 . 0 0 "[ . 1 . 2]" 1
1102 2 32 LYS H 2 32 LYS HB3 . . 3.670 2.959 2.493 3.605 . 0 0 "[ . 1 . 2]" 1
1103 2 32 LYS H 2 32 LYS HG2 . . 5.500 4.245 3.387 4.616 . 0 0 "[ . 1 . 2]" 1
1104 2 32 LYS H 2 32 LYS HG3 . . 5.500 3.960 2.429 4.582 . 0 0 "[ . 1 . 2]" 1
1105 2 32 LYS H 2 33 ILE H . . 3.390 2.806 2.582 2.934 . 0 0 "[ . 1 . 2]" 1
1106 2 32 LYS HA 2 35 THR H . . 3.920 3.715 3.253 3.977 0.057 9 0 "[ . 1 . 2]" 1
1107 2 32 LYS HA 2 35 THR HB . . 3.980 3.303 2.597 3.921 . 0 0 "[ . 1 . 2]" 1
1108 2 32 LYS HA 2 35 THR MG . . 4.920 4.475 3.942 4.941 0.021 20 0 "[ . 1 . 2]" 1
1109 2 32 LYS QB 2 33 ILE H . . 4.300 2.442 2.189 2.687 . 0 0 "[ . 1 . 2]" 1
1110 2 32 LYS HB2 2 33 ILE H . . 4.720 3.330 2.637 3.896 . 0 0 "[ . 1 . 2]" 1
1111 2 32 LYS HB3 2 33 ILE H . . 4.720 2.704 2.212 3.652 . 0 0 "[ . 1 . 2]" 1
1112 2 32 LYS QG 2 33 ILE H . . 6.380 3.892 3.297 4.376 . 0 0 "[ . 1 . 2]" 1
1113 2 33 ILE H 2 33 ILE HB . . 3.700 3.442 2.598 3.660 . 0 0 "[ . 1 . 2]" 1
1114 2 33 ILE H 2 33 ILE MD . . 4.670 3.622 3.432 3.724 . 0 0 "[ . 1 . 2]" 1
1115 2 33 ILE H 2 33 ILE HG12 . . 5.500 2.268 1.779 3.354 . 0 0 "[ . 1 . 2]" 1
1116 2 33 ILE H 2 33 ILE HG13 . . 5.500 2.847 1.851 3.302 . 0 0 "[ . 1 . 2]" 1
1117 2 33 ILE H 2 33 ILE MG . . 4.330 2.631 2.161 3.790 . 0 0 "[ . 1 . 2]" 1
1118 2 33 ILE H 2 34 ALA H . . 3.210 2.551 2.415 2.716 . 0 0 "[ . 1 . 2]" 1
1119 2 33 ILE HA 2 36 ALA MB . . 5.010 3.003 2.397 3.883 . 0 0 "[ . 1 . 2]" 1
1120 2 33 ILE HB 2 34 ALA H . . 3.800 3.530 2.312 3.864 0.064 19 0 "[ . 1 . 2]" 1
1121 2 33 ILE MD 2 34 ALA H . . 4.570 4.003 3.827 4.445 . 0 0 "[ . 1 . 2]" 1
1122 2 33 ILE QG 2 34 ALA H . . 5.220 2.519 2.108 3.818 . 0 0 "[ . 1 . 2]" 1
1123 2 33 ILE HG12 2 34 ALA H . . 5.500 3.224 2.662 4.876 . 0 0 "[ . 1 . 2]" 1
1124 2 33 ILE HG13 2 34 ALA H . . 5.500 2.635 2.140 3.988 . 0 0 "[ . 1 . 2]" 1
1125 2 33 ILE MG 2 34 ALA H . . 5.380 3.912 3.438 4.164 . 0 0 "[ . 1 . 2]" 1
1126 2 34 ALA H 2 35 THR H . . 3.830 2.622 2.511 2.848 . 0 0 "[ . 1 . 2]" 1
1127 2 34 ALA HA 2 37 LEU MD1 . . 6.530 3.462 2.288 5.485 . 0 0 "[ . 1 . 2]" 1
1128 2 34 ALA HA 2 37 LEU QD . . 5.950 2.384 1.984 3.318 . 0 0 "[ . 1 . 2]" 1
1129 2 34 ALA HA 2 37 LEU MD2 . . 6.530 2.704 2.009 3.742 . 0 0 "[ . 1 . 2]" 1
1130 2 35 THR H 2 35 THR HB . . 3.330 2.571 2.529 2.632 . 0 0 "[ . 1 . 2]" 1
1131 2 35 THR H 2 35 THR MG . . 4.730 3.771 3.750 3.782 . 0 0 "[ . 1 . 2]" 1
1132 2 35 THR H 2 36 ALA H . . 3.240 2.590 2.431 2.799 . 0 0 "[ . 1 . 2]" 1
1133 2 35 THR H 2 37 LEU QD . . 6.640 4.703 4.208 5.297 . 0 0 "[ . 1 . 2]" 1
1134 2 35 THR HA 2 37 LEU HG . . 4.760 4.645 4.092 4.894 0.134 9 0 "[ . 1 . 2]" 1
1135 2 35 THR HA 2 38 LEU H . . 4.380 3.413 3.004 3.762 . 0 0 "[ . 1 . 2]" 1
1136 2 35 THR HA 2 38 LEU QB . . 4.990 2.824 2.251 3.670 . 0 0 "[ . 1 . 2]" 1
1137 2 35 THR HA 2 38 LEU MD1 . . 5.910 3.453 2.012 5.479 . 0 0 "[ . 1 . 2]" 1
1138 2 35 THR HA 2 38 LEU QD . . 4.950 2.812 1.876 3.753 . 0 0 "[ . 1 . 2]" 1
1139 2 35 THR HA 2 38 LEU MD2 . . 5.910 3.712 1.878 4.883 . 0 0 "[ . 1 . 2]" 1
1140 2 35 THR HA 2 87 LEU MD2 . . 4.260 3.196 2.073 4.309 0.049 4 0 "[ . 1 . 2]" 1
1141 2 35 THR HB 2 36 ALA H . . 3.610 2.879 2.645 2.989 . 0 0 "[ . 1 . 2]" 1
1142 2 35 THR MG 2 36 ALA H . . 4.730 3.722 3.537 3.850 . 0 0 "[ . 1 . 2]" 1
1143 2 35 THR MG 2 38 LEU H . . 6.500 4.353 3.964 4.822 . 0 0 "[ . 1 . 2]" 1
1144 2 35 THR MG 2 87 LEU MD2 . . 6.190 4.152 2.948 5.548 . 0 0 "[ . 1 . 2]" 1
1145 2 36 ALA H 2 37 LEU H . . 3.800 2.730 2.595 2.899 . 0 0 "[ . 1 . 2]" 1
1146 2 36 ALA H 2 37 LEU QD . . 6.950 4.392 3.428 5.330 . 0 0 "[ . 1 . 2]" 1
1147 2 36 ALA HA 2 37 LEU H . . 3.640 3.534 3.460 3.572 . 0 0 "[ . 1 . 2]" 1
1148 2 36 ALA HA 2 39 LYS H . . 4.690 3.452 3.005 3.699 . 0 0 "[ . 1 . 2]" 1
1149 2 36 ALA HA 2 39 LYS QB . . 4.330 2.858 2.017 4.134 . 0 0 "[ . 1 . 2]" 1
1150 2 36 ALA HA 2 39 LYS QD . . 6.380 4.270 2.215 5.950 . 0 0 "[ . 1 . 2]" 1
1151 2 36 ALA HA 2 39 LYS HG2 . . 5.500 4.448 2.154 5.588 0.088 20 0 "[ . 1 . 2]" 1
1152 2 36 ALA HA 2 39 LYS QG . . 5.300 3.802 2.129 4.530 . 0 0 "[ . 1 . 2]" 1
1153 2 36 ALA HA 2 39 LYS HG3 . . 5.500 4.432 3.006 5.553 0.053 14 0 "[ . 1 . 2]" 1
1154 2 36 ALA HA 2 40 THR H . . 4.790 4.145 3.630 4.824 0.034 5 0 "[ . 1 . 2]" 1
1155 2 36 ALA MB 2 37 LEU H . . 4.390 2.580 2.330 2.863 . 0 0 "[ . 1 . 2]" 1
1156 2 36 ALA MB 2 38 LEU H . . 6.190 4.410 4.220 4.687 . 0 0 "[ . 1 . 2]" 1
1157 2 37 LEU H 2 37 LEU HB2 . . 3.520 3.335 2.574 3.618 0.098 11 0 "[ . 1 . 2]" 1
1158 2 37 LEU H 2 37 LEU HB3 . . 3.520 2.862 2.040 3.583 0.063 1 0 "[ . 1 . 2]" 1
1159 2 37 LEU H 2 37 LEU MD1 . . 5.130 3.607 3.322 4.324 . 0 0 "[ . 1 . 2]" 1
1160 2 37 LEU H 2 37 LEU QD . . 4.690 2.874 1.768 3.671 . 0 0 "[ . 1 . 2]" 1
1161 2 37 LEU H 2 37 LEU MD2 . . 5.130 3.054 1.771 3.969 . 0 0 "[ . 1 . 2]" 1
1162 2 37 LEU H 2 37 LEU HG . . 4.140 2.177 1.871 3.970 . 0 0 "[ . 1 . 2]" 1
1163 2 37 LEU H 2 38 LEU H . . 3.640 2.543 2.372 2.852 . 0 0 "[ . 1 . 2]" 1
1164 2 37 LEU HA 2 40 THR H . . 4.070 3.678 2.988 4.104 0.034 7 0 "[ . 1 . 2]" 1
1165 2 37 LEU QB 2 38 LEU H . . 4.580 3.327 2.453 3.665 . 0 0 "[ . 1 . 2]" 1
1166 2 37 LEU QD 2 38 LEU H . . 5.100 3.044 2.409 4.061 . 0 0 "[ . 1 . 2]" 1
1167 2 37 LEU MD1 2 38 LEU H . . 5.850 3.239 2.421 4.635 . 0 0 "[ . 1 . 2]" 1
1168 2 37 LEU MD2 2 38 LEU H . . 5.850 4.214 3.547 4.582 . 0 0 "[ . 1 . 2]" 1
1169 2 37 LEU HG 2 38 LEU H . . 4.540 2.925 2.307 4.147 . 0 0 "[ . 1 . 2]" 1
1170 2 38 LEU H 2 38 LEU HB2 . . 3.800 2.407 2.201 2.569 . 0 0 "[ . 1 . 2]" 1
1171 2 38 LEU H 2 38 LEU QB . . 3.370 2.285 2.179 2.426 . 0 0 "[ . 1 . 2]" 1
1172 2 38 LEU H 2 38 LEU HB3 . . 3.800 3.118 2.395 3.604 . 0 0 "[ . 1 . 2]" 1
1173 2 38 LEU H 2 38 LEU MD1 . . 5.350 3.478 1.941 4.236 . 0 0 "[ . 1 . 2]" 1
1174 2 38 LEU H 2 38 LEU QD . . 4.970 2.996 1.937 3.760 . 0 0 "[ . 1 . 2]" 1
1175 2 38 LEU H 2 38 LEU MD2 . . 5.350 3.734 1.963 4.275 . 0 0 "[ . 1 . 2]" 1
1176 2 38 LEU H 2 39 LYS H . . 4.230 2.457 2.338 2.625 . 0 0 "[ . 1 . 2]" 1
1177 2 38 LEU HA 2 38 LEU MD1 . . 4.700 3.029 1.802 3.886 . 0 0 "[ . 1 . 2]" 1
1178 2 38 LEU HA 2 38 LEU QD . . 4.000 2.472 1.778 3.118 . 0 0 "[ . 1 . 2]" 1
1179 2 38 LEU HA 2 38 LEU MD2 . . 4.700 3.115 1.912 3.872 . 0 0 "[ . 1 . 2]" 1
1180 2 38 LEU HA 2 40 THR H . . 5.130 4.811 4.098 5.137 0.007 17 0 "[ . 1 . 2]" 1
1181 2 38 LEU HA 2 41 ALA MB . . 6.430 4.486 2.292 5.233 . 0 0 "[ . 1 . 2]" 1
1182 2 38 LEU HB2 2 39 LYS H . . 3.890 3.370 2.808 3.955 0.065 8 0 "[ . 1 . 2]" 1
1183 2 38 LEU HB3 2 39 LYS H . . 3.890 3.310 2.650 3.859 . 0 0 "[ . 1 . 2]" 1
1184 2 38 LEU QD 2 80 VAL QG . . 10.100 4.024 2.026 5.203 . 0 0 "[ . 1 . 2]" 1
1185 2 38 LEU QD 2 84 LYS QE . . 6.530 3.259 1.865 5.126 . 0 0 "[ . 1 . 2]" 1
1186 2 38 LEU QD 2 84 LYS QG . . 5.550 3.299 1.787 5.032 . 0 0 "[ . 1 . 2]" 1
1187 2 38 LEU MD1 2 39 LYS H . . 5.500 4.486 3.513 4.965 . 0 0 "[ . 1 . 2]" 1
1188 2 38 LEU MD1 2 84 LYS HE2 . . 8.280 4.155 2.011 6.341 . 0 0 "[ . 1 . 2]" 1
1189 2 38 LEU MD1 2 84 LYS HE3 . . 8.280 4.896 2.816 6.951 . 0 0 "[ . 1 . 2]" 1
1190 2 38 LEU MD1 2 84 LYS HG2 . . 7.530 4.163 1.799 6.197 . 0 0 "[ . 1 . 2]" 1
1191 2 38 LEU MD1 2 84 LYS HG3 . . 7.530 4.823 3.030 6.783 . 0 0 "[ . 1 . 2]" 1
1192 2 38 LEU MD2 2 39 LYS H . . 5.500 4.307 3.163 5.038 . 0 0 "[ . 1 . 2]" 1
1193 2 38 LEU MD2 2 84 LYS HE2 . . 8.280 4.402 1.878 6.674 . 0 0 "[ . 1 . 2]" 1
