Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425479 | 2gjf RC | 7102 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gjf
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 3361
_Distance_constraint_stats_list.Viol_count 4312
_Distance_constraint_stats_list.Viol_total 5054.252
_Distance_constraint_stats_list.Viol_max 0.946
_Distance_constraint_stats_list.Viol_rms 0.0303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 1.540 0.324 17 0 "[ . 1 . 2]"
1 9 LYS 3.350 0.324 17 0 "[ . 1 . 2]"
1 10 THR 0.577 0.235 15 0 "[ . 1 . 2]"
1 11 ILE 1.073 0.246 8 0 "[ . 1 . 2]"
1 12 PHE 9.304 0.946 1 7 "[+** . * 1 - . * *]"
1 13 VAL 12.408 0.946 1 7 "[+** . * 1 - . * *]"
1 14 ILE 5.560 0.518 3 1 "[ + . 1 . 2]"
1 15 VAL 2.892 0.466 8 0 "[ . 1 . 2]"
1 16 PRO 2.245 0.094 8 0 "[ . 1 . 2]"
1 17 THR 9.089 0.421 12 0 "[ . 1 . 2]"
1 18 ASN 8.369 0.695 15 6 "[ - * 1 * *+ * 2]"
1 19 GLU 1.863 0.110 4 0 "[ . 1 . 2]"
1 20 GLU 0.378 0.076 2 0 "[ . 1 . 2]"
1 21 GLN 17.555 0.695 15 6 "[ * * 1 * *+ - 2]"
1 22 VAL 5.948 0.282 6 0 "[ . 1 . 2]"
1 23 ALA 1.451 0.107 6 0 "[ . 1 . 2]"
1 24 PHE 9.627 0.413 16 0 "[ . 1 . 2]"
1 25 LEU 0.451 0.087 12 0 "[ . 1 . 2]"
1 26 GLU 3.870 0.155 5 0 "[ . 1 . 2]"
1 27 ALA 1.645 0.085 4 0 "[ . 1 . 2]"
1 28 LEU 16.903 0.413 16 0 "[ . 1 . 2]"
1 29 ALA 5.024 0.139 3 0 "[ . 1 . 2]"
1 30 LYS 6.192 0.650 12 8 "[*- .* **1 + . **]"
1 31 GLN 4.478 0.169 18 0 "[ . 1 . 2]"
1 32 ASP 1.450 0.103 7 0 "[ . 1 . 2]"
1 33 GLU 1.154 0.082 13 0 "[ . 1 . 2]"
1 34 LEU 2.022 0.059 11 0 "[ . 1 . 2]"
1 35 ASN 1.891 0.082 13 0 "[ . 1 . 2]"
1 36 PHE 1.185 0.043 3 0 "[ . 1 . 2]"
1 37 ASP 1.054 0.155 3 0 "[ . 1 . 2]"
1 38 TRP 3.073 0.155 3 0 "[ . 1 . 2]"
1 39 GLN 0.451 0.128 12 0 "[ . 1 . 2]"
1 40 ASN 1.410 0.113 15 0 "[ . 1 . 2]"
1 41 PRO 0.896 0.055 15 0 "[ . 1 . 2]"
1 42 PRO 0.189 0.155 5 0 "[ . 1 . 2]"
1 43 THR 0.541 0.047 2 0 "[ . 1 . 2]"
1 44 GLU 1.507 0.124 2 0 "[ . 1 . 2]"
1 45 PRO 0.832 0.268 17 0 "[ . 1 . 2]"
1 46 GLY 0.145 0.064 16 0 "[ . 1 . 2]"
1 47 GLN 2.991 0.167 2 0 "[ . 1 . 2]"
1 48 PRO 8.196 0.418 8 0 "[ . 1 . 2]"
1 49 VAL 6.169 0.418 8 0 "[ . 1 . 2]"
1 50 VAL 1.235 0.113 15 0 "[ . 1 . 2]"
1 51 ILE 1.162 0.074 8 0 "[ . 1 . 2]"
1 52 LEU 0.744 0.246 8 0 "[ . 1 . 2]"
1 53 ILE 0.634 0.051 4 0 "[ . 1 . 2]"
1 54 PRO 0.219 0.044 11 0 "[ . 1 . 2]"
1 55 SER 8.098 0.856 19 7 "[* - . * 1 * ** +2]"
1 56 ASP 6.638 0.856 19 7 "[* - . * 1 * ** +2]"
1 57 MET 1.537 0.050 17 0 "[ . 1 . 2]"
1 58 VAL 3.236 0.518 17 1 "[ . 1 . + 2]"
1 59 GLU 4.802 0.518 17 1 "[ . 1 . + 2]"
1 60 TRP 5.005 0.146 2 0 "[ . 1 . 2]"
1 61 PHE 6.281 0.136 2 0 "[ . 1 . 2]"
1 62 LEU 5.664 0.392 6 0 "[ . 1 . 2]"
1 63 GLU 1.626 0.156 17 0 "[ . 1 . 2]"
1 64 MET 1.649 0.075 18 0 "[ . 1 . 2]"
1 65 LEU 0.613 0.087 20 0 "[ . 1 . 2]"
1 66 LYS 0.641 0.055 11 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 10.063 0.502 20 1 "[ . 1 . +]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 10.862 0.535 18 1 "[ . 1 . + 2]"
1 71 PRO 2.336 0.123 12 0 "[ . 1 . 2]"
1 72 PHE 4.295 0.466 8 0 "[ . 1 . 2]"
1 73 THR 5.017 0.518 3 1 "[ + . 1 . 2]"
1 74 VAL 0.387 0.092 8 0 "[ . 1 . 2]"
1 75 TYR 1.045 0.159 10 0 "[ . 1 . 2]"
1 76 VAL 0.282 0.044 20 0 "[ . 1 . 2]"
1 77 GLU 0.756 0.093 15 0 "[ . 1 . 2]"
1 78 GLU 0.308 0.060 3 0 "[ . 1 . 2]"
2 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 SER 3.948 0.456 7 0 "[ . 1 . 2]"
2 9 LYS 5.446 0.456 7 0 "[ . 1 . 2]"
2 10 THR 0.445 0.135 6 0 "[ . 1 . 2]"
2 11 ILE 1.526 0.215 11 0 "[ . 1 . 2]"
2 12 PHE 4.375 0.909 14 1 "[ . 1 +. 2]"
2 13 VAL 3.732 0.909 14 1 "[ . 1 +. 2]"
2 14 ILE 5.429 0.380 9 0 "[ . 1 . 2]"
2 15 VAL 3.468 0.459 14 0 "[ . 1 . 2]"
2 16 PRO 2.456 0.094 1 0 "[ . 1 . 2]"
2 17 THR 6.037 0.434 10 0 "[ . 1 . 2]"
2 18 ASN 3.567 0.609 13 1 "[ . 1 + . 2]"
2 19 GLU 1.752 0.112 17 0 "[ . 1 . 2]"
2 20 GLU 0.163 0.036 16 0 "[ . 1 . 2]"
2 21 GLN 9.250 0.609 13 2 "[ . 1 + . - 2]"
2 22 VAL 5.671 0.286 12 0 "[ . 1 . 2]"
2 23 ALA 1.258 0.066 20 0 "[ . 1 . 2]"
2 24 PHE 4.768 0.187 15 0 "[ . 1 . 2]"
2 25 LEU 0.997 0.093 15 0 "[ . 1 . 2]"
2 26 GLU 3.299 0.087 11 0 "[ . 1 . 2]"
2 27 ALA 1.595 0.083 16 0 "[ . 1 . 2]"
2 28 LEU 7.984 0.139 4 0 "[ . 1 . 2]"
2 29 ALA 3.026 0.125 15 0 "[ . 1 . 2]"
2 30 LYS 6.060 0.641 17 7 "[ * *. - * * .*+ 2]"
2 31 GLN 4.154 0.139 4 0 "[ . 1 . 2]"
2 32 ASP 1.522 0.113 4 0 "[ . 1 . 2]"
2 33 GLU 1.211 0.089 4 0 "[ . 1 . 2]"
2 34 LEU 2.269 0.054 7 0 "[ . 1 . 2]"
2 35 ASN 1.626 0.089 4 0 "[ . 1 . 2]"
2 36 PHE 1.314 0.064 11 0 "[ . 1 . 2]"
2 37 ASP 1.440 0.156 4 0 "[ . 1 . 2]"
2 38 TRP 3.144 0.156 4 0 "[ . 1 . 2]"
2 39 GLN 0.586 0.221 9 0 "[ . 1 . 2]"
2 40 ASN 2.731 0.514 2 1 "[ + . 1 . 2]"
2 41 PRO 0.875 0.062 4 0 "[ . 1 . 2]"
2 42 PRO 0.033 0.033 14 0 "[ . 1 . 2]"
2 43 THR 0.621 0.043 14 0 "[ . 1 . 2]"
2 44 GLU 1.147 0.070 10 0 "[ . 1 . 2]"
2 45 PRO 1.367 0.286 12 0 "[ . 1 . 2]"
2 46 GLY 0.544 0.219 6 0 "[ . 1 . 2]"
2 47 GLN 3.065 0.668 11 1 "[ . 1+ . 2]"
2 48 PRO 6.629 0.381 15 0 "[ . 1 . 2]"
2 49 VAL 5.102 0.381 15 0 "[ . 1 . 2]"
2 50 VAL 2.511 0.514 2 1 "[ + . 1 . 2]"
2 51 ILE 1.845 0.145 15 0 "[ . 1 . 2]"
2 52 LEU 1.412 0.221 9 0 "[ . 1 . 2]"
2 53 ILE 0.712 0.050 6 0 "[ . 1 . 2]"
2 54 PRO 0.238 0.041 3 0 "[ . 1 . 2]"
2 55 SER 7.283 0.850 9 6 "[ * . +1 - .** *]"
2 56 ASP 5.682 0.850 9 6 "[ * . +1 - .** *]"
2 57 MET 1.645 0.064 11 0 "[ . 1 . 2]"
2 58 VAL 2.591 0.486 14 0 "[ . 1 . 2]"
2 59 GLU 6.922 0.581 2 3 "[*+ -. 1 . 2]"
2 60 TRP 5.181 0.145 14 0 "[ . 1 . 2]"
2 61 PHE 6.653 0.145 14 0 "[ . 1 . 2]"
2 62 LEU 8.079 0.872 9 5 "[** -. +1 . * 2]"
2 63 GLU 4.005 0.872 9 2 "[ . +1 . - 2]"
2 64 MET 2.307 0.120 18 0 "[ . 1 . 2]"
2 65 LEU 1.107 0.128 9 0 "[ . 1 . 2]"
2 66 LYS 1.089 0.090 1 0 "[ . 1 . 2]"
2 67 ALA 0.021 0.021 9 0 "[ . 1 . 2]"
2 68 LYS 1.788 0.086 7 0 "[ . 1 . 2]"
2 69 GLY 0.016 0.013 16 0 "[ . 1 . 2]"
2 70 ILE 9.247 0.526 18 1 "[ . 1 . + 2]"
2 71 PRO 1.847 0.106 13 0 "[ . 1 . 2]"
2 72 PHE 5.594 0.459 14 0 "[ . 1 . 2]"
2 73 THR 2.055 0.380 9 0 "[ . 1 . 2]"
2 74 VAL 0.445 0.057 19 0 "[ . 1 . 2]"
2 75 TYR 0.659 0.076 14 0 "[ . 1 . 2]"
2 76 VAL 0.468 0.037 1 0 "[ . 1 . 2]"
2 77 GLU 0.996 0.064 8 0 "[ . 1 . 2]"
2 78 GLU 0.521 0.063 5 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 7 GLY QA 1 8 SER H . . 3.370 2.343 2.119 2.864 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER HB2 1 9 LYS H . . 4.550 4.352 3.833 4.590 0.040 13 0 "[ . 1 . 2]" 1
3 1 8 SER HA 1 9 LYS H . . 3.090 2.322 2.152 2.938 . 0 0 "[ . 1 . 2]" 1
4 1 8 SER H 1 9 LYS H . . 4.310 3.812 2.682 4.310 0.000 19 0 "[ . 1 . 2]" 1
5 1 8 SER HB3 1 9 LYS H . . 4.210 4.177 3.765 4.534 0.324 17 0 "[ . 1 . 2]" 1
6 1 8 SER HA 1 76 VAL HA . . 5.350 5.334 5.219 5.382 0.032 12 0 "[ . 1 . 2]" 1
7 1 9 LYS H 1 9 LYS HB2 . . 3.740 2.441 2.224 2.941 . 0 0 "[ . 1 . 2]" 1
8 1 9 LYS H 1 9 LYS QE . . 4.810 4.264 2.804 4.838 0.028 13 0 "[ . 1 . 2]" 1
9 1 9 LYS HB2 1 9 LYS QE . . 4.940 2.977 1.993 4.027 . 0 0 "[ . 1 . 2]" 1
10 1 9 LYS QE 1 9 LYS HG2 . . 3.300 2.771 1.984 3.436 0.136 12 0 "[ . 1 . 2]" 1
11 1 9 LYS H 1 9 LYS HB3 . . 3.540 3.370 2.405 3.688 0.148 6 0 "[ . 1 . 2]" 1
12 1 9 LYS QE 1 9 LYS HG3 . . 3.610 2.597 2.067 3.490 . 0 0 "[ . 1 . 2]" 1
13 1 9 LYS HB3 1 9 LYS QE . . 4.750 3.582 1.962 4.385 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS H 1 9 LYS HG3 . . 4.600 3.540 2.410 4.582 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS H 1 9 LYS HG2 . . 4.600 4.131 2.564 4.669 0.069 9 0 "[ . 1 . 2]" 1
16 1 9 LYS H 1 9 LYS QD . . 4.750 4.100 2.809 4.633 . 0 0 "[ . 1 . 2]" 1
17 1 9 LYS HG2 1 10 THR H . . 4.800 3.840 2.005 4.615 . 0 0 "[ . 1 . 2]" 1
18 1 9 LYS HA 1 10 THR H . . 3.510 2.418 2.233 2.539 . 0 0 "[ . 1 . 2]" 1
19 1 9 LYS HG3 1 10 THR H . . 4.800 3.947 2.487 4.884 0.084 6 0 "[ . 1 . 2]" 1
20 1 9 LYS HB2 1 10 THR H . . 4.290 3.746 3.128 4.291 0.001 5 0 "[ . 1 . 2]" 1
21 1 9 LYS H 1 10 THR H . . 4.700 4.536 4.489 4.563 . 0 0 "[ . 1 . 2]" 1
22 1 9 LYS HB3 1 10 THR H . . 3.760 2.669 2.151 3.995 0.235 15 0 "[ . 1 . 2]" 1
23 1 9 LYS QD 1 52 LEU QD . . 4.500 2.843 1.914 3.994 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS HB3 1 52 LEU QD . . 4.800 3.357 1.957 4.307 . 0 0 "[ . 1 . 2]" 1
25 1 9 LYS HB2 1 52 LEU QD . . 4.800 3.599 2.755 4.530 . 0 0 "[ . 1 . 2]" 1
26 1 9 LYS HA 1 55 SER H . . 4.500 4.419 4.030 4.520 0.020 7 0 "[ . 1 . 2]" 1
27 1 10 THR H 1 10 THR HB . . 3.940 3.086 2.893 3.411 . 0 0 "[ . 1 . 2]" 1
28 1 10 THR H 1 10 THR MG . . 4.150 3.802 3.631 3.924 . 0 0 "[ . 1 . 2]" 1
29 1 10 THR HA 1 10 THR MG . . 3.490 2.014 1.950 2.167 . 0 0 "[ . 1 . 2]" 1
30 1 10 THR MG 1 11 ILE H . . 3.320 3.097 2.811 3.323 0.003 17 0 "[ . 1 . 2]" 1
31 1 10 THR H 1 11 ILE H . . 4.340 4.266 4.113 4.354 0.014 9 0 "[ . 1 . 2]" 1
32 1 10 THR HB 1 11 ILE H . . 4.710 3.962 3.681 4.158 . 0 0 "[ . 1 . 2]" 1