1194 2 38 LEU MD2 2 84 LYS HE3 . . 8.280 5.242 3.335 6.949 . 0 0 "[ . 1 . 2]" 1
1195 2 38 LEU MD2 2 84 LYS HG2 . . 7.530 4.735 2.556 7.367 . 0 0 "[ . 1 . 2]" 1
1196 2 38 LEU MD2 2 84 LYS HG3 . . 7.530 5.286 3.983 6.943 . 0 0 "[ . 1 . 2]" 1
1197 2 39 LYS H 2 39 LYS HB2 . . 3.450 2.459 2.272 3.607 0.157 7 0 "[ . 1 . 2]" 1
1198 2 39 LYS H 2 39 LYS QB . . 3.260 2.275 2.163 2.536 . 0 0 "[ . 1 . 2]" 1
1199 2 39 LYS H 2 39 LYS HB3 . . 3.450 3.044 2.282 3.603 0.153 18 0 "[ . 1 . 2]" 1
1200 2 39 LYS H 2 39 LYS HD2 . . 5.500 4.483 3.440 5.236 . 0 0 "[ . 1 . 2]" 1
1201 2 39 LYS H 2 39 LYS HD3 . . 5.500 4.785 3.536 5.755 0.255 2 0 "[ . 1 . 2]" 1
1202 2 39 LYS H 2 39 LYS QE . . 6.380 4.884 3.646 6.126 . 0 0 "[ . 1 . 2]" 1
1203 2 39 LYS H 2 39 LYS HG2 . . 5.130 3.786 2.190 4.645 . 0 0 "[ . 1 . 2]" 1
1204 2 39 LYS H 2 39 LYS HG3 . . 5.130 3.831 2.283 4.591 . 0 0 "[ . 1 . 2]" 1
1205 2 39 LYS H 2 40 THR H . . 3.420 2.614 2.206 2.835 . 0 0 "[ . 1 . 2]" 1
1206 2 39 LYS H 2 40 THR MG . . 6.250 4.772 3.816 6.202 . 0 0 "[ . 1 . 2]" 1
1207 2 39 LYS H 2 41 ALA H . . 4.970 4.573 3.558 5.079 0.109 6 0 "[ . 1 . 2]" 1
1208 2 39 LYS HA 2 39 LYS HD2 . . 5.500 3.470 1.939 4.864 . 0 0 "[ . 1 . 2]" 1
1209 2 39 LYS HA 2 39 LYS HD3 . . 5.500 3.824 1.842 5.518 0.018 7 0 "[ . 1 . 2]" 1
1210 2 39 LYS HA 2 40 THR H . . 3.550 3.564 3.496 3.590 0.040 7 0 "[ . 1 . 2]" 1
1211 2 39 LYS QB 2 40 THR H . . 4.420 2.491 2.153 3.499 . 0 0 "[ . 1 . 2]" 1
1212 2 39 LYS QB 2 40 THR MG . . 6.660 3.259 2.197 5.099 . 0 0 "[ . 1 . 2]" 1
1213 2 39 LYS HB2 2 40 THR H . . 4.760 3.177 2.206 3.967 . 0 0 "[ . 1 . 2]" 1
1214 2 39 LYS HB3 2 40 THR H . . 4.760 2.955 2.176 4.011 . 0 0 "[ . 1 . 2]" 1
1215 2 39 LYS QE 2 40 THR H . . 6.380 5.200 4.430 6.430 0.050 9 0 "[ . 1 . 2]" 1
1216 2 39 LYS HG2 2 40 THR H . . 5.500 4.453 2.681 5.170 . 0 0 "[ . 1 . 2]" 1
1217 2 39 LYS HG3 2 40 THR H . . 5.500 4.287 2.318 5.117 . 0 0 "[ . 1 . 2]" 1
1218 2 40 THR H 2 40 THR HB . . 4.010 3.358 2.864 3.681 . 0 0 "[ . 1 . 2]" 1
1219 2 40 THR H 2 41 ALA H . . 3.490 2.692 1.719 3.420 . 0 0 "[ . 1 . 2]" 1
1220 2 40 THR H 2 41 ALA MB . . 4.880 3.768 3.458 4.337 . 0 0 "[ . 1 . 2]" 1
1221 2 40 THR H 2 42 ILE H . . 4.480 4.697 3.621 5.070 0.590 20 9 "[ * ** *1 -**. *+]" 1
1222 2 40 THR HA 2 42 ILE H . . 4.410 3.494 2.683 4.435 0.025 18 0 "[ . 1 . 2]" 1
1223 2 40 THR HB 2 41 ALA H . . 4.320 4.120 2.007 4.572 0.252 3 0 "[ . 1 . 2]" 1
1224 2 40 THR MG 2 41 ALA H . . 5.290 3.554 1.664 4.356 . 0 0 "[ . 1 . 2]" 1
1225 2 40 THR MG 2 42 ILE H . . 6.530 4.501 2.621 5.941 . 0 0 "[ . 1 . 2]" 1
1226 2 41 ALA H 2 42 ILE H . . 3.670 2.495 1.778 3.748 0.078 2 0 "[ . 1 . 2]" 1
1227 2 41 ALA MB 2 57 LYS H . . 6.530 5.796 4.787 6.604 0.074 18 0 "[ . 1 . 2]" 1
1228 2 41 ALA MB 2 80 VAL QG . . 7.530 4.031 2.216 6.221 . 0 0 "[ . 1 . 2]" 1
1229 2 42 ILE H 2 42 ILE HB . . 3.360 2.792 2.381 3.512 0.152 20 0 "[ . 1 . 2]" 1
1230 2 42 ILE H 2 42 ILE MD . . 4.540 3.385 1.810 4.234 . 0 0 "[ . 1 . 2]" 1
1231 2 42 ILE H 2 42 ILE HG12 . . 5.500 3.254 2.141 4.726 . 0 0 "[ . 1 . 2]" 1
1232 2 42 ILE H 2 42 ILE QG . . 4.830 2.391 1.894 4.055 . 0 0 "[ . 1 . 2]" 1
1233 2 42 ILE H 2 42 ILE HG13 . . 5.500 2.872 1.907 4.414 . 0 0 "[ . 1 . 2]" 1
1234 2 42 ILE H 2 43 GLU H . . 5.070 4.354 3.788 4.603 . 0 0 "[ . 1 . 2]" 1
1235 2 42 ILE HA 2 43 GLU H . . 3.240 2.466 2.146 3.285 0.045 7 0 "[ . 1 . 2]" 1
1236 2 42 ILE HB 2 43 GLU H . . 4.320 3.344 1.758 4.329 0.009 5 0 "[ . 1 . 2]" 1
1237 2 42 ILE MD 2 43 GLU H . . 6.340 4.179 2.207 5.299 . 0 0 "[ . 1 . 2]" 1
1238 2 42 ILE MD 2 57 LYS H . . 6.090 4.161 1.744 6.142 0.052 8 0 "[ . 1 . 2]" 1
1239 2 42 ILE MD 2 72 ILE MG . . 7.560 5.262 3.808 7.123 . 0 0 "[ . 1 . 2]" 1
1240 2 42 ILE QG 2 43 GLU H . . 6.380 4.143 2.863 4.933 . 0 0 "[ . 1 . 2]" 1
1241 2 42 ILE MG 2 43 GLU H . . 4.790 2.461 1.686 3.994 . 0 0 "[ . 1 . 2]" 1
1242 2 42 ILE MG 2 43 GLU HA . . 6.530 4.082 3.607 5.229 . 0 0 "[ . 1 . 2]" 1
1243 2 42 ILE MG 2 43 GLU QB . . 7.310 4.076 3.009 4.942 . 0 0 "[ . 1 . 2]" 1
1244 2 43 GLU H 2 43 GLU HG2 . . 5.500 3.822 1.885 5.121 . 0 0 "[ . 1 . 2]" 1
1245 2 43 GLU H 2 43 GLU HG3 . . 5.500 4.053 2.601 4.769 . 0 0 "[ . 1 . 2]" 1
1246 2 43 GLU H 2 44 ILE H . . 5.500 4.453 4.211 4.533 . 0 0 "[ . 1 . 2]" 1
1247 2 43 GLU H 2 55 GLN H . . 4.380 4.063 3.142 4.537 0.157 16 0 "[ . 1 . 2]" 1
1248 2 43 GLU H 2 57 LYS H . . 5.220 4.817 3.022 5.292 0.072 7 0 "[ . 1 . 2]" 1
1249 2 43 GLU HA 2 44 ILE H . . 2.870 2.315 2.174 2.689 . 0 0 "[ . 1 . 2]" 1
1250 2 43 GLU QB 2 44 ILE H . . 3.740 3.029 2.079 3.641 . 0 0 "[ . 1 . 2]" 1
1251 2 43 GLU QB 2 45 VAL QG . . 8.870 3.933 2.782 5.117 . 0 0 "[ . 1 . 2]" 1
1252 2 43 GLU HB2 2 44 ILE H . . 4.040 3.380 2.092 4.164 0.124 6 0 "[ . 1 . 2]" 1
1253 2 43 GLU HB3 2 44 ILE H . . 4.040 3.774 3.008 4.092 0.052 4 0 "[ . 1 . 2]" 1
1254 2 43 GLU QG 2 45 VAL QG . . 5.750 3.304 2.407 4.247 . 0 0 "[ . 1 . 2]" 1
1255 2 43 GLU HG2 2 44 ILE H . . 5.500 3.743 2.564 4.779 . 0 0 "[ . 1 . 2]" 1
1256 2 43 GLU HG2 2 45 VAL MG1 . . 6.530 3.987 2.777 4.913 . 0 0 "[ . 1 . 2]" 1
1257 2 43 GLU HG2 2 45 VAL MG2 . . 6.530 5.561 3.875 6.556 0.026 17 0 "[ . 1 . 2]" 1
1258 2 43 GLU HG3 2 44 ILE H . . 5.500 3.203 1.954 4.974 . 0 0 "[ . 1 . 2]" 1
1259 2 43 GLU HG3 2 45 VAL MG1 . . 6.530 3.925 2.525 5.441 . 0 0 "[ . 1 . 2]" 1
1260 2 43 GLU HG3 2 45 VAL MG2 . . 6.530 5.480 3.225 6.582 0.052 15 0 "[ . 1 . 2]" 1
1261 2 44 ILE H 2 44 ILE HB . . 3.210 3.097 2.317 3.699 0.489 5 0 "[ . 1 . 2]" 1
1262 2 44 ILE H 2 44 ILE MD . . 5.600 3.870 2.728 4.579 . 0 0 "[ . 1 . 2]" 1
1263 2 44 ILE H 2 44 ILE HG12 . . 5.130 3.268 1.966 4.661 . 0 0 "[ . 1 . 2]" 1
1264 2 44 ILE H 2 44 ILE QG . . 4.780 2.940 1.782 4.309 . 0 0 "[ . 1 . 2]" 1
1265 2 44 ILE H 2 44 ILE HG13 . . 5.130 3.730 1.788 5.073 . 0 0 "[ . 1 . 2]" 1
1266 2 44 ILE H 2 44 ILE MG . . 4.480 2.869 1.799 3.842 . 0 0 "[ . 1 . 2]" 1
1267 2 44 ILE H 2 45 VAL H . . 5.250 4.331 4.091 4.490 . 0 0 "[ . 1 . 2]" 1
1268 2 44 ILE HA 2 45 VAL H . . 3.110 2.142 2.098 2.201 . 0 0 "[ . 1 . 2]" 1
1269 2 44 ILE HA 2 45 VAL QG . . 8.090 3.365 3.276 3.463 . 0 0 "[ . 1 . 2]" 1
1270 2 44 ILE HB 2 45 VAL H . . 4.570 3.926 2.969 4.451 . 0 0 "[ . 1 . 2]" 1
1271 2 44 ILE HB 2 53 HIS H . . 5.500 4.930 3.145 5.659 0.159 4 0 "[ . 1 . 2]" 1
1272 2 44 ILE MD 2 45 VAL H . . 6.030 4.102 3.072 5.366 . 0 0 "[ . 1 . 2]" 1
1273 2 44 ILE MD 2 46 SER HB2 . . 6.530 5.549 3.531 6.648 0.118 11 0 "[ . 1 . 2]" 1
1274 2 44 ILE MD 2 46 SER QB . . 6.170 4.596 2.110 5.761 . 0 0 "[ . 1 . 2]" 1
1275 2 44 ILE MD 2 46 SER HB3 . . 6.530 5.114 2.127 6.649 0.119 6 0 "[ . 1 . 2]" 1
1276 2 44 ILE MD 2 53 HIS H . . 6.530 4.075 2.678 6.343 . 0 0 "[ . 1 . 2]" 1
1277 2 44 ILE MD 2 65 TRP HE3 . . 6.310 4.513 2.372 6.321 0.011 8 0 "[ . 1 . 2]" 1
1278 2 44 ILE HG12 2 45 VAL H . . 5.500 4.418 2.744 5.524 0.024 12 0 "[ . 1 . 2]" 1
1279 2 44 ILE HG13 2 45 VAL H . . 5.500 4.559 2.829 5.561 0.061 3 0 "[ . 1 . 2]" 1
1280 2 44 ILE MG 2 45 VAL H . . 4.300 3.633 2.756 4.132 . 0 0 "[ . 1 . 2]" 1
1281 2 44 ILE MG 2 45 VAL HA . . 6.280 4.432 3.412 5.554 . 0 0 "[ . 1 . 2]" 1
1282 2 44 ILE MG 2 52 ALA HA . . 5.780 4.784 3.005 5.913 0.133 14 0 "[ . 1 . 2]" 1
1283 2 44 ILE MG 2 52 ALA MB . . 5.700 3.094 1.735 4.894 . 0 0 "[ . 1 . 2]" 1
1284 2 44 ILE MG 2 53 HIS H . . 5.440 4.111 2.488 5.447 0.007 14 0 "[ . 1 . 2]" 1