33 1 10 THR HA 1 11 ILE H . . 3.170 2.149 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
34 1 10 THR MG 1 12 PHE QD . . 4.340 3.037 2.469 4.016 . 0 0 "[ . 1 . 2]" 1
35 1 10 THR MG 1 12 PHE QE . . 3.510 2.262 1.969 2.989 . 0 0 "[ . 1 . 2]" 1
36 1 10 THR HB 1 12 PHE QE . . 4.810 3.518 2.886 4.014 . 0 0 "[ . 1 . 2]" 1
37 1 10 THR HB 1 53 ILE HG12 . . 4.470 3.145 2.836 3.602 . 0 0 "[ . 1 . 2]" 1
38 1 10 THR HB 1 53 ILE HG13 . . 4.680 2.559 2.139 3.050 . 0 0 "[ . 1 . 2]" 1
39 1 10 THR HB 1 53 ILE MD . . 4.820 3.503 3.105 3.718 . 0 0 "[ . 1 . 2]" 1
40 1 10 THR HB 1 53 ILE H . . 4.840 3.771 3.444 4.099 . 0 0 "[ . 1 . 2]" 1
41 1 10 THR H 1 54 PRO HA . . 3.880 3.558 3.309 3.844 . 0 0 "[ . 1 . 2]" 1
42 1 10 THR H 1 55 SER H . . 4.970 4.345 4.131 4.734 . 0 0 "[ . 1 . 2]" 1
43 1 10 THR HB 1 58 VAL QG . . 4.200 2.797 2.164 4.111 . 0 0 "[ . 1 . 2]" 1
44 1 10 THR MG 1 74 VAL QG . . 2.720 1.988 1.804 2.392 . 0 0 "[ . 1 . 2]" 1
45 1 10 THR HB 1 74 VAL QG . . 4.670 3.672 3.221 4.075 . 0 0 "[ . 1 . 2]" 1
46 1 10 THR MG 1 75 TYR H . . 4.190 3.861 3.392 4.204 0.014 12 0 "[ . 1 . 2]" 1
47 1 10 THR HA 1 75 TYR H . . 5.290 4.519 4.123 4.945 . 0 0 "[ . 1 . 2]" 1
48 1 10 THR HA 1 76 VAL HA . . 4.290 3.193 2.963 3.518 . 0 0 "[ . 1 . 2]" 1
49 1 10 THR MG 1 76 VAL HB . . 4.800 3.982 2.908 4.804 0.004 17 0 "[ . 1 . 2]" 1
50 1 10 THR MG 1 76 VAL HA . . 5.020 3.915 3.571 4.275 . 0 0 "[ . 1 . 2]" 1
51 1 11 ILE HB 1 11 ILE MD . . 3.600 2.258 2.092 2.348 . 0 0 "[ . 1 . 2]" 1
52 1 11 ILE H 1 11 ILE HG12 . . 4.800 3.961 3.515 4.194 . 0 0 "[ . 1 . 2]" 1
53 1 11 ILE H 1 11 ILE HG13 . . 4.800 2.589 2.258 2.834 . 0 0 "[ . 1 . 2]" 1
54 1 11 ILE H 1 11 ILE MD . . 4.270 3.418 3.121 3.773 . 0 0 "[ . 1 . 2]" 1
55 1 11 ILE HG12 1 11 ILE MG . . 3.270 2.218 2.029 2.402 . 0 0 "[ . 1 . 2]" 1
56 1 11 ILE HA 1 11 ILE MD . . 4.700 3.872 3.833 3.889 . 0 0 "[ . 1 . 2]" 1
57 1 11 ILE MD 1 11 ILE MG . . 2.830 2.284 1.990 2.639 . 0 0 "[ . 1 . 2]" 1
58 1 11 ILE H 1 11 ILE HB . . 3.600 2.532 2.458 2.620 . 0 0 "[ . 1 . 2]" 1
59 1 11 ILE H 1 11 ILE MG . . 3.940 3.802 3.767 3.821 . 0 0 "[ . 1 . 2]" 1
60 1 11 ILE MG 1 12 PHE H . . 3.580 2.574 2.126 2.898 . 0 0 "[ . 1 . 2]" 1
61 1 11 ILE HB 1 12 PHE H . . 4.960 4.215 3.962 4.322 . 0 0 "[ . 1 . 2]" 1
62 1 11 ILE HG13 1 12 PHE H . . 4.970 4.815 4.651 5.090 0.120 19 0 "[ . 1 . 2]" 1
63 1 11 ILE MD 1 12 PHE H . . 5.390 5.263 4.971 5.385 . 0 0 "[ . 1 . 2]" 1
64 1 11 ILE MG 1 12 PHE HA . . 3.970 3.819 3.562 3.940 . 0 0 "[ . 1 . 2]" 1
65 1 11 ILE HA 1 12 PHE H . . 3.240 2.156 2.138 2.213 . 0 0 "[ . 1 . 2]" 1
66 1 11 ILE HG12 1 12 PHE H . . 5.110 4.568 4.202 4.780 . 0 0 "[ . 1 . 2]" 1
67 1 11 ILE MG 1 13 VAL H . . 4.800 3.939 3.599 4.151 . 0 0 "[ . 1 . 2]" 1
68 1 11 ILE MG 1 50 VAL HA . . 4.520 3.618 3.274 3.768 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE MG 1 51 ILE H . . 4.500 2.918 2.679 3.099 . 0 0 "[ . 1 . 2]" 1
70 1 11 ILE HG13 1 52 LEU HG . . 4.600 3.096 2.482 4.846 0.246 8 0 "[ . 1 . 2]" 1
71 1 11 ILE MD 1 52 LEU QD . . 3.390 2.756 2.250 3.047 . 0 0 "[ . 1 . 2]" 1
72 1 11 ILE MG 1 52 LEU H . . 5.150 4.377 4.071 4.668 . 0 0 "[ . 1 . 2]" 1
73 1 11 ILE MD 1 52 LEU HG . . 4.600 3.633 3.367 4.621 0.021 3 0 "[ . 1 . 2]" 1
74 1 11 ILE HG12 1 52 LEU HG . . 4.800 2.347 2.000 3.940 . 0 0 "[ . 1 . 2]" 1
75 1 11 ILE HG13 1 52 LEU QD . . 4.210 3.062 2.040 3.436 . 0 0 "[ . 1 . 2]" 1
76 1 11 ILE H 1 52 LEU QD . . 5.120 4.740 3.703 5.026 . 0 0 "[ . 1 . 2]" 1
77 1 11 ILE HA 1 53 ILE H . . 4.830 3.030 2.889 3.199 . 0 0 "[ . 1 . 2]" 1
78 1 11 ILE H 1 74 VAL QG . . 3.970 3.507 3.148 3.951 . 0 0 "[ . 1 . 2]" 1
79 1 11 ILE MD 1 75 TYR HB3 . . 5.500 3.477 3.081 4.148 . 0 0 "[ . 1 . 2]" 1
80 1 11 ILE MD 1 75 TYR H . . 5.110 4.664 4.387 4.931 . 0 0 "[ . 1 . 2]" 1
81 1 11 ILE MG 1 75 TYR H . . 4.500 3.911 3.501 4.287 . 0 0 "[ . 1 . 2]" 1
82 1 11 ILE MD 1 75 TYR HB2 . . 5.200 3.003 2.784 3.136 . 0 0 "[ . 1 . 2]" 1
83 1 11 ILE HB 1 75 TYR HB3 . . 5.410 3.568 3.130 4.235 . 0 0 "[ . 1 . 2]" 1
84 1 11 ILE HB 1 75 TYR H . . 4.460 3.131 2.873 3.346 . 0 0 "[ . 1 . 2]" 1
85 1 11 ILE MG 1 75 TYR HB3 . . 5.500 4.548 4.003 5.154 . 0 0 "[ . 1 . 2]" 1
86 1 11 ILE MG 1 75 TYR HB2 . . 5.500 3.203 2.696 3.722 . 0 0 "[ . 1 . 2]" 1
87 1 11 ILE H 1 75 TYR HB2 . . 5.500 3.527 3.255 3.892 . 0 0 "[ . 1 . 2]" 1
88 1 11 ILE H 1 75 TYR H . . 4.150 3.059 2.595 3.488 . 0 0 "[ . 1 . 2]" 1