1285 2 44 ILE MG 2 54 ASN HA . . 6.530 3.505 2.113 4.474 . 0 0 "[ . 1 . 2]" 1
1286 2 44 ILE MG 2 65 TRP HB2 . . 6.530 4.391 2.423 5.766 . 0 0 "[ . 1 . 2]" 1
1287 2 44 ILE MG 2 65 TRP HB3 . . 6.530 5.081 2.713 6.541 0.011 17 0 "[ . 1 . 2]" 1
1288 2 44 ILE MG 2 65 TRP HD1 . . 6.530 5.459 2.557 6.602 0.072 20 0 "[ . 1 . 2]" 1
1289 2 44 ILE MG 2 65 TRP HE3 . . 6.530 4.991 3.285 6.574 0.044 6 0 "[ . 1 . 2]" 1
1290 2 45 VAL H 2 45 VAL HB . . 3.670 3.686 3.645 3.714 0.044 16 0 "[ . 1 . 2]" 1
1291 2 45 VAL H 2 46 SER H . . 4.790 4.368 4.171 4.573 . 0 0 "[ . 1 . 2]" 1
1292 2 45 VAL H 2 52 ALA HA . . 5.500 5.081 4.431 5.532 0.032 2 0 "[ . 1 . 2]" 1
1293 2 45 VAL H 2 52 ALA MB . . 5.940 4.591 3.177 5.728 . 0 0 "[ . 1 . 2]" 1
1294 2 45 VAL H 2 53 HIS H . . 4.410 3.275 2.740 4.042 . 0 0 "[ . 1 . 2]" 1
1295 2 45 VAL H 2 54 ASN HA . . 4.540 3.621 3.014 4.572 0.032 4 0 "[ . 1 . 2]" 1
1296 2 45 VAL HA 2 46 SER H . . 2.900 2.176 2.102 2.391 . 0 0 "[ . 1 . 2]" 1
1297 2 45 VAL HB 2 46 SER H . . 3.610 3.306 2.525 3.709 0.099 6 0 "[ . 1 . 2]" 1
1298 2 45 VAL QG 2 46 SER H . . 4.910 3.514 3.206 3.650 . 0 0 "[ . 1 . 2]" 1
1299 2 45 VAL QG 2 46 SER HA . . 8.060 4.164 3.688 4.298 . 0 0 "[ . 1 . 2]" 1
1300 2 45 VAL QG 2 52 ALA HA . . 8.060 4.444 3.991 4.889 . 0 0 "[ . 1 . 2]" 1
1301 2 45 VAL QG 2 53 HIS QB . . 6.040 2.172 1.741 4.622 . 0 0 "[ . 1 . 2]" 1
1302 2 45 VAL QG 2 55 GLN H . . 6.070 3.860 3.106 4.830 . 0 0 "[ . 1 . 2]" 1
1303 2 45 VAL QG 2 55 GLN QE . . 5.770 2.593 1.897 4.303 . 0 0 "[ . 1 . 2]" 1
1304 2 45 VAL MG1 2 46 SER H . . 5.290 3.855 3.584 3.977 . 0 0 "[ . 1 . 2]" 1
1305 2 45 VAL MG1 2 53 HIS HB2 . . 8.130 4.855 4.339 7.201 . 0 0 "[ . 1 . 2]" 1
1306 2 45 VAL MG1 2 53 HIS HB3 . . 8.130 5.779 5.130 8.049 . 0 0 "[ . 1 . 2]" 1
1307 2 45 VAL MG1 2 55 GLN HE21 . . 7.300 3.971 2.243 6.138 . 0 0 "[ . 1 . 2]" 1
1308 2 45 VAL MG1 2 55 GLN HE22 . . 7.300 3.966 2.602 6.320 . 0 0 "[ . 1 . 2]" 1
1309 2 45 VAL MG2 2 46 SER H . . 5.290 4.063 3.501 4.257 . 0 0 "[ . 1 . 2]" 1
1310 2 45 VAL MG2 2 53 HIS HB2 . . 8.130 2.212 1.756 4.926 . 0 0 "[ . 1 . 2]" 1
1311 2 45 VAL MG2 2 53 HIS HB3 . . 8.130 3.403 2.752 5.984 . 0 0 "[ . 1 . 2]" 1
1312 2 45 VAL MG2 2 55 GLN HE21 . . 7.300 3.126 2.159 5.147 . 0 0 "[ . 1 . 2]" 1
1313 2 45 VAL MG2 2 55 GLN HE22 . . 7.300 3.330 2.167 4.933 . 0 0 "[ . 1 . 2]" 1
1314 2 46 SER H 2 46 SER HB2 . . 3.730 3.001 2.483 3.729 . 0 0 "[ . 1 . 2]" 1
1315 2 46 SER H 2 46 SER QB . . 3.500 2.646 2.284 3.162 . 0 0 "[ . 1 . 2]" 1
1316 2 46 SER H 2 46 SER HB3 . . 3.730 3.265 2.436 3.714 . 0 0 "[ . 1 . 2]" 1
1317 2 46 SER H 2 47 GLU H . . 5.220 4.507 4.377 4.604 . 0 0 "[ . 1 . 2]" 1
1318 2 46 SER H 2 52 ALA HA . . 5.500 4.567 4.060 5.216 . 0 0 "[ . 1 . 2]" 1
1319 2 46 SER HA 2 47 GLU H . . 2.960 2.202 2.079 2.321 . 0 0 "[ . 1 . 2]" 1
1320 2 46 SER HA 2 47 GLU QB . . 5.670 4.366 3.929 4.646 . 0 0 "[ . 1 . 2]" 1
1321 2 46 SER HA 2 47 GLU QG . . 6.380 4.004 3.551 5.419 . 0 0 "[ . 1 . 2]" 1
1322 2 46 SER HA 2 52 ALA HA . . 5.130 1.981 1.691 2.686 . 0 0 "[ . 1 . 2]" 1
1323 2 46 SER HA 2 52 ALA MB . . 5.410 2.904 2.087 3.900 . 0 0 "[ . 1 . 2]" 1
1324 2 46 SER HA 2 53 HIS H . . 4.110 3.170 2.704 4.114 0.004 14 0 "[ . 1 . 2]" 1
1325 2 46 SER QB 2 47 GLU H . . 3.770 3.013 2.514 3.566 . 0 0 "[ . 1 . 2]" 1
1326 2 46 SER QB 2 52 ALA HA . . 6.380 3.431 2.491 4.580 . 0 0 "[ . 1 . 2]" 1
1327 2 46 SER QB 2 52 ALA MB . . 5.810 3.054 2.320 4.130 . 0 0 "[ . 1 . 2]" 1
1328 2 46 SER HB2 2 47 GLU H . . 3.980 3.584 2.649 4.124 0.144 12 0 "[ . 1 . 2]" 1
1329 2 46 SER HB2 2 52 ALA MB . . 6.160 3.948 2.753 5.052 . 0 0 "[ . 1 . 2]" 1
1330 2 46 SER HB3 2 47 GLU H . . 3.980 3.509 2.560 4.057 0.077 18 0 "[ . 1 . 2]" 1
1331 2 46 SER HB3 2 52 ALA MB . . 6.160 3.335 2.388 5.167 . 0 0 "[ . 1 . 2]" 1
1332 2 47 GLU H 2 47 GLU HB2 . . 3.890 2.466 2.144 3.499 . 0 0 "[ . 1 . 2]" 1
1333 2 47 GLU H 2 47 GLU QB . . 3.630 2.398 2.116 2.917 . 0 0 "[ . 1 . 2]" 1
1334 2 47 GLU H 2 47 GLU HB3 . . 3.890 3.518 2.998 3.671 . 0 0 "[ . 1 . 2]" 1
1335 2 47 GLU H 2 47 GLU HG2 . . 5.500 3.341 2.248 4.401 . 0 0 "[ . 1 . 2]" 1
1336 2 47 GLU H 2 47 GLU HG3 . . 5.500 3.153 1.931 4.778 . 0 0 "[ . 1 . 2]" 1
1337 2 47 GLU H 2 48 GLU H . . 5.500 4.500 4.210 4.636 . 0 0 "[ . 1 . 2]" 1
1338 2 47 GLU H 2 51 GLY H . . 4.200 3.472 2.650 4.076 . 0 0 "[ . 1 . 2]" 1
1339 2 47 GLU H 2 52 ALA H . . 4.450 4.222 2.002 4.552 0.102 16 0 "[ . 1 . 2]" 1
1340 2 47 GLU H 2 52 ALA HA . . 3.730 2.883 2.373 3.929 0.199 19 0 "[ . 1 . 2]" 1
1341 2 47 GLU H 2 52 ALA MB . . 6.530 3.930 3.354 4.669 . 0 0 "[ . 1 . 2]" 1
1342 2 47 GLU H 2 53 HIS H . . 5.070 4.524 4.069 4.910 . 0 0 "[ . 1 . 2]" 1
1343 2 47 GLU H 2 53 HIS HD2 . . 5.500 4.243 3.174 5.572 0.072 14 0 "[ . 1 . 2]" 1
1344 2 47 GLU HA 2 51 GLY H . . 5.250 5.044 4.397 5.453 0.203 19 0 "[ . 1 . 2]" 1
1345 2 47 GLU QB 2 49 ASP H . . 4.120 2.958 2.013 4.091 . 0 0 "[ . 1 . 2]" 1
1346 2 47 GLU QB 2 50 GLY H . . 4.620 2.962 2.077 4.192 . 0 0 "[ . 1 . 2]" 1
1347 2 47 GLU QB 2 51 GLY H . . 3.660 2.390 2.019 3.210 . 0 0 "[ . 1 . 2]" 1
1348 2 47 GLU HB2 2 49 ASP H . . 4.540 3.870 2.022 4.696 0.156 4 0 "[ . 1 . 2]" 1
1349 2 47 GLU HB2 2 50 GLY H . . 4.940 3.349 2.406 4.524 . 0 0 "[ . 1 . 2]" 1
1350 2 47 GLU HB2 2 51 GLY H . . 3.890 2.533 2.031 3.836 . 0 0 "[ . 1 . 2]" 1
1351 2 47 GLU HB3 2 49 ASP H . . 4.540 3.214 2.466 4.609 0.069 7 0 "[ . 1 . 2]" 1
1352 2 47 GLU HB3 2 50 GLY H . . 4.940 3.637 2.097 5.017 0.077 14 0 "[ . 1 . 2]" 1
1353 2 47 GLU HB3 2 51 GLY H . . 3.890 3.629 2.306 3.994 0.104 16 0 "[ . 1 . 2]" 1
1354 2 47 GLU QG 2 49 ASP H . . 6.380 4.837 3.601 6.013 . 0 0 "[ . 1 . 2]" 1
1355 2 47 GLU QG 2 52 ALA HA . . 6.100 3.989 2.815 5.928 . 0 0 "[ . 1 . 2]" 1
1356 2 47 GLU QG 2 53 HIS H . . 6.380 4.767 3.855 6.443 0.063 4 0 "[ . 1 . 2]" 1
1357 2 47 GLU QG 2 53 HIS HD2 . . 6.380 2.761 1.988 4.624 . 0 0 "[ . 1 . 2]" 1
1358 2 47 GLU HG2 2 48 GLU H . . 5.500 4.329 3.380 4.856 . 0 0 "[ . 1 . 2]" 1
1359 2 47 GLU HG3 2 48 GLU H . . 5.500 4.768 4.018 5.260 . 0 0 "[ . 1 . 2]" 1
1360 2 48 GLU H 2 48 GLU HG2 . . 5.500 4.286 3.078 5.224 . 0 0 "[ . 1 . 2]" 1
1361 2 48 GLU H 2 48 GLU HG3 . . 5.500 3.960 1.909 4.875 . 0 0 "[ . 1 . 2]" 1
1362 2 48 GLU H 2 49 ASP H . . 4.760 2.728 2.042 4.086 . 0 0 "[ . 1 . 2]" 1
1363 2 48 GLU HA 2 49 ASP H . . 3.450 3.506 3.437 3.541 0.091 3 0 "[ . 1 . 2]" 1
1364 2 48 GLU QB 2 49 ASP H . . 3.710 2.430 1.775 2.884 . 0 0 "[ . 1 . 2]" 1
1365 2 48 GLU QB 2 49 ASP QB . . 7.250 3.672 3.141 4.021 . 0 0 "[ . 1 . 2]" 1
1366 2 48 GLU HB2 2 49 ASP H . . 3.890 3.400 1.786 3.932 0.042 18 0 "[ . 1 . 2]" 1
1367 2 48 GLU HB3 2 49 ASP H . . 3.890 2.725 1.832 3.952 0.062 14 0 "[ . 1 . 2]" 1
1368 2 48 GLU QG 2 49 ASP HA . . 6.380 4.643 3.712 5.966 . 0 0 "[ . 1 . 2]" 1
1369 2 48 GLU QG 2 49 ASP QB . . 7.250 4.221 2.479 5.482 . 0 0 "[ . 1 . 2]" 1
1370 2 48 GLU HG2 2 49 ASP H . . 5.500 4.271 3.372 5.093 . 0 0 "[ . 1 . 2]" 1
1371 2 48 GLU HG3 2 49 ASP H . . 5.500 4.351 2.562 5.012 . 0 0 "[ . 1 . 2]" 1
1372 2 49 ASP H 2 49 ASP HB2 . . 3.670 3.022 2.497 3.562 . 0 0 "[ . 1 . 2]" 1
1373 2 49 ASP H 2 49 ASP QB . . 3.470 2.543 2.245 2.964 . 0 0 "[ . 1 . 2]" 1
1374 2 49 ASP H 2 49 ASP HB3 . . 3.670 2.787 2.399 3.722 0.052 10 0 "[ . 1 . 2]" 1
1375 2 49 ASP H 2 50 GLY H . . 4.290 2.821 1.700 4.235 . 0 0 "[ . 1 . 2]" 1
1376 2 49 ASP HB2 2 50 GLY H . . 4.290 4.056 3.486 4.436 0.146 2 0 "[ . 1 . 2]" 1
1377 2 49 ASP HB3 2 50 GLY H . . 4.290 3.342 2.090 4.369 0.079 14 0 "[ . 1 . 2]" 1
1378 2 50 GLY H 2 51 GLY H . . 4.410 3.000 2.413 3.772 . 0 0 "[ . 1 . 2]" 1
1379 2 51 GLY H 2 52 ALA H . . 4.140 4.226 3.677 4.466 0.326 7 0 "[ . 1 . 2]" 1
1380 2 51 GLY QA 2 52 ALA H . . 2.880 2.175 1.970 2.282 . 0 0 "[ . 1 . 2]" 1
1381 2 51 GLY QA 2 52 ALA MB . . 6.240 3.662 3.519 3.813 . 0 0 "[ . 1 . 2]" 1
1382 2 51 GLY HA2 2 52 ALA H . . 3.080 2.601 2.085 3.116 0.036 8 0 "[ . 1 . 2]" 1
1383 2 51 GLY HA2 2 52 ALA MB . . 6.530 3.950 3.763 4.333 . 0 0 "[ . 1 . 2]" 1
1384 2 51 GLY HA3 2 52 ALA H . . 3.080 2.526 1.992 3.203 0.123 18 0 "[ . 1 . 2]" 1
1385 2 51 GLY HA3 2 52 ALA MB . . 6.530 4.367 4.032 4.816 . 0 0 "[ . 1 . 2]" 1
1386 2 52 ALA H 2 53 HIS H . . 4.630 4.308 3.032 4.611 . 0 0 "[ . 1 . 2]" 1
1387 2 52 ALA H 2 65 TRP HD1 . . 5.500 4.723 2.870 5.598 0.098 17 0 "[ . 1 . 2]" 1
1388 2 52 ALA HA 2 53 HIS H . . 3.270 2.278 2.141 2.501 . 0 0 "[ . 1 . 2]" 1
1389 2 52 ALA MB 2 53 HIS H . . 4.170 2.799 2.218 3.602 . 0 0 "[ . 1 . 2]" 1
1390 2 52 ALA MB 2 65 TRP H . . 6.430 4.528 3.543 6.018 . 0 0 "[ . 1 . 2]" 1
1391 2 52 ALA MB 2 65 TRP HA . . 6.530 4.574 3.191 6.069 . 0 0 "[ . 1 . 2]" 1
1392 2 52 ALA MB 2 65 TRP HB2 . . 4.610 2.960 1.818 4.382 . 0 0 "[ . 1 . 2]" 1
1393 2 52 ALA MB 2 65 TRP HB3 . . 4.610 3.056 1.827 4.079 . 0 0 "[ . 1 . 2]" 1
1394 2 52 ALA MB 2 65 TRP HD1 . . 5.290 3.346 1.906 4.747 . 0 0 "[ . 1 . 2]" 1
1395 2 52 ALA MB 2 65 TRP HE1 . . 6.530 4.217 2.906 5.232 . 0 0 "[ . 1 . 2]" 1
1396 2 52 ALA MB 2 65 TRP HE3 . . 6.120 4.261 3.195 5.488 . 0 0 "[ . 1 . 2]" 1
1397 2 52 ALA MB 2 65 TRP HZ2 . . 6.120 5.244 3.848 6.157 0.037 15 0 "[ . 1 . 2]" 1
1398 2 53 HIS H 2 53 HIS HD2 . . 5.500 3.466 3.013 3.772 . 0 0 "[ . 1 . 2]" 1
1399 2 53 HIS H 2 54 ASN H . . 5.280 4.261 4.078 4.394 . 0 0 "[ . 1 . 2]" 1
1400 2 53 HIS HA 2 53 HIS HE1 . . 4.850 4.941 4.875 5.004 0.154 19 0 "[ . 1 . 2]" 1
1401 2 53 HIS HA 2 54 ASN H . . 3.550 2.163 2.090 2.237 . 0 0 "[ . 1 . 2]" 1
1402 2 53 HIS QB 2 63 VAL H . . 6.380 4.628 3.613 6.451 0.071 4 0 "[ . 1 . 2]" 1
1403 2 53 HIS HB2 2 54 ASN H . . 4.410 4.269 3.992 4.462 0.052 19 0 "[ . 1 . 2]" 1
1404 2 53 HIS HB3 2 54 ASN H . . 4.410 3.359 2.999 3.726 . 0 0 "[ . 1 . 2]" 1
1405 2 54 ASN H 2 63 VAL H . . 4.940 3.573 2.902 5.049 0.109 19 0 "[ . 1 . 2]" 1
1406 2 54 ASN H 2 63 VAL MG1 . . 4.820 3.561 1.719 4.654 . 0 0 "[ . 1 . 2]" 1
1407 2 54 ASN H 2 65 TRP H . . 4.010 3.761 2.187 4.120 0.110 19 0 "[ . 1 . 2]" 1
1408 2 54 ASN HA 2 55 GLN H . . 2.960 2.178 2.142 2.271 . 0 0 "[ . 1 . 2]" 1
1409 2 54 ASN HA 2 63 VAL MG1 . . 5.600 4.688 4.154 5.566 . 0 0 "[ . 1 . 2]" 1
1410 2 54 ASN QB 2 63 VAL MG1 . . 4.500 2.290 1.786 3.031 . 0 0 "[ . 1 . 2]" 1
1411 2 54 ASN QB 2 63 VAL MG2 . . 6.010 3.876 2.646 4.536 . 0 0 "[ . 1 . 2]" 1
1412 2 54 ASN HB2 2 63 VAL MG1 . . 4.880 3.381 2.247 4.210 . 0 0 "[ . 1 . 2]" 1
1413 2 54 ASN HB3 2 63 VAL MG1 . . 4.880 2.403 1.800 3.530 . 0 0 "[ . 1 . 2]" 1
1414 2 55 GLN H 2 55 GLN HB2 . . 3.860 3.039 2.416 3.951 0.091 5 0 "[ . 1 . 2]" 1
1415 2 55 GLN H 2 55 GLN HB3 . . 3.860 3.297 2.535 3.853 . 0 0 "[ . 1 . 2]" 1
1416 2 55 GLN H 2 55 GLN HG2 . . 5.500 3.712 2.006 4.515 . 0 0 "[ . 1 . 2]" 1
1417 2 55 GLN H 2 55 GLN HG3 . . 5.500 3.602 2.520 4.806 . 0 0 "[ . 1 . 2]" 1
1418 2 55 GLN H 2 56 CYS H . . 5.500 4.291 4.083 4.546 . 0 0 "[ . 1 . 2]" 1
1419 2 55 GLN H 2 63 VAL MG1 . . 6.400 5.372 4.663 6.456 0.056 18 0 "[ . 1 . 2]" 1
1420 2 55 GLN HA 2 62 SER HA . . 4.540 2.551 2.017 4.462 . 0 0 "[ . 1 . 2]" 1
1421 2 55 GLN HA 2 62 SER QB . . 6.380 3.523 1.758 5.236 . 0 0 "[ . 1 . 2]" 1
1422 2 55 GLN HA 2 63 VAL H . . 4.570 3.661 3.208 4.782 0.212 19 0 "[ . 1 . 2]" 1
1423 2 55 GLN QB 2 56 CYS H . . 4.480 3.327 2.586 3.952 . 0 0 "[ . 1 . 2]" 1
1424 2 55 GLN HB2 2 56 CYS H . . 4.790 3.977 2.628 4.440 . 0 0 "[ . 1 . 2]" 1
1425 2 55 GLN HB3 2 56 CYS H . . 4.790 3.754 2.622 4.439 . 0 0 "[ . 1 . 2]" 1
1426 2 55 GLN QG 2 56 CYS H . . 5.700 3.724 2.274 4.461 . 0 0 "[ . 1 . 2]" 1
1427 2 56 CYS H 2 56 CYS HB2 . . 4.010 2.680 2.446 3.600 . 0 0 "[ . 1 . 2]" 1
1428 2 56 CYS H 2 56 CYS QB . . 3.820 2.405 2.260 2.590 . 0 0 "[ . 1 . 2]" 1
1429 2 56 CYS H 2 56 CYS HB3 . . 4.010 3.027 2.465 3.771 . 0 0 "[ . 1 . 2]" 1
1430 2 56 CYS H 2 57 LYS H . . 5.500 4.325 3.876 4.596 . 0 0 "[ . 1 . 2]" 1
1431 2 56 CYS H 2 61 ALA H . . 4.200 3.473 2.925 4.220 0.020 4 0 "[ . 1 . 2]" 1
1432 2 56 CYS H 2 62 SER HA . . 4.170 3.389 2.758 4.284 0.114 19 0 "[ . 1 . 2]" 1
1433 2 56 CYS H 2 62 SER QB . . 6.380 4.554 2.743 5.742 . 0 0 "[ . 1 . 2]" 1
1434 2 56 CYS H 2 72 ILE MG . . 6.530 5.228 3.957 6.581 0.051 8 0 "[ . 1 . 2]" 1
1435 2 56 CYS HA 2 57 LYS H . . 2.870 2.178 2.054 2.369 . 0 0 "[ . 1 . 2]" 1
1436 2 56 CYS QB 2 57 LYS H . . 5.540 3.632 2.949 3.938 . 0 0 "[ . 1 . 2]" 1
1437 2 56 CYS QB 2 61 ALA H . . 5.200 2.622 1.813 4.171 . 0 0 "[ . 1 . 2]" 1
1438 2 56 CYS QB 2 72 ILE MG . . 7.130 4.107 2.279 6.451 . 0 0 "[ . 1 . 2]" 1
1439 2 56 CYS HB2 2 61 ALA H . . 5.500 3.386 1.822 5.557 0.057 4 0 "[ . 1 . 2]" 1
1440 2 56 CYS HB3 2 61 ALA H . . 5.500 3.344 1.883 4.647 . 0 0 "[ . 1 . 2]" 1
1441 2 57 LYS H 2 57 LYS HB2 . . 3.980 2.657 2.048 3.643 . 0 0 "[ . 1 . 2]" 1
1442 2 57 LYS H 2 57 LYS QB . . 3.770 2.369 2.025 2.641 . 0 0 "[ . 1 . 2]" 1
1443 2 57 LYS H 2 57 LYS HB3 . . 3.980 3.073 2.467 3.597 . 0 0 "[ . 1 . 2]" 1
1444 2 57 LYS H 2 57 LYS HG2 . . 5.500 3.228 1.788 4.623 . 0 0 "[ . 1 . 2]" 1
1445 2 57 LYS H 2 57 LYS QG . . 4.870 2.855 1.775 4.048 . 0 0 "[ . 1 . 2]" 1
1446 2 57 LYS H 2 57 LYS HG3 . . 5.500 3.647 2.093 4.578 . 0 0 "[ . 1 . 2]" 1
1447 2 57 LYS H 2 58 LEU H . . 3.300 2.851 2.440 3.701 0.401 10 0 "[ . 1 . 2]" 1
1448 2 57 LYS H 2 58 LEU MD1 . . 5.230 4.201 2.704 5.413 0.183 10 0 "[ . 1 . 2]" 1
1449 2 57 LYS QB 2 58 LEU H . . 4.360 3.402 2.497 3.972 . 0 0 "[ . 1 . 2]" 1
1450 2 57 LYS QB 2 58 LEU MD1 . . 5.330 3.514 2.216 5.164 . 0 0 "[ . 1 . 2]" 1
1451 2 57 LYS HB2 2 58 LEU H . . 4.510 3.868 2.539 4.580 0.070 10 0 "[ . 1 . 2]" 1
1452 2 57 LYS HB3 2 58 LEU H . . 4.510 3.971 2.815 4.474 . 0 0 "[ . 1 . 2]" 1
1453 2 57 LYS QE 2 58 LEU MD1 . . 6.570 5.326 3.589 6.683 0.113 8 0 "[ . 1 . 2]" 1
1454 2 57 LYS QG 2 58 LEU H . . 6.380 4.111 2.981 4.908 . 0 0 "[ . 1 . 2]" 1
1455 2 57 LYS QG 2 58 LEU MD1 . . 6.690 4.106 1.827 5.858 . 0 0 "[ . 1 . 2]" 1
1456 2 58 LEU H 2 58 LEU HB2 . . 3.920 2.506 2.225 3.289 . 0 0 "[ . 1 . 2]" 1
1457 2 58 LEU H 2 58 LEU QB . . 3.740 2.414 2.201 2.972 . 0 0 "[ . 1 . 2]" 1
1458 2 58 LEU H 2 58 LEU HB3 . . 3.920 3.402 2.756 3.834 . 0 0 "[ . 1 . 2]" 1
1459 2 58 LEU H 2 58 LEU MD1 . . 4.850 3.049 1.944 4.311 . 0 0 "[ . 1 . 2]" 1
1460 2 58 LEU H 2 58 LEU HG . . 5.500 4.055 2.672 4.828 . 0 0 "[ . 1 . 2]" 1
1461 2 58 LEU H 2 59 CYS H . . 3.210 2.565 2.169 3.494 0.284 5 0 "[ . 1 . 2]" 1
1462 2 58 LEU H 2 60 GLY H . . 3.950 3.430 2.342 4.003 0.053 17 0 "[ . 1 . 2]" 1
1463 2 58 LEU HA 2 58 LEU MD1 . . 4.610 2.653 1.876 3.858 . 0 0 "[ . 1 . 2]" 1
1464 2 58 LEU QB 2 59 CYS H . . 3.520 2.642 1.749 3.531 0.011 6 0 "[ . 1 . 2]" 1
1465 2 58 LEU HB2 2 59 CYS H . . 3.760 3.074 1.794 4.227 0.467 6 0 "[ . 1 . 2]" 1
1466 2 58 LEU HB3 2 59 CYS H . . 3.760 3.139 2.052 4.309 0.549 12 1 "[ . 1 + . 2]" 1