89 1 11 ILE HB 1 75 TYR HB2 . . 4.910 2.075 1.962 2.496 . 0 0 "[ . 1 . 2]" 1
90 1 11 ILE H 1 76 VAL HA . . 4.340 3.601 3.254 3.867 . 0 0 "[ . 1 . 2]" 1
91 1 11 ILE MD 1 77 GLU H . . 4.610 4.599 4.328 4.703 0.093 15 0 "[ . 1 . 2]" 1
92 1 12 PHE H 1 12 PHE HB2 . . 3.890 2.335 2.243 2.483 . 0 0 "[ . 1 . 2]" 1
93 1 12 PHE H 1 12 PHE HB3 . . 4.020 3.477 3.381 3.569 . 0 0 "[ . 1 . 2]" 1
94 1 12 PHE H 1 12 PHE QD . . 3.890 3.196 2.928 3.472 . 0 0 "[ . 1 . 2]" 1
95 1 12 PHE HA 1 12 PHE QD . . 4.040 2.876 2.713 3.019 . 0 0 "[ . 1 . 2]" 1
96 1 12 PHE HB2 1 13 VAL H . . 4.700 4.525 4.400 4.573 . 0 0 "[ . 1 . 2]" 1
97 1 12 PHE H 1 13 VAL H . . 4.300 4.299 4.134 4.378 0.078 20 0 "[ . 1 . 2]" 1
98 1 12 PHE HA 1 13 VAL MG1 . . 4.530 4.594 3.682 5.476 0.946 1 7 "[+** . * 1 - . * *]" 1
99 1 12 PHE QD 1 13 VAL H . . 4.400 4.286 4.064 4.420 0.020 2 0 "[ . 1 . 2]" 1
100 1 12 PHE HA 1 13 VAL H . . 2.850 2.142 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
101 1 12 PHE HB3 1 13 VAL H . . 3.860 3.658 3.374 3.776 . 0 0 "[ . 1 . 2]" 1
102 1 12 PHE HB3 1 14 ILE HG13 . . 5.500 3.582 3.157 4.019 . 0 0 "[ . 1 . 2]" 1
103 1 12 PHE QD 1 14 ILE HG13 . . 4.800 3.749 3.544 4.171 . 0 0 "[ . 1 . 2]" 1
104 1 12 PHE HB3 1 14 ILE HG12 . . 5.500 4.613 3.764 5.054 . 0 0 "[ . 1 . 2]" 1
105 1 12 PHE QD 1 14 ILE MD . . 4.200 3.372 2.870 3.740 . 0 0 "[ . 1 . 2]" 1
106 1 12 PHE HB2 1 14 ILE MD . . 4.250 3.911 3.657 4.328 0.078 20 0 "[ . 1 . 2]" 1
107 1 12 PHE HB3 1 14 ILE MD . . 4.250 2.658 2.299 3.304 . 0 0 "[ . 1 . 2]" 1
108 1 12 PHE QD 1 14 ILE HG12 . . 4.800 4.231 3.758 4.464 . 0 0 "[ . 1 . 2]" 1
109 1 12 PHE H 1 50 VAL QG . . 4.340 3.908 3.459 4.424 0.084 12 0 "[ . 1 . 2]" 1
110 1 12 PHE HB3 1 51 ILE MD . . 5.200 3.673 2.936 3.930 . 0 0 "[ . 1 . 2]" 1
111 1 12 PHE H 1 51 ILE HG13 . . 5.500 5.270 4.904 5.499 . 0 0 "[ . 1 . 2]" 1
112 1 12 PHE H 1 51 ILE H . . 4.120 3.050 2.313 3.323 . 0 0 "[ . 1 . 2]" 1
113 1 12 PHE HB2 1 51 ILE HA . . 5.500 5.411 5.168 5.553 0.053 18 0 "[ . 1 . 2]" 1
114 1 12 PHE HB2 1 51 ILE MG . . 4.100 3.821 3.574 3.967 . 0 0 "[ . 1 . 2]" 1
115 1 12 PHE H 1 51 ILE MD . . 5.300 5.159 4.378 5.326 0.026 18 0 "[ . 1 . 2]" 1
116 1 12 PHE H 1 51 ILE HB . . 4.500 3.583 3.455 3.689 . 0 0 "[ . 1 . 2]" 1
117 1 12 PHE HB2 1 51 ILE MD . . 5.350 4.144 3.472 4.454 . 0 0 "[ . 1 . 2]" 1
118 1 12 PHE QD 1 51 ILE MG . . 5.500 5.175 4.984 5.337 . 0 0 "[ . 1 . 2]" 1
119 1 12 PHE HB3 1 51 ILE MG . . 4.780 4.509 4.300 4.647 . 0 0 "[ . 1 . 2]" 1
120 1 12 PHE HB3 1 51 ILE HB . . 3.860 3.340 3.147 3.488 . 0 0 "[ . 1 . 2]" 1
121 1 12 PHE QD 1 51 ILE HB . . 4.960 4.846 4.660 4.976 0.016 5 0 "[ . 1 . 2]" 1
122 1 12 PHE HB2 1 51 ILE HB . . 4.080 2.946 2.678 3.194 . 0 0 "[ . 1 . 2]" 1
123 1 12 PHE H 1 52 LEU HA . . 4.140 3.313 3.123 3.804 . 0 0 "[ . 1 . 2]" 1
124 1 12 PHE H 1 52 LEU QD . . 5.200 4.158 3.596 4.513 . 0 0 "[ . 1 . 2]" 1
125 1 12 PHE HB2 1 53 ILE MG . . 5.000 2.883 2.724 3.017 . 0 0 "[ . 1 . 2]" 1
126 1 12 PHE QD 1 53 ILE MD . . 4.150 2.664 2.508 2.911 . 0 0 "[ . 1 . 2]" 1
127 1 12 PHE HB3 1 53 ILE MG . . 5.370 4.139 3.831 4.323 . 0 0 "[ . 1 . 2]" 1
128 1 12 PHE HA 1 53 ILE MG . . 5.500 5.445 5.316 5.543 0.043 20 0 "[ . 1 . 2]" 1
129 1 12 PHE QE 1 53 ILE MD . . 3.650 2.736 2.442 3.151 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE QD 1 53 ILE HG13 . . 4.150 3.568 3.155 4.030 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE HZ 1 53 ILE MD . . 4.800 3.682 3.482 4.019 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE HZ 1 58 VAL QG . . 3.800 2.442 1.924 3.661 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE QE 1 58 VAL QG . . 3.800 2.008 1.894 2.241 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE QE 1 58 VAL HA . . 3.970 3.097 2.541 3.527 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE QD 1 58 VAL QG . . 4.310 3.552 3.119 3.909 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE HZ 1 58 VAL HA . . 4.500 3.457 3.040 3.963 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE HZ 1 61 PHE QD . . 5.500 5.534 5.345 5.609 0.109 18 0 "[ . 1 . 2]" 1
138 1 12 PHE HZ 1 61 PHE HB2 . . 5.500 4.827 4.545 5.003 . 0 0 "[ . 1 . 2]" 1
139 1 12 PHE HB3 1 61 PHE QE . . 4.760 4.524 4.370 4.747 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE HB2 1 61 PHE QE . . 5.000 4.431 4.291 4.763 . 0 0 "[ . 1 . 2]" 1