1467 2 58 LEU MD1 2 59 CYS H . . 5.810 4.342 3.643 5.326 . 0 0 "[ . 1 . 2]" 1
1468 2 58 LEU MD1 2 79 PRO QB . . 7.410 5.171 2.610 6.789 . 0 0 "[ . 1 . 2]" 1
1469 2 58 LEU MD1 2 79 PRO QG . . 6.660 4.586 1.833 5.747 . 0 0 "[ . 1 . 2]" 1
1470 2 58 LEU MD2 2 59 CYS H . . 6.500 4.567 3.642 5.411 . 0 0 "[ . 1 . 2]" 1
1471 2 58 LEU MD2 2 79 PRO HA . . 6.530 5.365 4.076 6.237 . 0 0 "[ . 1 . 2]" 1
1472 2 58 LEU MD2 2 79 PRO QB . . 5.450 3.593 2.239 4.694 . 0 0 "[ . 1 . 2]" 1
1473 2 58 LEU MD2 2 80 VAL H . . 4.610 3.418 1.820 4.667 0.057 12 0 "[ . 1 . 2]" 1
1474 2 58 LEU MD2 2 80 VAL QG . . 7.660 2.259 1.779 3.839 . 0 0 "[ . 1 . 2]" 1
1475 2 59 CYS H 2 60 GLY H . . 3.330 2.193 1.781 2.628 . 0 0 "[ . 1 . 2]" 1
1476 2 59 CYS H 2 60 GLY QA . . 5.290 4.065 3.412 4.459 . 0 0 "[ . 1 . 2]" 1
1477 2 59 CYS H 2 61 ALA H . . 4.110 3.902 3.455 4.196 0.086 9 0 "[ . 1 . 2]" 1
1478 2 59 CYS HA 2 75 ALA MB . . 4.980 3.980 2.439 5.052 0.072 2 0 "[ . 1 . 2]" 1
1479 2 59 CYS QB 2 60 GLY H . . 4.950 3.381 2.570 3.929 . 0 0 "[ . 1 . 2]" 1
1480 2 59 CYS QB 2 75 ALA H . . 6.380 3.642 2.175 6.420 0.040 9 0 "[ . 1 . 2]" 1
1481 2 59 CYS HB2 2 75 ALA MB . . 5.010 3.705 2.328 5.111 0.101 17 0 "[ . 1 . 2]" 1
1482 2 59 CYS HB3 2 75 ALA MB . . 5.010 3.686 1.705 5.056 0.046 12 0 "[ . 1 . 2]" 1
1483 2 60 GLY H 2 61 ALA H . . 3.450 2.461 2.137 2.907 . 0 0 "[ . 1 . 2]" 1
1484 2 61 ALA H 2 62 SER H . . 4.910 4.395 4.100 4.630 . 0 0 "[ . 1 . 2]" 1
1485 2 61 ALA H 2 72 ILE MG . . 5.850 5.001 3.675 5.928 0.078 14 0 "[ . 1 . 2]" 1
1486 2 61 ALA HA 2 62 SER H . . 2.590 2.247 2.144 2.453 . 0 0 "[ . 1 . 2]" 1
1487 2 61 ALA HA 2 72 ILE MG . . 5.970 4.479 3.062 5.637 . 0 0 "[ . 1 . 2]" 1
1488 2 61 ALA MB 2 62 SER H . . 3.860 2.807 2.370 3.103 . 0 0 "[ . 1 . 2]" 1
1489 2 61 ALA MB 2 72 ILE MG . . 6.100 2.486 1.770 3.892 . 0 0 "[ . 1 . 2]" 1
1490 2 61 ALA MB 2 74 HIS HA . . 4.670 4.099 3.438 4.716 0.046 16 0 "[ . 1 . 2]" 1
1491 2 62 SER H 2 62 SER HB2 . . 3.980 3.089 2.557 3.767 . 0 0 "[ . 1 . 2]" 1
1492 2 62 SER H 2 62 SER HB3 . . 3.980 3.435 2.595 3.937 . 0 0 "[ . 1 . 2]" 1
1493 2 62 SER H 2 63 VAL H . . 4.970 4.334 4.119 4.473 . 0 0 "[ . 1 . 2]" 1
1494 2 62 SER H 2 72 ILE MG . . 5.630 4.433 2.757 5.216 . 0 0 "[ . 1 . 2]" 1
1495 2 62 SER HA 2 63 VAL H . . 3.450 2.241 2.106 2.876 . 0 0 "[ . 1 . 2]" 1
1496 2 62 SER HA 2 72 ILE MD . . 4.850 4.249 3.117 4.949 0.099 18 0 "[ . 1 . 2]" 1
1497 2 62 SER HA 2 72 ILE MG . . 6.530 5.025 2.047 5.974 . 0 0 "[ . 1 . 2]" 1
1498 2 62 SER QB 2 63 VAL H . . 4.010 3.054 1.769 3.785 . 0 0 "[ . 1 . 2]" 1
1499 2 62 SER QB 2 72 ILE MD . . 6.240 4.501 1.893 5.837 . 0 0 "[ . 1 . 2]" 1
1500 2 62 SER HB2 2 63 VAL H . . 4.230 3.740 2.832 4.253 0.023 1 0 "[ . 1 . 2]" 1
1501 2 62 SER HB2 2 72 ILE MD . . 6.530 5.161 3.400 6.528 . 0 0 "[ . 1 . 2]" 1
1502 2 62 SER HB3 2 63 VAL H . . 4.230 3.427 1.786 4.263 0.033 5 0 "[ . 1 . 2]" 1
1503 2 62 SER HB3 2 72 ILE MD . . 6.530 5.139 1.902 6.576 0.046 2 0 "[ . 1 . 2]" 1
1504 2 63 VAL H 2 63 VAL HB . . 4.010 3.056 2.461 3.464 . 0 0 "[ . 1 . 2]" 1
1505 2 63 VAL H 2 63 VAL MG1 . . 4.420 2.674 1.992 3.840 . 0 0 "[ . 1 . 2]" 1
1506 2 63 VAL H 2 72 ILE MD . . 6.530 4.299 3.159 5.397 . 0 0 "[ . 1 . 2]" 1
1507 2 63 VAL MG1 2 67 GLN H . . 5.720 4.436 2.830 5.518 . 0 0 "[ . 1 . 2]" 1
1508 2 63 VAL MG1 2 67 GLN QB . . 5.210 3.766 2.706 5.234 0.024 16 0 "[ . 1 . 2]" 1
1509 2 63 VAL MG1 2 67 GLN QE . . 6.750 4.734 2.837 6.557 . 0 0 "[ . 1 . 2]" 1
1510 2 63 VAL MG1 2 67 GLN QG . . 6.970 4.840 3.630 6.907 . 0 0 "[ . 1 . 2]" 1
1511 2 63 VAL MG1 2 69 GLY HA2 . . 4.670 2.991 1.825 4.706 0.036 14 0 "[ . 1 . 2]" 1
1512 2 63 VAL MG1 2 69 GLY HA3 . . 4.670 3.808 2.452 4.756 0.086 17 0 "[ . 1 . 2]" 1
1513 2 63 VAL MG2 2 67 GLN QE . . 7.370 3.735 1.792 6.136 . 0 0 "[ . 1 . 2]" 1
1514 2 64 PRO QB 2 65 TRP H . . 4.120 3.235 2.610 3.811 . 0 0 "[ . 1 . 2]" 1
1515 2 64 PRO HB2 2 65 TRP H . . 4.480 3.646 2.950 4.151 . 0 0 "[ . 1 . 2]" 1
1516 2 64 PRO HB3 2 65 TRP H . . 4.480 3.731 2.755 4.517 0.037 3 0 "[ . 1 . 2]" 1
1517 2 65 TRP H 2 65 TRP HB2 . . 3.890 3.054 2.261 3.667 . 0 0 "[ . 1 . 2]" 1
1518 2 65 TRP H 2 65 TRP QB . . 3.720 2.529 2.169 3.059 . 0 0 "[ . 1 . 2]" 1
1519 2 65 TRP H 2 65 TRP HB3 . . 3.890 2.876 2.320 3.841 . 0 0 "[ . 1 . 2]" 1
1520 2 65 TRP H 2 65 TRP HD1 . . 5.500 4.221 1.784 5.663 0.163 18 0 "[ . 1 . 2]" 1
1521 2 65 TRP H 2 66 LEU H . . 4.660 4.113 2.556 4.635 . 0 0 "[ . 1 . 2]" 1
1522 2 65 TRP HA 2 65 TRP HE3 . . 5.500 3.796 1.961 5.181 . 0 0 "[ . 1 . 2]" 1
1523 2 65 TRP HA 2 66 LEU H . . 3.490 2.728 2.161 3.567 0.077 17 0 "[ . 1 . 2]" 1
1524 2 65 TRP QB 2 66 LEU H . . 4.040 2.947 1.788 3.748 . 0 0 "[ . 1 . 2]" 1
1525 2 65 TRP HB2 2 66 LEU H . . 4.200 3.558 2.237 4.214 0.014 7 0 "[ . 1 . 2]" 1
1526 2 65 TRP HB3 2 66 LEU H . . 4.200 3.455 1.794 4.215 0.015 5 0 "[ . 1 . 2]" 1
1527 2 65 TRP HD1 2 66 LEU MD1 . . 6.530 4.489 1.780 6.555 0.025 12 0 "[ . 1 . 2]" 1
1528 2 65 TRP HD1 2 66 LEU QD . . 5.960 3.683 1.777 5.576 . 0 0 "[ . 1 . 2]" 1
1529 2 65 TRP HD1 2 66 LEU MD2 . . 6.530 4.321 2.058 6.563 0.033 3 0 "[ . 1 . 2]" 1
1530 2 65 TRP HE1 2 66 LEU QB . . 6.380 5.037 3.135 6.160 . 0 0 "[ . 1 . 2]" 1
1531 2 65 TRP HE1 2 66 LEU MD1 . . 6.060 4.266 2.935 6.067 0.007 12 0 "[ . 1 . 2]" 1
1532 2 65 TRP HE1 2 66 LEU QD . . 5.350 3.563 2.749 4.958 . 0 0 "[ . 1 . 2]" 1
1533 2 65 TRP HE1 2 66 LEU MD2 . . 6.060 4.263 2.771 6.100 0.040 14 0 "[ . 1 . 2]" 1
1534 2 65 TRP HZ2 2 66 LEU MD1 . . 6.530 4.669 3.415 6.539 0.009 4 0 "[ . 1 . 2]" 1
1535 2 65 TRP HZ2 2 66 LEU QD . . 5.830 3.986 2.861 5.571 . 0 0 "[ . 1 . 2]" 1
1536 2 65 TRP HZ2 2 66 LEU MD2 . . 6.530 4.783 3.071 6.560 0.030 18 0 "[ . 1 . 2]" 1
1537 2 66 LEU H 2 66 LEU QB . . 3.920 2.901 2.237 3.412 . 0 0 "[ . 1 . 2]" 1
1538 2 66 LEU H 2 66 LEU MD1 . . 5.720 3.752 2.456 4.628 . 0 0 "[ . 1 . 2]" 1
1539 2 66 LEU H 2 66 LEU MD2 . . 5.720 3.731 2.019 5.070 . 0 0 "[ . 1 . 2]" 1
1540 2 66 LEU H 2 66 LEU HG . . 5.500 3.842 2.218 4.914 . 0 0 "[ . 1 . 2]" 1
1541 2 66 LEU H 2 67 GLN H . . 3.890 2.927 2.496 3.987 0.097 8 0 "[ . 1 . 2]" 1
1542 2 66 LEU HA 2 66 LEU MD1 . . 4.700 2.819 1.819 3.871 . 0 0 "[ . 1 . 2]" 1
1543 2 66 LEU HA 2 66 LEU QD . . 4.080 2.038 1.795 2.994 . 0 0 "[ . 1 . 2]" 1
1544 2 66 LEU HA 2 66 LEU MD2 . . 4.700 2.819 1.901 3.904 . 0 0 "[ . 1 . 2]" 1
1545 2 66 LEU QB 2 67 GLN H . . 4.490 3.343 2.509 3.776 . 0 0 "[ . 1 . 2]" 1
1546 2 66 LEU HB2 2 67 GLN H . . 4.630 3.833 2.805 4.586 . 0 0 "[ . 1 . 2]" 1
1547 2 66 LEU HB3 2 67 GLN H . . 4.630 3.879 2.541 4.437 . 0 0 "[ . 1 . 2]" 1
1548 2 66 LEU QD 2 67 GLN H . . 5.840 4.128 3.074 4.458 . 0 0 "[ . 1 . 2]" 1
1549 2 66 LEU MD1 2 67 GLN H . . 6.190 4.798 3.179 5.548 . 0 0 "[ . 1 . 2]" 1
1550 2 66 LEU MD2 2 67 GLN H . . 6.190 4.684 3.959 5.563 . 0 0 "[ . 1 . 2]" 1
1551 2 66 LEU HG 2 67 GLN H . . 5.500 4.872 3.638 5.570 0.070 2 0 "[ . 1 . 2]" 1
1552 2 67 GLN H 2 67 GLN HB2 . . 4.110 2.781 2.223 3.595 . 0 0 "[ . 1 . 2]" 1
1553 2 67 GLN H 2 67 GLN HB3 . . 4.110 3.096 2.563 4.050 . 0 0 "[ . 1 . 2]" 1
1554 2 67 GLN H 2 67 GLN HG2 . . 5.500 4.103 2.397 5.024 . 0 0 "[ . 1 . 2]" 1
1555 2 67 GLN H 2 67 GLN HG3 . . 5.500 4.133 2.380 4.846 . 0 0 "[ . 1 . 2]" 1
1556 2 67 GLN QB 2 68 THR H . . 4.370 2.867 1.865 3.998 . 0 0 "[ . 1 . 2]" 1
1557 2 67 GLN HB2 2 67 GLN HE22 . . 5.500 4.134 3.136 5.120 . 0 0 "[ . 1 . 2]" 1
1558 2 67 GLN HB2 2 68 THR H . . 4.880 3.691 1.922 4.528 . 0 0 "[ . 1 . 2]" 1
1559 2 67 GLN HB3 2 67 GLN HE22 . . 5.500 3.789 3.345 5.062 . 0 0 "[ . 1 . 2]" 1
1560 2 67 GLN HB3 2 68 THR H . . 4.880 3.133 1.881 4.467 . 0 0 "[ . 1 . 2]" 1
1561 2 67 GLN HG2 2 68 THR H . . 5.500 3.610 1.796 5.125 . 0 0 "[ . 1 . 2]" 1
1562 2 67 GLN HG3 2 68 THR H . . 5.500 3.798 1.788 4.995 . 0 0 "[ . 1 . 2]" 1
1563 2 68 THR H 2 68 THR HB . . 3.890 3.121 2.563 3.735 . 0 0 "[ . 1 . 2]" 1
1564 2 68 THR H 2 68 THR MG . . 4.510 3.017 1.899 4.092 . 0 0 "[ . 1 . 2]" 1
1565 2 68 THR H 2 69 GLY H . . 5.500 3.542 1.841 4.596 . 0 0 "[ . 1 . 2]" 1
1566 2 68 THR HB 2 69 GLY H . . 4.290 3.773 1.929 4.401 0.111 19 0 "[ . 1 . 2]" 1
1567 2 68 THR MG 2 69 GLY H . . 6.530 3.148 1.671 4.266 . 0 0 "[ . 1 . 2]" 1
1568 2 68 THR MG 2 71 GLU HG2 . . 5.440 4.446 2.012 5.459 0.019 18 0 "[ . 1 . 2]" 1
1569 2 68 THR MG 2 71 GLU QG . . 5.310 3.740 1.997 4.827 . 0 0 "[ . 1 . 2]" 1
1570 2 68 THR MG 2 71 GLU HG3 . . 5.440 4.281 2.583 5.638 0.198 7 0 "[ . 1 . 2]" 1
1571 2 70 ASP H 2 71 GLU H . . 4.410 2.790 1.809 4.365 . 0 0 "[ . 1 . 2]" 1
1572 2 70 ASP HA 2 72 ILE H . . 5.030 3.941 2.839 5.054 0.024 3 0 "[ . 1 . 2]" 1
1573 2 70 ASP QB 2 71 GLU H . . 4.200 2.987 2.096 3.826 . 0 0 "[ . 1 . 2]" 1
1574 2 70 ASP HB2 2 71 GLU H . . 4.350 3.860 3.284 4.433 0.083 12 0 "[ . 1 . 2]" 1
1575 2 70 ASP HB3 2 71 GLU H . . 4.350 3.248 2.110 4.443 0.093 3 0 "[ . 1 . 2]" 1
1576 2 71 GLU H 2 71 GLU HB2 . . 3.670 3.208 2.395 3.866 0.196 20 0 "[ . 1 . 2]" 1
1577 2 71 GLU H 2 71 GLU QB . . 3.490 2.838 2.341 3.329 . 0 0 "[ . 1 . 2]" 1
1578 2 71 GLU H 2 71 GLU HB3 . . 3.670 3.445 2.513 3.983 0.313 18 0 "[ . 1 . 2]" 1
1579 2 71 GLU H 2 71 GLU HG2 . . 5.500 3.210 1.902 4.702 . 0 0 "[ . 1 . 2]" 1
1580 2 71 GLU H 2 71 GLU HG3 . . 5.500 3.017 1.776 4.471 . 0 0 "[ . 1 . 2]" 1
1581 2 71 GLU H 2 72 ILE H . . 4.110 2.971 2.315 4.116 0.006 15 0 "[ . 1 . 2]" 1
1582 2 71 GLU HA 2 72 ILE H . . 3.640 2.932 2.270 3.522 . 0 0 "[ . 1 . 2]" 1
1583 2 72 ILE H 2 72 ILE HB . . 3.860 2.763 2.422 3.564 . 0 0 "[ . 1 . 2]" 1
1584 2 72 ILE H 2 72 ILE MD . . 5.410 3.942 3.012 4.992 . 0 0 "[ . 1 . 2]" 1
1585 2 72 ILE HA 2 73 LYS H . . 3.170 2.274 2.123 3.243 0.073 11 0 "[ . 1 . 2]" 1
1586 2 72 ILE HB 2 73 LYS H . . 4.850 4.265 3.808 4.506 . 0 0 "[ . 1 . 2]" 1
1587 2 72 ILE QG 2 73 LYS H . . 6.010 3.607 1.748 4.826 . 0 0 "[ . 1 . 2]" 1
1588 2 72 ILE MG 2 73 LYS H . . 4.790 3.562 2.900 4.219 . 0 0 "[ . 1 . 2]" 1
1589 2 72 ILE MG 2 73 LYS HA . . 6.060 4.270 3.331 5.335 . 0 0 "[ . 1 . 2]" 1
1590 2 73 LYS H 2 73 LYS HB2 . . 3.890 2.553 2.171 3.244 . 0 0 "[ . 1 . 2]" 1
1591 2 73 LYS H 2 73 LYS QB . . 3.660 2.435 2.143 2.965 . 0 0 "[ . 1 . 2]" 1
1592 2 73 LYS H 2 73 LYS HB3 . . 3.890 3.320 2.597 3.754 . 0 0 "[ . 1 . 2]" 1
1593 2 73 LYS H 2 73 LYS HG2 . . 5.500 3.682 2.048 5.298 . 0 0 "[ . 1 . 2]" 1
1594 2 73 LYS H 2 73 LYS HG3 . . 5.500 4.211 3.532 4.948 . 0 0 "[ . 1 . 2]" 1
1595 2 73 LYS H 2 74 HIS H . . 4.690 4.189 2.333 4.622 . 0 0 "[ . 1 . 2]" 1
1596 2 73 LYS HA 2 73 LYS HD2 . . 5.500 3.193 1.807 4.521 . 0 0 "[ . 1 . 2]" 1
1597 2 73 LYS HA 2 73 LYS HD3 . . 5.500 3.103 1.767 4.833 . 0 0 "[ . 1 . 2]" 1
1598 2 73 LYS HA 2 74 HIS H . . 3.050 2.253 1.990 2.880 . 0 0 "[ . 1 . 2]" 1
1599 2 73 LYS QB 2 74 HIS H . . 4.280 3.431 2.496 3.938 . 0 0 "[ . 1 . 2]" 1
1600 2 73 LYS HB2 2 74 HIS H . . 4.510 4.238 3.840 4.518 0.008 10 0 "[ . 1 . 2]" 1
1601 2 73 LYS HB3 2 74 HIS H . . 4.510 3.679 2.529 4.386 . 0 0 "[ . 1 . 2]" 1
1602 2 73 LYS HD2 2 74 HIS H . . 5.500 4.288 2.632 5.515 0.015 14 0 "[ . 1 . 2]" 1
1603 2 73 LYS HD3 2 74 HIS H . . 5.500 4.391 3.316 5.654 0.154 15 0 "[ . 1 . 2]" 1
1604 2 73 LYS QG 2 74 HIS H . . 6.380 3.769 1.883 4.822 . 0 0 "[ . 1 . 2]" 1
1605 2 74 HIS H 2 74 HIS HB2 . . 3.830 3.382 2.314 3.963 0.133 9 0 "[ . 1 . 2]" 1
1606 2 74 HIS H 2 74 HIS HB3 . . 3.830 3.151 2.527 3.783 . 0 0 "[ . 1 . 2]" 1
1607 2 74 HIS H 2 74 HIS HD2 . . 5.500 3.977 2.406 5.321 . 0 0 "[ . 1 . 2]" 1
1608 2 74 HIS H 2 75 ALA H . . 4.540 4.016 1.753 4.558 0.018 17 0 "[ . 1 . 2]" 1
1609 2 74 HIS HA 2 75 ALA H . . 3.240 2.544 2.096 3.371 0.131 7 0 "[ . 1 . 2]" 1
1610 2 74 HIS HA 2 75 ALA MB . . 5.350 4.209 3.961 4.718 . 0 0 "[ . 1 . 2]" 1
1611 2 74 HIS QB 2 75 ALA H . . 4.590 2.693 1.722 3.321 . 0 0 "[ . 1 . 2]" 1
1612 2 74 HIS QB 2 81 VAL QG . . 7.230 3.520 1.857 4.973 . 0 0 "[ . 1 . 2]" 1
1613 2 74 HIS HB2 2 75 ALA H . . 4.880 3.198 2.118 4.106 . 0 0 "[ . 1 . 2]" 1
1614 2 74 HIS HB3 2 75 ALA H . . 4.880 3.426 1.728 4.296 . 0 0 "[ . 1 . 2]" 1
1615 2 75 ALA H 2 76 ASP H . . 4.510 4.416 3.648 4.584 0.074 12 0 "[ . 1 . 2]" 1
1616 2 75 ALA H 2 78 CYS H . . 5.500 4.999 4.460 5.521 0.021 14 0 "[ . 1 . 2]" 1
1617 2 75 ALA H 2 78 CYS QB . . 5.480 4.337 3.600 5.201 . 0 0 "[ . 1 . 2]" 1
1618 2 75 ALA H 2 81 VAL QG . . 8.090 4.186 2.479 6.038 . 0 0 "[ . 1 . 2]" 1
1619 2 75 ALA HA 2 76 ASP H . . 2.930 2.212 2.136 2.462 . 0 0 "[ . 1 . 2]" 1
1620 2 75 ALA HA 2 77 ASP H . . 4.230 3.683 3.288 4.155 . 0 0 "[ . 1 . 2]" 1
1621 2 75 ALA MB 2 77 ASP H . . 5.040 2.706 2.267 3.316 . 0 0 "[ . 1 . 2]" 1
1622 2 75 ALA MB 2 78 CYS H . . 5.130 3.191 2.748 4.075 . 0 0 "[ . 1 . 2]" 1
1623 2 75 ALA MB 2 78 CYS QB . . 6.730 3.276 1.746 3.813 . 0 0 "[ . 1 . 2]" 1
1624 2 76 ASP H 2 76 ASP HB2 . . 3.450 2.475 2.301 2.846 . 0 0 "[ . 1 . 2]" 1
1625 2 76 ASP H 2 76 ASP QB . . 3.240 2.313 2.217 2.484 . 0 0 "[ . 1 . 2]" 1
1626 2 76 ASP H 2 76 ASP HB3 . . 3.450 3.005 2.452 3.579 0.129 6 0 "[ . 1 . 2]" 1
1627 2 76 ASP H 2 77 ASP H . . 3.670 2.423 2.022 2.648 . 0 0 "[ . 1 . 2]" 1
1628 2 76 ASP H 2 78 CYS H . . 4.320 4.154 3.766 4.380 0.060 1 0 "[ . 1 . 2]" 1
1629 2 76 ASP HA 2 77 ASP H . . 3.490 3.341 3.174 3.450 . 0 0 "[ . 1 . 2]" 1
1630 2 76 ASP HA 2 78 CYS H . . 4.070 3.531 3.073 3.973 . 0 0 "[ . 1 . 2]" 1
1631 2 76 ASP HA 2 81 VAL MG1 . . 5.940 2.849 1.976 4.470 . 0 0 "[ . 1 . 2]" 1
1632 2 76 ASP HA 2 81 VAL QG . . 5.280 2.185 1.751 2.885 . 0 0 "[ . 1 . 2]" 1
1633 2 76 ASP HA 2 81 VAL MG2 . . 5.940 2.605 1.789 3.841 . 0 0 "[ . 1 . 2]" 1
1634 2 76 ASP HB2 2 77 ASP H . . 4.070 3.777 3.066 4.169 0.099 3 0 "[ . 1 . 2]" 1
1635 2 76 ASP HB3 2 77 ASP H . . 4.070 3.580 2.947 4.211 0.141 1 0 "[ . 1 . 2]" 1
1636 2 77 ASP H 2 77 ASP HB2 . . 3.800 2.662 2.338 3.653 . 0 0 "[ . 1 . 2]" 1
1637 2 77 ASP H 2 77 ASP HB3 . . 3.800 3.116 2.365 3.672 . 0 0 "[ . 1 . 2]" 1
1638 2 77 ASP H 2 78 CYS H . . 3.270 2.464 2.300 2.593 . 0 0 "[ . 1 . 2]" 1
1639 2 77 ASP H 2 81 VAL QG . . 7.410 4.308 3.625 4.646 . 0 0 "[ . 1 . 2]" 1
1640 2 77 ASP HA 2 81 VAL QG . . 7.990 4.929 4.067 5.701 . 0 0 "[ . 1 . 2]" 1
1641 2 77 ASP QB 2 78 CYS H . . 3.850 3.292 2.976 3.833 . 0 0 "[ . 1 . 2]" 1
1642 2 77 ASP HB2 2 78 CYS H . . 4.260 3.786 3.081 4.336 0.076 1 0 "[ . 1 . 2]" 1
1643 2 77 ASP HB3 2 78 CYS H . . 4.260 3.892 3.113 4.308 0.048 14 0 "[ . 1 . 2]" 1
1644 2 78 CYS H 2 78 CYS HB2 . . 3.640 2.681 2.418 3.678 0.038 12 0 "[ . 1 . 2]" 1
1645 2 78 CYS H 2 78 CYS QB . . 3.460 2.452 2.259 2.648 . 0 0 "[ . 1 . 2]" 1
1646 2 78 CYS H 2 78 CYS HB3 . . 3.640 3.366 2.540 3.664 0.024 5 0 "[ . 1 . 2]" 1
1647 2 78 CYS H 2 81 VAL H . . 4.910 4.609 4.345 4.982 0.072 7 0 "[ . 1 . 2]" 1
1648 2 78 CYS H 2 81 VAL QG . . 6.540 3.336 2.674 3.728 . 0 0 "[ . 1 . 2]" 1