141 1 12 PHE HZ 1 61 PHE HB3 . . 5.500 3.677 3.421 3.760 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE QE 1 61 PHE HB2 . . 5.390 4.289 4.073 4.542 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE QD 1 61 PHE QE . . 4.950 4.536 4.260 4.803 . 0 0 "[ . 1 . 2]" 1
144 1 12 PHE QE 1 61 PHE HB3 . . 5.150 2.824 2.532 3.296 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE QD 1 61 PHE QD . . 4.430 3.737 3.404 3.999 . 0 0 "[ . 1 . 2]" 1
146 1 12 PHE HZ 1 62 LEU HG . . 4.540 2.980 1.946 4.589 0.049 10 0 "[ . 1 . 2]" 1
147 1 12 PHE HZ 1 62 LEU QD . . 3.500 2.176 1.873 2.446 . 0 0 "[ . 1 . 2]" 1
148 1 12 PHE QE 1 62 LEU QD . . 3.340 2.448 1.977 3.153 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE QE 1 62 LEU HB2 . . 5.000 4.009 2.834 4.857 . 0 0 "[ . 1 . 2]" 1
150 1 12 PHE HZ 1 62 LEU HB2 . . 4.500 3.388 1.994 4.389 . 0 0 "[ . 1 . 2]" 1
151 1 12 PHE QE 1 62 LEU HB3 . . 5.000 4.677 4.160 5.011 0.011 12 0 "[ . 1 . 2]" 1
152 1 12 PHE QE 1 62 LEU H . . 4.510 3.625 3.189 4.252 . 0 0 "[ . 1 . 2]" 1
153 1 12 PHE QE 1 62 LEU HA . . 4.500 2.484 1.999 2.912 . 0 0 "[ . 1 . 2]" 1
154 1 12 PHE HZ 1 62 LEU HA . . 4.300 3.638 3.091 3.899 . 0 0 "[ . 1 . 2]" 1
155 1 12 PHE HZ 1 62 LEU HB3 . . 4.800 4.484 3.726 4.855 0.055 8 0 "[ . 1 . 2]" 1
156 1 12 PHE HZ 1 62 LEU H . . 4.500 3.669 3.058 4.147 . 0 0 "[ . 1 . 2]" 1
157 1 12 PHE QE 1 65 LEU QD . . 4.000 2.780 2.445 3.777 . 0 0 "[ . 1 . 2]" 1
158 1 12 PHE QD 1 65 LEU QD . . 3.800 2.301 2.111 3.163 . 0 0 "[ . 1 . 2]" 1
159 1 12 PHE QE 1 65 LEU H . . 5.460 5.080 4.683 5.397 . 0 0 "[ . 1 . 2]" 1
160 1 12 PHE QD 1 65 LEU HG . . 5.180 4.484 2.895 4.892 . 0 0 "[ . 1 . 2]" 1
161 1 12 PHE QE 1 72 PHE HZ . . 4.610 3.784 3.224 4.562 . 0 0 "[ . 1 . 2]" 1
162 1 12 PHE QD 1 72 PHE HB2 . . 5.500 3.709 3.134 3.957 . 0 0 "[ . 1 . 2]" 1
163 1 12 PHE QD 1 72 PHE QD . . 4.200 3.564 2.670 4.195 . 0 0 "[ . 1 . 2]" 1
164 1 12 PHE QD 1 72 PHE HB3 . . 5.000 4.642 4.075 4.847 . 0 0 "[ . 1 . 2]" 1
165 1 12 PHE QD 1 73 THR H . . 5.260 4.865 4.403 5.178 . 0 0 "[ . 1 . 2]" 1
166 1 12 PHE HA 1 73 THR H . . 4.710 4.281 4.082 4.430 . 0 0 "[ . 1 . 2]" 1
167 1 12 PHE HZ 1 74 VAL QG . . 3.620 2.667 2.272 3.321 . 0 0 "[ . 1 . 2]" 1
168 1 12 PHE QE 1 74 VAL QG . . 3.700 2.059 1.915 2.282 . 0 0 "[ . 1 . 2]" 1
169 1 12 PHE HA 1 74 VAL HA . . 4.020 2.570 2.228 2.816 . 0 0 "[ . 1 . 2]" 1
170 1 12 PHE QD 1 74 VAL QG . . 4.500 2.649 2.358 2.895 . 0 0 "[ . 1 . 2]" 1
171 1 12 PHE HZ 1 74 VAL HB . . 4.920 4.273 3.010 5.012 0.092 8 0 "[ . 1 . 2]" 1
172 1 12 PHE H 1 75 TYR H . . 5.500 4.877 4.610 5.039 . 0 0 "[ . 1 . 2]" 1
173 1 12 PHE HA 1 75 TYR H . . 4.230 3.697 3.385 3.925 . 0 0 "[ . 1 . 2]" 1
174 1 13 VAL H 1 13 VAL HB . . 3.680 3.239 2.640 3.685 0.005 7 0 "[ . 1 . 2]" 1
175 1 13 VAL H 1 13 VAL MG1 . . 3.350 3.244 1.944 3.860 0.510 17 5 "[*** . 1 - . + 2]" 1
176 1 13 VAL MG1 1 14 ILE H . . 4.410 3.585 2.937 4.195 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL H 1 14 ILE H . . 4.400 4.265 4.172 4.475 0.075 18 0 "[ . 1 . 2]" 1
178 1 13 VAL H 1 14 ILE MD . . 5.500 4.642 4.127 5.531 0.031 20 0 "[ . 1 . 2]" 1
179 1 13 VAL HB 1 14 ILE H . . 4.880 3.904 3.367 4.325 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL HA 1 14 ILE H . . 3.030 2.152 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL HA 1 51 ILE H . . 4.020 3.360 3.155 3.732 . 0 0 "[ . 1 . 2]" 1
182 1 13 VAL H 1 72 PHE HA . . 5.100 4.897 4.770 5.051 . 0 0 "[ . 1 . 2]" 1
183 1 13 VAL H 1 72 PHE HB3 . . 5.500 5.514 5.424 5.573 0.073 20 0 "[ . 1 . 2]" 1
184 1 13 VAL H 1 72 PHE HB2 . . 5.500 3.834 3.787 3.970 . 0 0 "[ . 1 . 2]" 1
185 1 13 VAL H 1 72 PHE QD . . 4.800 4.176 3.743 4.727 . 0 0 "[ . 1 . 2]" 1
186 1 13 VAL H 1 73 THR HB . . 4.060 3.858 3.638 4.000 . 0 0 "[ . 1 . 2]" 1
187 1 13 VAL H 1 73 THR MG . . 4.950 4.847 4.468 5.022 0.072 10 0 "[ . 1 . 2]" 1
188 1 13 VAL MG1 1 73 THR HB . . 4.360 3.887 1.917 4.372 0.012 7 0 "[ . 1 . 2]" 1
189 1 13 VAL HB 1 73 THR H . . 4.580 3.929 2.850 4.709 0.129 10 0 "[ . 1 . 2]" 1
190 1 13 VAL H 1 73 THR H . . 3.700 2.795 2.684 2.898 . 0 0 "[ . 1 . 2]" 1
191 1 13 VAL HB 1 73 THR HB . . 4.500 3.779 2.455 4.538 0.038 5 0 "[ . 1 . 2]" 1
192 1 13 VAL MG1 1 73 THR H . . 4.810 4.270 1.916 4.823 0.013 7 0 "[ . 1 . 2]" 1
193 1 13 VAL H 1 74 VAL QG . . 5.500 4.363 3.940 4.824 . 0 0 "[ . 1 . 2]" 1
194 1 13 VAL H 1 74 VAL HA . . 3.860 3.501 2.980 3.829 . 0 0 "[ . 1 . 2]" 1