1649 2 78 CYS QB 2 81 VAL H . . 5.790 3.296 2.766 4.317 . 0 0 "[ . 1 . 2]" 1
1650 2 78 CYS QB 2 81 VAL QG . . 7.510 2.684 1.770 4.013 . 0 0 "[ . 1 . 2]" 1
1651 2 79 PRO HA 2 82 ILE H . . 4.010 3.376 3.022 4.011 0.001 16 0 "[ . 1 . 2]" 1
1652 2 79 PRO HA 2 82 ILE MD . . 6.190 4.547 3.487 5.944 . 0 0 "[ . 1 . 2]" 1
1653 2 79 PRO HA 2 82 ILE MG . . 5.130 3.259 1.898 5.132 0.002 5 0 "[ . 1 . 2]" 1
1654 2 79 PRO HA 2 83 ALA H . . 4.940 4.173 3.577 4.948 0.008 5 0 "[ . 1 . 2]" 1
1655 2 79 PRO QB 2 82 ILE MG . . 7.410 4.057 3.152 5.265 . 0 0 "[ . 1 . 2]" 1
1656 2 80 VAL H 2 80 VAL HB . . 3.550 2.726 2.472 3.627 0.077 8 0 "[ . 1 . 2]" 1
1657 2 80 VAL H 2 80 VAL QG . . 4.080 1.993 1.838 2.251 . 0 0 "[ . 1 . 2]" 1
1658 2 80 VAL H 2 81 VAL H . . 3.360 2.652 2.431 2.763 . 0 0 "[ . 1 . 2]" 1
1659 2 80 VAL H 2 81 VAL QG . . 6.880 3.822 3.516 4.160 . 0 0 "[ . 1 . 2]" 1
1660 2 80 VAL H 2 82 ILE H . . 5.100 4.235 3.899 4.648 . 0 0 "[ . 1 . 2]" 1
1661 2 80 VAL HA 2 82 ILE H . . 4.760 4.519 4.187 4.765 0.005 10 0 "[ . 1 . 2]" 1
1662 2 80 VAL HA 2 83 ALA H . . 4.110 3.633 3.221 3.859 . 0 0 "[ . 1 . 2]" 1
1663 2 80 VAL HA 2 83 ALA MB . . 4.880 2.806 2.118 3.194 . 0 0 "[ . 1 . 2]" 1
1664 2 80 VAL HB 2 81 VAL H . . 3.980 2.866 2.470 3.973 . 0 0 "[ . 1 . 2]" 1
1665 2 80 VAL HB 2 81 VAL QG . . 6.410 3.336 2.945 4.516 . 0 0 "[ . 1 . 2]" 1
1666 2 80 VAL QG 2 81 VAL H . . 5.430 3.115 2.286 3.387 . 0 0 "[ . 1 . 2]" 1
1667 2 80 VAL QG 2 81 VAL HA . . 8.090 3.433 3.104 3.770 . 0 0 "[ . 1 . 2]" 1
1668 2 80 VAL QG 2 83 ALA H . . 7.750 4.514 4.130 4.700 . 0 0 "[ . 1 . 2]" 1
1669 2 80 VAL QG 2 83 ALA MB . . 9.020 3.536 2.877 3.906 . 0 0 "[ . 1 . 2]" 1
1670 2 80 VAL QG 2 84 LYS H . . 7.990 4.200 3.592 5.161 . 0 0 "[ . 1 . 2]" 1
1671 2 80 VAL QG 2 84 LYS QD . . 6.390 3.289 2.343 5.229 . 0 0 "[ . 1 . 2]" 1
1672 2 80 VAL QG 2 84 LYS QE . . 6.390 3.062 1.941 5.201 . 0 0 "[ . 1 . 2]" 1
1673 2 80 VAL QG 2 84 LYS QG . . 7.290 3.368 2.424 4.332 . 0 0 "[ . 1 . 2]" 1
1674 2 80 VAL MG1 2 81 VAL H . . 5.970 3.611 3.310 4.037 . 0 0 "[ . 1 . 2]" 1
1675 2 80 VAL MG1 2 84 LYS HD2 . . 8.310 3.938 2.425 7.562 . 0 0 "[ . 1 . 2]" 1
1676 2 80 VAL MG1 2 84 LYS HD3 . . 8.310 4.495 2.377 7.340 . 0 0 "[ . 1 . 2]" 1
1677 2 80 VAL MG2 2 81 VAL H . . 5.970 3.590 2.299 3.981 . 0 0 "[ . 1 . 2]" 1
1678 2 80 VAL MG2 2 84 LYS HD2 . . 8.310 5.942 4.374 7.720 . 0 0 "[ . 1 . 2]" 1
1679 2 80 VAL MG2 2 84 LYS HD3 . . 8.310 6.493 3.975 7.704 . 0 0 "[ . 1 . 2]" 1
1680 2 81 VAL H 2 81 VAL HB . . 3.580 2.668 2.467 3.620 0.040 7 0 "[ . 1 . 2]" 1
1681 2 81 VAL H 2 81 VAL MG1 . . 4.790 3.541 2.212 3.781 . 0 0 "[ . 1 . 2]" 1
1682 2 81 VAL H 2 81 VAL MG2 . . 4.790 2.123 1.877 3.761 . 0 0 "[ . 1 . 2]" 1
1683 2 81 VAL H 2 82 ILE H . . 3.210 2.593 2.447 2.817 . 0 0 "[ . 1 . 2]" 1
1684 2 81 VAL H 2 83 ALA H . . 4.410 4.099 3.891 4.303 . 0 0 "[ . 1 . 2]" 1
1685 2 81 VAL HA 2 84 LYS H . . 4.070 3.556 3.152 3.969 . 0 0 "[ . 1 . 2]" 1
1686 2 81 VAL HA 2 84 LYS QB . . 5.020 3.218 2.270 4.463 . 0 0 "[ . 1 . 2]" 1
1687 2 81 VAL HA 2 84 LYS QD . . 5.790 2.833 1.958 4.598 . 0 0 "[ . 1 . 2]" 1
1688 2 81 VAL HB 2 82 ILE H . . 3.550 2.748 2.412 3.766 0.216 18 0 "[ . 1 . 2]" 1
1689 2 81 VAL QG 2 82 ILE H . . 4.940 3.036 2.035 3.310 . 0 0 "[ . 1 . 2]" 1
1690 2 81 VAL QG 2 85 GLN QE . . 7.000 2.932 1.761 5.220 . 0 0 "[ . 1 . 2]" 1
1691 2 81 VAL QG 2 85 GLN QG . . 7.540 3.758 2.617 5.097 . 0 0 "[ . 1 . 2]" 1
1692 2 81 VAL MG1 2 82 ILE H . . 5.260 3.470 2.045 3.970 . 0 0 "[ . 1 . 2]" 1
1693 2 81 VAL MG1 2 85 GLN HE21 . . 8.750 3.449 2.150 6.099 . 0 0 "[ . 1 . 2]" 1
1694 2 81 VAL MG1 2 85 GLN HE22 . . 8.750 3.732 1.769 5.855 . 0 0 "[ . 1 . 2]" 1
1695 2 81 VAL MG1 2 85 GLN HG2 . . 9.650 4.888 3.871 6.392 . 0 0 "[ . 1 . 2]" 1
1696 2 81 VAL MG1 2 85 GLN HG3 . . 9.650 4.318 2.764 6.170 . 0 0 "[ . 1 . 2]" 1
1697 2 81 VAL MG2 2 82 ILE H . . 5.260 3.577 2.055 3.858 . 0 0 "[ . 1 . 2]" 1
1698 2 81 VAL MG2 2 85 GLN HE21 . . 8.750 5.487 2.339 8.706 . 0 0 "[ . 1 . 2]" 1
1699 2 81 VAL MG2 2 85 GLN HE22 . . 8.750 5.687 2.819 8.380 . 0 0 "[ . 1 . 2]" 1
1700 2 81 VAL MG2 2 85 GLN HG2 . . 9.650 6.922 3.746 8.635 . 0 0 "[ . 1 . 2]" 1
1701 2 81 VAL MG2 2 85 GLN HG3 . . 9.650 6.323 2.711 8.535 . 0 0 "[ . 1 . 2]" 1
1702 2 82 ILE H 2 82 ILE HB . . 3.490 2.641 2.370 3.614 0.124 8 0 "[ . 1 . 2]" 1
1703 2 82 ILE H 2 82 ILE MD . . 5.100 3.633 2.798 4.380 . 0 0 "[ . 1 . 2]" 1
1704 2 82 ILE H 2 82 ILE HG12 . . 5.280 3.162 1.911 4.700 . 0 0 "[ . 1 . 2]" 1
1705 2 82 ILE H 2 82 ILE HG13 . . 5.280 3.799 1.853 4.634 . 0 0 "[ . 1 . 2]" 1
1706 2 82 ILE H 2 82 ILE MG . . 4.790 2.992 1.963 3.777 . 0 0 "[ . 1 . 2]" 1
1707 2 82 ILE H 2 83 ALA H . . 3.580 2.672 2.451 2.866 . 0 0 "[ . 1 . 2]" 1
1708 2 82 ILE H 2 84 LYS H . . 4.660 4.222 4.078 4.507 . 0 0 "[ . 1 . 2]" 1
1709 2 82 ILE HA 2 85 GLN H . . 4.140 3.457 2.987 3.692 . 0 0 "[ . 1 . 2]" 1
1710 2 82 ILE HA 2 85 GLN HB2 . . 4.380 2.893 2.223 3.652 . 0 0 "[ . 1 . 2]" 1
1711 2 82 ILE HA 2 85 GLN HB3 . . 4.380 3.843 2.400 4.429 0.049 5 0 "[ . 1 . 2]" 1
1712 2 82 ILE HA 2 85 GLN QG . . 6.380 3.804 2.701 4.885 . 0 0 "[ . 1 . 2]" 1
1713 2 82 ILE HB 2 83 ALA H . . 3.730 3.143 2.339 3.905 0.175 10 0 "[ . 1 . 2]" 1
1714 2 82 ILE MD 2 83 ALA H . . 6.530 4.296 2.388 4.739 . 0 0 "[ . 1 . 2]" 1
1715 2 82 ILE MD 2 85 GLN H . . 5.850 4.816 4.083 5.267 . 0 0 "[ . 1 . 2]" 1
1716 2 82 ILE MD 2 85 GLN HB2 . . 5.350 3.941 2.443 5.444 0.094 8 0 "[ . 1 . 2]" 1
1717 2 82 ILE MD 2 85 GLN QB . . 5.170 3.568 2.400 4.498 . 0 0 "[ . 1 . 2]" 1
1718 2 82 ILE MD 2 85 GLN HB3 . . 5.350 4.443 2.605 5.487 0.137 10 0 "[ . 1 . 2]" 1
1719 2 82 ILE MD 2 85 GLN HE21 . . 6.530 3.833 1.947 5.705 . 0 0 "[ . 1 . 2]" 1
1720 2 82 ILE MD 2 85 GLN HE22 . . 6.530 4.188 2.284 6.586 0.056 14 0 "[ . 1 . 2]" 1
1721 2 82 ILE MD 2 85 GLN QG . . 7.410 4.507 3.105 6.151 . 0 0 "[ . 1 . 2]" 1
1722 2 82 ILE MD 2 86 ILE H . . 5.630 4.911 3.475 5.713 0.083 4 0 "[ . 1 . 2]" 1
1723 2 82 ILE QG 2 83 ALA H . . 5.850 3.764 1.869 4.522 . 0 0 "[ . 1 . 2]" 1
1724 2 82 ILE MG 2 83 ALA H . . 4.300 2.909 1.947 4.088 . 0 0 "[ . 1 . 2]" 1
1725 2 82 ILE MG 2 85 GLN QB . . 7.410 4.133 3.471 4.988 . 0 0 "[ . 1 . 2]" 1
1726 2 83 ALA H 2 84 LYS H . . 3.730 2.768 2.647 2.894 . 0 0 "[ . 1 . 2]" 1
1727 2 83 ALA HA 2 86 ILE H . . 4.510 3.386 3.072 3.603 . 0 0 "[ . 1 . 2]" 1
1728 2 83 ALA HA 2 86 ILE MD . . 5.010 2.512 2.020 4.546 . 0 0 "[ . 1 . 2]" 1
1729 2 83 ALA HA 2 86 ILE MG . . 4.880 4.116 3.730 4.561 . 0 0 "[ . 1 . 2]" 1
1730 2 83 ALA HA 2 87 LEU H . . 4.410 4.225 3.781 4.466 0.056 7 0 "[ . 1 . 2]" 1
1731 2 84 LYS H 2 84 LYS HB2 . . 3.580 2.775 2.181 3.629 0.049 12 0 "[ . 1 . 2]" 1
1732 2 84 LYS H 2 84 LYS QB . . 3.390 2.416 2.160 2.697 . 0 0 "[ . 1 . 2]" 1
1733 2 84 LYS H 2 84 LYS HB3 . . 3.580 3.272 2.381 3.607 0.027 20 0 "[ . 1 . 2]" 1
1734 2 84 LYS H 2 84 LYS HD2 . . 5.500 4.063 2.345 4.848 . 0 0 "[ . 1 . 2]" 1
1735 2 84 LYS H 2 84 LYS QD . . 5.230 3.688 2.172 4.278 . 0 0 "[ . 1 . 2]" 1
1736 2 84 LYS H 2 84 LYS HD3 . . 5.500 4.378 2.564 5.089 . 0 0 "[ . 1 . 2]" 1
1737 2 84 LYS H 2 84 LYS HG2 . . 5.470 3.134 2.054 4.090 . 0 0 "[ . 1 . 2]" 1
1738 2 84 LYS H 2 84 LYS QG . . 4.980 2.433 1.992 3.648 . 0 0 "[ . 1 . 2]" 1
1739 2 84 LYS H 2 84 LYS HG3 . . 5.470 2.912 2.010 4.100 . 0 0 "[ . 1 . 2]" 1