195 1 13 VAL H 1 75 TYR H . . 5.110 4.608 4.149 4.965 . 0 0 "[ . 1 . 2]" 1
196 1 13 VAL MG1 1 75 TYR QD . . 4.500 3.659 2.101 4.566 0.066 8 0 "[ . 1 . 2]" 1
197 1 13 VAL MG2 1 75 TYR QD . . 4.500 2.620 1.954 4.596 0.096 18 0 "[ . 1 . 2]" 1
198 1 13 VAL H 1 75 TYR QE . . 4.290 4.229 3.856 4.449 0.159 10 0 "[ . 1 . 2]" 1
199 1 13 VAL MG1 1 75 TYR QE . . 4.000 3.075 1.853 3.810 . 0 0 "[ . 1 . 2]" 1
200 1 13 VAL MG2 1 75 TYR QE . . 4.000 2.156 1.875 3.711 . 0 0 "[ . 1 . 2]" 1
201 1 13 VAL HB 1 75 TYR QE . . 4.360 3.600 2.333 4.400 0.040 7 0 "[ . 1 . 2]" 1
202 1 14 ILE HG12 1 14 ILE MG . . 3.500 2.121 2.031 2.384 . 0 0 "[ . 1 . 2]" 1
203 1 14 ILE MD 1 14 ILE MG . . 3.200 2.795 2.013 3.027 . 0 0 "[ . 1 . 2]" 1
204 1 14 ILE HB 1 14 ILE MD . . 3.200 2.053 1.991 2.306 . 0 0 "[ . 1 . 2]" 1
205 1 14 ILE H 1 14 ILE MG . . 4.500 3.839 3.816 3.875 . 0 0 "[ . 1 . 2]" 1
206 1 14 ILE H 1 14 ILE HB . . 3.800 2.616 2.558 2.711 . 0 0 "[ . 1 . 2]" 1
207 1 14 ILE H 1 14 ILE MD . . 4.500 2.853 2.475 3.713 . 0 0 "[ . 1 . 2]" 1
208 1 14 ILE H 1 14 ILE HG13 . . 5.000 2.880 2.327 3.164 . 0 0 "[ . 1 . 2]" 1
209 1 14 ILE H 1 14 ILE HG12 . . 4.800 4.154 3.614 4.441 . 0 0 "[ . 1 . 2]" 1
210 1 14 ILE MG 1 15 VAL H . . 3.280 2.295 2.196 2.632 . 0 0 "[ . 1 . 2]" 1
211 1 14 ILE H 1 15 VAL H . . 4.760 4.494 4.403 4.526 . 0 0 "[ . 1 . 2]" 1
212 1 14 ILE MD 1 15 VAL H . . 5.500 5.108 5.047 5.225 . 0 0 "[ . 1 . 2]" 1
213 1 14 ILE H 1 15 VAL QG . . 4.770 4.142 3.903 4.831 0.061 17 0 "[ . 1 . 2]" 1
214 1 14 ILE HB 1 15 VAL H . . 4.300 3.953 3.899 4.140 . 0 0 "[ . 1 . 2]" 1
215 1 14 ILE HA 1 15 VAL H . . 3.170 2.208 2.150 2.223 . 0 0 "[ . 1 . 2]" 1
216 1 14 ILE HG12 1 15 VAL H . . 5.070 4.678 4.467 4.951 . 0 0 "[ . 1 . 2]" 1
217 1 14 ILE HB 1 16 PRO HD3 . . 4.560 3.801 3.546 4.175 . 0 0 "[ . 1 . 2]" 1
218 1 14 ILE MG 1 16 PRO HD2 . . 5.050 4.046 3.825 4.373 . 0 0 "[ . 1 . 2]" 1
219 1 14 ILE HB 1 16 PRO HD2 . . 5.500 5.185 4.920 5.507 0.007 17 0 "[ . 1 . 2]" 1
220 1 14 ILE MG 1 16 PRO HD3 . . 4.800 2.656 2.354 3.039 . 0 0 "[ . 1 . 2]" 1
221 1 14 ILE HA 1 16 PRO HD3 . . 5.400 5.013 4.805 5.244 . 0 0 "[ . 1 . 2]" 1
222 1 14 ILE MD 1 25 LEU QD . . 3.500 2.363 1.783 2.915 . 0 0 "[ . 1 . 2]" 1
223 1 14 ILE HB 1 25 LEU QD . . 4.500 2.080 1.963 2.234 . 0 0 "[ . 1 . 2]" 1
224 1 14 ILE HB 1 49 VAL H . . 4.470 4.228 3.927 4.482 0.012 2 0 "[ . 1 . 2]" 1
225 1 14 ILE H 1 49 VAL HB . . 4.800 3.391 3.114 4.864 0.064 11 0 "[ . 1 . 2]" 1
226 1 14 ILE HB 1 49 VAL QG . . 4.250 3.374 2.035 4.120 . 0 0 "[ . 1 . 2]" 1
227 1 14 ILE HB 1 49 VAL HB . . 4.800 3.125 2.771 4.624 . 0 0 "[ . 1 . 2]" 1
228 1 14 ILE H 1 49 VAL QG . . 5.300 3.554 2.107 4.064 . 0 0 "[ . 1 . 2]" 1
229 1 14 ILE MG 1 49 VAL H . . 5.300 4.670 4.494 4.856 . 0 0 "[ . 1 . 2]" 1
230 1 14 ILE H 1 49 VAL H . . 3.950 3.533 3.206 3.780 . 0 0 "[ . 1 . 2]" 1
231 1 14 ILE H 1 50 VAL QG . . 5.500 4.420 4.112 4.642 . 0 0 "[ . 1 . 2]" 1
232 1 14 ILE H 1 50 VAL HA . . 4.260 3.726 3.572 3.922 . 0 0 "[ . 1 . 2]" 1
233 1 14 ILE HB 1 51 ILE MD . . 4.800 3.637 3.451 3.795 . 0 0 "[ . 1 . 2]" 1
234 1 14 ILE MG 1 51 ILE MD . . 4.500 4.430 4.193 4.519 0.019 6 0 "[ . 1 . 2]" 1
235 1 14 ILE H 1 51 ILE MD . . 5.150 4.001 3.581 4.374 . 0 0 "[ . 1 . 2]" 1
236 1 14 ILE HG12 1 51 ILE MD . . 4.800 4.266 4.042 4.492 . 0 0 "[ . 1 . 2]" 1
237 1 14 ILE MD 1 51 ILE HG12 . . 4.340 4.143 3.916 4.358 0.018 20 0 "[ . 1 . 2]" 1
238 1 14 ILE MD 1 51 ILE MD . . 2.810 1.914 1.813 2.029 . 0 0 "[ . 1 . 2]" 1
239 1 14 ILE MD 1 51 ILE MG . . 4.350 4.020 3.873 4.356 0.006 8 0 "[ . 1 . 2]" 1
240 1 14 ILE HG13 1 51 ILE MD . . 4.800 4.034 3.132 4.280 . 0 0 "[ . 1 . 2]" 1
241 1 14 ILE MD 1 51 ILE H . . 5.500 4.497 4.071 5.109 . 0 0 "[ . 1 . 2]" 1
242 1 14 ILE H 1 51 ILE H . . 4.870 4.667 4.335 4.864 . 0 0 "[ . 1 . 2]" 1
243 1 14 ILE HG12 1 61 PHE QE . . 5.500 3.934 3.533 4.641 . 0 0 "[ . 1 . 2]" 1
244 1 14 ILE MD 1 61 PHE QE . . 3.000 2.558 2.080 2.943 . 0 0 "[ . 1 . 2]" 1
245 1 14 ILE MG 1 61 PHE QE . . 4.810 4.593 4.179 4.823 0.013 11 0 "[ . 1 . 2]" 1
246 1 14 ILE MD 1 61 PHE QD . . 5.200 3.820 3.579 4.063 . 0 0 "[ . 1 . 2]" 1
247 1 14 ILE HG13 1 61 PHE QE . . 5.500 4.887 4.474 5.057 . 0 0 "[ . 1 . 2]" 1
248 1 14 ILE MG 1 65 LEU QD . . 3.310 2.141 1.932 2.245 . 0 0 "[ . 1 . 2]" 1
249 1 14 ILE HG13 1 65 LEU QD . . 4.800 2.524 2.187 3.403 . 0 0 "[ . 1 . 2]" 1
250 1 14 ILE MD 1 65 LEU QD . . 2.940 2.109 1.767 2.339 . 0 0 "[ . 1 . 2]" 1
251 1 14 ILE HB 1 65 LEU QD . . 5.500 3.627 3.489 3.876 . 0 0 "[ . 1 . 2]" 1
252 1 14 ILE HG12 1 65 LEU QD . . 4.800 1.783 1.744 1.949 . 0 0 "[ . 1 . 2]" 1
253 1 14 ILE MG 1 70 ILE MD . . 3.130 2.875 2.752 3.075 . 0 0 "[ . 1 . 2]" 1
254 1 14 ILE MG 1 70 ILE HG12 . . 4.650 4.655 4.539 4.818 0.168 20 0 "[ . 1 . 2]" 1
255 1 14 ILE MG 1 70 ILE MG . . 2.550 1.876 1.811 2.072 . 0 0 "[ . 1 . 2]" 1
256 1 14 ILE MG 1 70 ILE H . . 5.410 5.370 5.250 5.430 0.020 12 0 "[ . 1 . 2]" 1
257 1 14 ILE MG 1 70 ILE HB . . 4.120 3.170 3.100 3.265 . 0 0 "[ . 1 . 2]" 1
258 1 14 ILE MG 1 70 ILE HA . . 4.800 4.625 4.550 4.781 . 0 0 "[ . 1 . 2]" 1
259 1 14 ILE HG12 1 72 PHE QD . . 5.500 4.046 3.748 4.311 . 0 0 "[ . 1 . 2]" 1
260 1 14 ILE MG 1 72 PHE HA . . 4.500 3.724 3.481 3.855 . 0 0 "[ . 1 . 2]" 1
261 1 14 ILE MD 1 72 PHE HA . . 5.500 5.267 5.066 5.504 0.004 20 0 "[ . 1 . 2]" 1
262 1 14 ILE HG13 1 72 PHE QD . . 5.500 4.201 4.001 4.644 . 0 0 "[ . 1 . 2]" 1
263 1 14 ILE MG 1 72 PHE HB2 . . 4.400 3.844 3.609 4.195 . 0 0 "[ . 1 . 2]" 1
264 1 14 ILE MG 1 72 PHE H . . 4.760 4.764 4.612 4.803 0.043 10 0 "[ . 1 . 2]" 1
265 1 14 ILE MD 1 72 PHE HB3 . . 4.500 4.138 3.946 4.290 . 0 0 "[ . 1 . 2]" 1
266 1 14 ILE MG 1 72 PHE HB3 . . 4.500 2.760 2.525 3.053 . 0 0 "[ . 1 . 2]" 1
267 1 14 ILE MD 1 72 PHE HB2 . . 4.500 3.955 3.773 4.217 . 0 0 "[ . 1 . 2]" 1
268 1 14 ILE HA 1 72 PHE H . . 4.800 4.800 4.743 4.853 0.053 20 0 "[ . 1 . 2]" 1
269 1 14 ILE HG13 1 72 PHE HA . . 5.000 3.955 3.657 4.979 . 0 0 "[ . 1 . 2]" 1
270 1 14 ILE MD 1 72 PHE QD . . 4.800 4.793 4.656 4.822 0.022 2 0 "[ . 1 . 2]" 1
271 1 14 ILE HG12 1 72 PHE HB2 . . 4.800 3.355 2.629 3.859 . 0 0 "[ . 1 . 2]" 1
272 1 14 ILE MG 1 72 PHE QD . . 4.650 3.986 3.528 4.371 . 0 0 "[ . 1 . 2]" 1
273 1 14 ILE HG12 1 72 PHE HB3 . . 4.800 2.810 2.407 3.134 . 0 0 "[ . 1 . 2]" 1
274 1 14 ILE HG13 1 72 PHE HB2 . . 5.500 2.500 2.299 3.548 . 0 0 "[ . 1 . 2]" 1
275 1 14 ILE HG12 1 72 PHE HA . . 5.000 4.674 4.132 5.008 0.008 3 0 "[ . 1 . 2]" 1
276 1 14 ILE HG13 1 72 PHE HB3 . . 5.500 2.862 2.417 4.200 . 0 0 "[ . 1 . 2]" 1
277 1 14 ILE HA 1 72 PHE HA . . 3.200 2.382 2.233 2.479 . 0 0 "[ . 1 . 2]" 1
278 1 14 ILE HA 1 73 THR H . . 4.030 3.796 3.616 3.868 . 0 0 "[ . 1 . 2]" 1
279 1 14 ILE HG12 1 73 THR H . . 5.230 5.376 4.595 5.748 0.518 3 1 "[ + . 1 . 2]" 1
280 1 15 VAL H 1 15 VAL HB . . 3.800 2.855 2.756 3.335 . 0 0 "[ . 1 . 2]" 1
281 1 15 VAL H 1 15 VAL QG . . 3.350 2.635 2.029 2.723 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL QG 1 16 PRO HD2 . . 4.500 2.816 2.642 3.007 . 0 0 "[ . 1 . 2]" 1
283 1 15 VAL QG 1 16 PRO HD3 . . 4.500 3.774 3.695 3.851 . 0 0 "[ . 1 . 2]" 1
284 1 15 VAL H 1 16 PRO HD3 . . 4.610 3.934 3.754 4.166 . 0 0 "[ . 1 . 2]" 1
285 1 15 VAL H 1 16 PRO HD2 . . 4.910 4.465 4.357 4.595 . 0 0 "[ . 1 . 2]" 1
286 1 15 VAL QG 1 17 THR MG . . 3.650 3.179 2.949 3.413 . 0 0 "[ . 1 . 2]" 1
287 1 15 VAL QG 1 17 THR HA . . 4.850 4.563 4.169 4.735 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL H 1 25 LEU QD . . 4.800 4.011 3.844 4.250 . 0 0 "[ . 1 . 2]" 1
289 1 15 VAL QG 1 45 PRO HA . . 5.500 5.307 4.758 5.440 . 0 0 "[ . 1 . 2]" 1
290 1 15 VAL QG 1 46 GLY HA2 . . 3.350 2.654 2.209 2.916 . 0 0 "[ . 1 . 2]" 1
291 1 15 VAL QG 1 46 GLY H . . 3.690 3.604 3.069 3.692 0.002 7 0 "[ . 1 . 2]" 1
292 1 15 VAL QG 1 46 GLY HA3 . . 4.100 3.924 3.412 4.164 0.064 16 0 "[ . 1 . 2]" 1
293 1 15 VAL HA 1 46 GLY H . . 5.250 4.779 4.582 4.972 . 0 0 "[ . 1 . 2]" 1
294 1 15 VAL QG 1 47 GLN HA . . 4.000 3.742 3.588 3.968 . 0 0 "[ . 1 . 2]" 1
295 1 15 VAL QG 1 47 GLN H . . 3.810 3.741 3.249 3.812 0.002 15 0 "[ . 1 . 2]" 1
296 1 15 VAL QG 1 48 PRO HD2 . . 4.620 4.381 3.992 4.431 . 0 0 "[ . 1 . 2]" 1
297 1 15 VAL QG 1 48 PRO HD3 . . 4.310 3.355 2.648 3.480 . 0 0 "[ . 1 . 2]" 1
298 1 15 VAL HA 1 49 VAL H . . 3.550 3.243 3.055 3.537 . 0 0 "[ . 1 . 2]" 1
299 1 15 VAL QG 1 49 VAL H . . 4.650 3.185 2.820 4.336 . 0 0 "[ . 1 . 2]" 1
300 1 15 VAL H 1 70 ILE MG . . 3.890 3.164 3.068 3.529 . 0 0 "[ . 1 . 2]" 1
301 1 15 VAL H 1 71 PRO HB2 . . 4.540 4.356 4.176 4.447 . 0 0 "[ . 1 . 2]" 1
302 1 15 VAL QG 1 71 PRO HA . . 5.500 5.435 4.718 5.524 0.024 20 0 "[ . 1 . 2]" 1
303 1 15 VAL H 1 72 PHE HB3 . . 5.080 3.973 3.820 4.218 . 0 0 "[ . 1 . 2]" 1