1740 2 84 LYS H 2 85 GLN H . . 3.360 2.667 2.521 2.852 . 0 0 "[ . 1 . 2]" 1
1741 2 84 LYS HA 2 84 LYS HD2 . . 5.500 4.419 2.364 4.904 . 0 0 "[ . 1 . 2]" 1
1742 2 84 LYS HA 2 84 LYS HD3 . . 5.500 4.417 2.084 5.542 0.042 6 0 "[ . 1 . 2]" 1
1743 2 84 LYS HA 2 87 LEU MD2 . . 4.640 2.220 1.809 2.670 . 0 0 "[ . 1 . 2]" 1
1744 2 84 LYS QB 2 85 GLN H . . 3.850 2.870 2.205 3.627 . 0 0 "[ . 1 . 2]" 1
1745 2 84 LYS QB 2 87 LEU MD2 . . 5.360 3.623 2.581 4.381 . 0 0 "[ . 1 . 2]" 1
1746 2 84 LYS HB2 2 85 GLN H . . 4.070 3.055 2.235 4.112 0.042 17 0 "[ . 1 . 2]" 1
1747 2 84 LYS HB3 2 85 GLN H . . 4.070 3.668 3.129 4.169 0.099 12 0 "[ . 1 . 2]" 1
1748 2 84 LYS HD2 2 85 GLN H . . 5.500 5.138 4.742 5.641 0.141 5 0 "[ . 1 . 2]" 1
1749 2 84 LYS HD3 2 85 GLN H . . 5.500 5.202 4.327 5.590 0.090 14 0 "[ . 1 . 2]" 1
1750 2 84 LYS HG2 2 85 GLN H . . 5.500 4.319 2.503 5.214 . 0 0 "[ . 1 . 2]" 1
1751 2 84 LYS HG3 2 85 GLN H . . 5.500 4.000 2.433 5.104 . 0 0 "[ . 1 . 2]" 1
1752 2 85 GLN H 2 85 GLN HB2 . . 3.390 2.360 2.120 2.574 . 0 0 "[ . 1 . 2]" 1
1753 2 85 GLN H 2 85 GLN QB . . 3.150 2.269 2.099 2.385 . 0 0 "[ . 1 . 2]" 1
1754 2 85 GLN H 2 85 GLN HB3 . . 3.390 3.240 2.423 3.566 0.176 4 0 "[ . 1 . 2]" 1
1755 2 85 GLN H 2 85 GLN HG2 . . 5.500 3.947 3.399 4.611 . 0 0 "[ . 1 . 2]" 1
1756 2 85 GLN H 2 85 GLN HG3 . . 5.500 3.246 2.221 4.494 . 0 0 "[ . 1 . 2]" 1
1757 2 85 GLN H 2 86 ILE H . . 3.450 2.584 2.406 2.743 . 0 0 "[ . 1 . 2]" 1
1758 2 85 GLN H 2 86 ILE MD . . 6.530 5.196 5.050 5.418 . 0 0 "[ . 1 . 2]" 1
1759 2 85 GLN H 2 86 ILE QG . . 6.380 4.107 3.925 4.322 . 0 0 "[ . 1 . 2]" 1
1760 2 85 GLN HB2 2 86 ILE H . . 4.260 3.156 2.612 3.942 . 0 0 "[ . 1 . 2]" 1
1761 2 85 GLN HB3 2 86 ILE H . . 4.260 3.333 2.553 3.888 . 0 0 "[ . 1 . 2]" 1
1762 2 85 GLN HG2 2 86 ILE H . . 5.500 4.858 3.677 5.302 . 0 0 "[ . 1 . 2]" 1
1763 2 85 GLN HG3 2 86 ILE H . . 5.500 4.585 3.879 5.120 . 0 0 "[ . 1 . 2]" 1
1764 2 86 ILE H 2 86 ILE HB . . 3.170 2.491 2.420 2.559 . 0 0 "[ . 1 . 2]" 1
1765 2 86 ILE H 2 86 ILE MD . . 4.570 3.603 3.344 3.689 . 0 0 "[ . 1 . 2]" 1
1766 2 86 ILE H 2 86 ILE HG12 . . 5.500 3.414 2.260 3.580 . 0 0 "[ . 1 . 2]" 1
1767 2 86 ILE H 2 86 ILE HG13 . . 5.500 2.295 2.083 3.686 . 0 0 "[ . 1 . 2]" 1
1768 2 86 ILE H 2 87 LEU H . . 3.860 2.666 2.505 2.812 . 0 0 "[ . 1 . 2]" 1
1769 2 86 ILE H 2 88 SER H . . 4.170 3.897 3.721 4.067 . 0 0 "[ . 1 . 2]" 1
1770 2 86 ILE HA 2 86 ILE MD . . 4.760 3.731 2.016 3.841 . 0 0 "[ . 1 . 2]" 1
1771 2 86 ILE HA 2 88 SER H . . 4.110 3.958 3.706 4.174 0.064 4 0 "[ . 1 . 2]" 1
1772 2 86 ILE HB 2 87 LEU H . . 3.520 2.572 2.426 2.737 . 0 0 "[ . 1 . 2]" 1
1773 2 86 ILE MD 2 87 LEU H . . 6.530 4.571 4.467 4.729 . 0 0 "[ . 1 . 2]" 1
1774 2 86 ILE HG12 2 87 LEU H . . 5.500 4.948 4.261 5.049 . 0 0 "[ . 1 . 2]" 1
1775 2 86 ILE HG13 2 87 LEU H . . 5.500 4.316 4.196 5.008 . 0 0 "[ . 1 . 2]" 1
1776 2 86 ILE MG 2 87 LEU H . . 5.160 3.318 3.178 3.493 . 0 0 "[ . 1 . 2]" 1
1777 2 87 LEU H 2 87 LEU HB2 . . 3.800 3.624 3.601 3.639 . 0 0 "[ . 1 . 2]" 1
1778 2 87 LEU H 2 87 LEU HB3 . . 3.800 2.686 2.463 2.756 . 0 0 "[ . 1 . 2]" 1
1779 2 87 LEU H 2 87 LEU MD1 . . 5.040 3.467 3.330 3.878 . 0 0 "[ . 1 . 2]" 1
1780 2 87 LEU H 2 87 LEU MD2 . . 4.760 3.276 3.195 3.333 . 0 0 "[ . 1 . 2]" 1
1781 2 87 LEU H 2 87 LEU HG . . 5.500 2.079 1.936 2.537 . 0 0 "[ . 1 . 2]" 1
1782 2 87 LEU HA 2 87 LEU MD1 . . 4.230 3.640 3.554 3.666 . 0 0 "[ . 1 . 2]" 1
1783 2 87 LEU QB 2 88 SER H . . 4.030 3.759 3.615 3.909 . 0 0 "[ . 1 . 2]" 1
1784 2 87 LEU HB2 2 88 SER H . . 4.320 4.162 4.018 4.329 0.009 10 0 "[ . 1 . 2]" 1
1785 2 87 LEU HB3 2 88 SER H . . 4.320 4.286 3.994 4.452 0.132 10 0 "[ . 1 . 2]" 1
1786 2 87 LEU MD1 2 88 SER H . . 6.060 2.842 2.612 3.181 . 0 0 "[ . 1 . 2]" 1
1787 2 87 LEU MD2 2 88 SER H . . 6.250 4.523 4.130 4.924 . 0 0 "[ . 1 . 2]" 1
1788 2 87 LEU MD2 2 88 SER HA . . 5.690 5.458 5.191 5.639 . 0 0 "[ . 1 . 2]" 1
1789 2 87 LEU HG 2 88 SER H . . 5.500 3.021 2.495 3.579 . 0 0 "[ . 1 . 2]" 1
1790 2 88 SER H 2 88 SER HB2 . . 3.490 2.580 2.385 3.558 0.068 15 0 "[ . 1 . 2]" 1
1791 2 88 SER H 2 88 SER QB . . 3.130 2.361 2.253 2.473 . 0 0 "[ . 1 . 2]" 1
1792 2 88 SER H 2 88 SER HB3 . . 3.490 3.080 2.451 3.605 0.115 1 0 "[ . 1 . 2]" 1
1793 2 88 SER HB2 2 89 SER H . . 5.030 3.865 2.260 4.632 . 0 0 "[ . 1 . 2]" 1
1794 2 88 SER HB3 2 89 SER H . . 5.030 3.623 1.907 4.464 . 0 0 "[ . 1 . 2]" 1
1795 2 89 SER QB 2 90 ARG QG . . 6.880 4.544 2.912 5.334 . 0 0 "[ . 1 . 2]" 1
1796 2 90 ARG HA 2 90 ARG HD2 . . 5.500 4.382 2.035 5.520 0.020 9 0 "[ . 1 . 2]" 1
1797 2 90 ARG HA 2 90 ARG HD3 . . 5.500 4.286 2.016 5.523 0.023 8 0 "[ . 1 . 2]" 1
1798 2 90 ARG HA 2 91 PRO HD2 . . 3.050 2.537 2.087 3.010 . 0 0 "[ . 1 . 2]" 1
1799 2 90 ARG HA 2 91 PRO QD . . 2.840 1.985 1.756 2.359 . 0 0 "[ . 1 . 2]" 1
1800 2 90 ARG HA 2 91 PRO HD3 . . 3.050 2.175 1.781 2.844 . 0 0 "[ . 1 . 2]" 1
1801 2 90 ARG QB 2 91 PRO QD . . 6.220 3.267 2.033 3.862 . 0 0 "[ . 1 . 2]" 1
1802 2 90 ARG HB2 2 91 PRO HD2 . . 7.250 4.235 2.111 5.171 . 0 0 "[ . 1 . 2]" 1
1803 2 90 ARG HB2 2 91 PRO HD3 . . 7.250 4.321 2.766 5.032 . 0 0 "[ . 1 . 2]" 1
1804 2 90 ARG HB3 2 91 PRO HD2 . . 7.250 4.291 2.421 5.300 . 0 0 "[ . 1 . 2]" 1
1805 2 90 ARG HB3 2 91 PRO HD3 . . 7.250 4.374 3.274 4.925 . 0 0 "[ . 1 . 2]" 1
1806 2 91 PRO HA 2 92 LYS H . . 2.960 2.314 2.129 2.743 . 0 0 "[ . 1 . 2]" 1
1807 2 91 PRO HA 2 92 LYS QG . . 6.380 4.732 3.501 6.103 . 0 0 "[ . 1 . 2]" 1
1808 2 91 PRO QB 2 92 LYS H . . 4.240 3.244 1.858 3.908 . 0 0 "[ . 1 . 2]" 1
1809 2 91 PRO HB2 2 92 LYS H . . 4.480 3.576 1.868 4.311 . 0 0 "[ . 1 . 2]" 1
1810 2 91 PRO HB3 2 92 LYS H . . 4.480 3.885 3.231 4.543 0.063 14 0 "[ . 1 . 2]" 1
1811 2 92 LYS H 2 92 LYS QB . . 3.920 2.619 2.251 3.349 . 0 0 "[ . 1 . 2]" 1
1812 2 92 LYS H 2 92 LYS HG2 . . 5.500 3.744 2.049 4.806 . 0 0 "[ . 1 . 2]" 1
1813 2 92 LYS H 2 92 LYS HG3 . . 5.500 3.640 2.219 4.957 . 0 0 "[ . 1 . 2]" 1
1814 2 92 LYS HA 2 93 LEU H . . 3.210 2.461 2.124 3.287 0.077 12 0 "[ . 1 . 2]" 1
1815 2 92 LYS QB 2 93 LEU H . . 5.330 3.328 2.043 4.008 . 0 0 "[ . 1 . 2]" 1
1816 2 92 LYS QG 2 93 LEU H . . 6.380 3.761 2.518 4.789 . 0 0 "[ . 1 . 2]" 1
1817 2 93 LEU H 2 93 LEU HB2 . . 3.950 2.745 2.379 3.696 . 0 0 "[ . 1 . 2]" 1
1818 2 93 LEU H 2 93 LEU HB3 . . 3.950 3.382 2.450 3.783 . 0 0 "[ . 1 . 2]" 1
1819 2 93 LEU HA 2 93 LEU MD1 . . 4.450 3.022 1.993 3.882 . 0 0 "[ . 1 . 2]" 1
1820 2 93 LEU HA 2 93 LEU QD . . 3.940 2.446 1.932 3.153 . 0 0 "[ . 1 . 2]" 1
1821 2 93 LEU HA 2 93 LEU MD2 . . 4.450 3.284 1.938 3.899 . 0 0 "[ . 1 . 2]" 1
1822 2 93 LEU HA 2 93 LEU HG . . 4.200 2.880 2.382 4.277 0.077 20 0 "[ . 1 . 2]" 1
1823 2 93 LEU QB 2 94 HIS H . . 5.150 3.053 1.775 3.915 . 0 0 "[ . 1 . 2]" 1
1824 2 93 LEU HB2 2 94 HIS H . . 5.310 3.885 2.554 4.488 . 0 0 "[ . 1 . 2]" 1
1825 2 93 LEU HB3 2 94 HIS H . . 5.310 3.341 1.782 4.406 . 0 0 "[ . 1 . 2]" 1
1826 2 93 LEU QD 2 94 HIS H . . 8.100 3.267 2.046 4.433 . 0 0 "[ . 1 . 2]" 1
1827 2 93 LEU HG 2 94 HIS H . . 5.500 3.937 1.757 5.216 . 0 0 "[ . 1 . 2]" 1
1828 2 95 ALA H 2 96 VAL H . . 4.720 4.278 2.320 4.622 . 0 0 "[ . 1 . 2]" 1
1829 2 95 ALA HA 2 96 VAL H . . 2.930 2.308 2.117 2.971 0.041 7 0 "[ . 1 . 2]" 1
1830 2 96 VAL H 2 96 VAL HB . . 3.800 3.382 2.550 3.955 0.155 7 0 "[ . 1 . 2]" 1
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