304 1 15 VAL H 1 72 PHE HA . . 3.840 3.276 3.030 3.390 . 0 0 "[ . 1 . 2]" 1
305 1 15 VAL H 1 72 PHE HB2 . . 4.630 4.741 4.553 5.096 0.466 8 0 "[ . 1 . 2]" 1
306 1 15 VAL QG 1 72 PHE HA . . 4.960 3.514 3.358 3.670 . 0 0 "[ . 1 . 2]" 1
307 1 15 VAL H 1 73 THR H . . 5.500 5.452 5.178 5.547 0.047 18 0 "[ . 1 . 2]" 1
308 1 16 PRO HG2 1 17 THR H . . 4.860 4.802 4.609 4.879 0.019 13 0 "[ . 1 . 2]" 1
309 1 16 PRO HD3 1 17 THR H . . 5.500 5.591 5.576 5.594 0.094 8 0 "[ . 1 . 2]" 1
310 1 16 PRO QB 1 17 THR H . . 3.390 3.036 2.764 3.158 . 0 0 "[ . 1 . 2]" 1
311 1 16 PRO HA 1 17 THR H . . 2.860 2.210 2.178 2.303 . 0 0 "[ . 1 . 2]" 1
312 1 16 PRO QB 1 18 ASN H . . 3.240 2.760 2.594 2.863 . 0 0 "[ . 1 . 2]" 1
313 1 16 PRO HA 1 21 GLN H . . 5.500 5.054 4.875 5.322 . 0 0 "[ . 1 . 2]" 1
314 1 16 PRO HD3 1 21 GLN QB . . 4.550 4.377 4.310 4.512 . 0 0 "[ . 1 . 2]" 1
315 1 16 PRO QB 1 21 GLN H . . 5.000 4.180 4.061 4.393 . 0 0 "[ . 1 . 2]" 1
316 1 16 PRO QB 1 22 VAL HA . . 3.860 2.732 2.580 2.838 . 0 0 "[ . 1 . 2]" 1
317 1 16 PRO HG2 1 22 VAL HA . . 4.190 4.151 3.876 4.277 0.087 16 0 "[ . 1 . 2]" 1
318 1 16 PRO HD3 1 22 VAL MG2 . . 4.460 4.303 4.170 4.427 . 0 0 "[ . 1 . 2]" 1
319 1 16 PRO HG2 1 22 VAL MG2 . . 3.420 2.456 2.241 2.567 . 0 0 "[ . 1 . 2]" 1
320 1 16 PRO HG3 1 22 VAL MG2 . . 3.560 2.333 2.177 2.492 . 0 0 "[ . 1 . 2]" 1
321 1 16 PRO QB 1 22 VAL MG2 . . 3.020 1.895 1.849 1.930 . 0 0 "[ . 1 . 2]" 1
322 1 16 PRO HA 1 22 VAL H . . 4.820 4.618 4.373 4.827 0.007 17 0 "[ . 1 . 2]" 1
323 1 16 PRO HD2 1 22 VAL MG2 . . 4.620 4.336 4.087 4.448 . 0 0 "[ . 1 . 2]" 1
324 1 16 PRO HG2 1 22 VAL H . . 5.370 4.964 4.734 5.113 . 0 0 "[ . 1 . 2]" 1
325 1 16 PRO HG3 1 22 VAL H . . 4.860 4.551 4.235 4.743 . 0 0 "[ . 1 . 2]" 1
326 1 16 PRO QB 1 22 VAL H . . 3.300 2.724 2.611 2.872 . 0 0 "[ . 1 . 2]" 1
327 1 16 PRO HG3 1 22 VAL HA . . 3.610 2.910 2.532 3.045 . 0 0 "[ . 1 . 2]" 1
328 1 16 PRO HG3 1 25 LEU QD . . 3.170 2.405 2.094 2.721 . 0 0 "[ . 1 . 2]" 1
329 1 16 PRO HG2 1 25 LEU QD . . 4.000 3.758 3.513 4.011 0.011 12 0 "[ . 1 . 2]" 1
330 1 16 PRO HD3 1 25 LEU QD . . 4.500 2.192 2.025 2.390 . 0 0 "[ . 1 . 2]" 1
331 1 16 PRO HD3 1 25 LEU QB . . 4.610 4.462 4.120 4.568 . 0 0 "[ . 1 . 2]" 1
332 1 16 PRO HD2 1 25 LEU QD . . 5.120 3.526 3.385 3.744 . 0 0 "[ . 1 . 2]" 1
333 1 16 PRO HD3 1 25 LEU HG . . 5.240 4.794 4.532 5.046 . 0 0 "[ . 1 . 2]" 1
334 1 16 PRO QB 1 25 LEU QD . . 3.300 2.346 2.009 2.680 . 0 0 "[ . 1 . 2]" 1
335 1 16 PRO QB 1 45 PRO HA . . 3.900 3.209 2.980 3.417 . 0 0 "[ . 1 . 2]" 1
336 1 16 PRO HG2 1 46 GLY H . . 4.390 2.157 1.939 2.526 . 0 0 "[ . 1 . 2]" 1
337 1 16 PRO HD2 1 46 GLY H . . 3.520 3.390 3.184 3.560 0.040 5 0 "[ . 1 . 2]" 1
338 1 16 PRO QB 1 46 GLY H . . 3.980 3.386 3.126 3.623 . 0 0 "[ . 1 . 2]" 1
339 1 16 PRO HG3 1 46 GLY H . . 4.300 3.926 3.698 4.292 . 0 0 "[ . 1 . 2]" 1
340 1 16 PRO HD3 1 47 GLN H . . 5.340 5.125 4.736 5.345 0.005 3 0 "[ . 1 . 2]" 1
341 1 16 PRO HG2 1 47 GLN H . . 4.120 3.257 3.061 3.493 . 0 0 "[ . 1 . 2]" 1
342 1 16 PRO HG3 1 47 GLN H . . 4.870 4.589 4.332 4.870 0.000 6 0 "[ . 1 . 2]" 1
343 1 16 PRO HD2 1 47 GLN H . . 4.080 3.504 3.103 3.737 . 0 0 "[ . 1 . 2]" 1
344 1 16 PRO HD2 1 49 VAL QG . . 4.000 3.208 2.702 3.894 . 0 0 "[ . 1 . 2]" 1
345 1 16 PRO HD3 1 49 VAL H . . 4.750 4.003 3.837 4.230 . 0 0 "[ . 1 . 2]" 1
346 1 16 PRO HD3 1 49 VAL QG . . 3.890 2.978 2.381 3.702 . 0 0 "[ . 1 . 2]" 1
347 1 16 PRO HD2 1 49 VAL H . . 4.760 3.791 3.586 4.021 . 0 0 "[ . 1 . 2]" 1
348 1 17 THR H 1 17 THR MG . . 3.100 2.640 2.538 2.786 . 0 0 "[ . 1 . 2]" 1
349 1 17 THR H 1 17 THR HB . . 3.950 3.850 3.807 3.888 . 0 0 "[ . 1 . 2]" 1
350 1 17 THR HA 1 17 THR MG . . 2.970 2.472 2.377 2.558 . 0 0 "[ . 1 . 2]" 1
351 1 17 THR HB 1 18 ASN H . . 5.100 4.530 4.432 4.572 . 0 0 "[ . 1 . 2]" 1
352 1 17 THR H 1 18 ASN H . . 2.950 2.286 2.026 2.350 . 0 0 "[ . 1 . 2]" 1
353 1 17 THR MG 1 18 ASN H . . 4.310 4.171 4.102 4.208 . 0 0 "[ . 1 . 2]" 1
354 1 17 THR HA 1 18 ASN H . . 3.460 3.040 2.966 3.188 . 0 0 "[ . 1 . 2]" 1
355 1 17 THR H 1 21 GLN H . . 4.630 4.381 4.185 4.645 0.015 6 0 "[ . 1 . 2]" 1
356 1 17 THR H 1 21 GLN HG2 . . 4.310 3.452 2.721 4.706 0.396 6 0 "[ . 1 . 2]" 1
357 1 17 THR MG 1 21 GLN HE22 . . 4.800 4.745 3.594 5.221 0.421 12 0 "[ . 1 . 2]" 1
358 1 17 THR H 1 21 GLN HE22 . . 5.500 4.879 4.074 5.328 . 0 0 "[ . 1 . 2]" 1
359 1 17 THR H 1 21 GLN QB . . 3.610 2.479 2.344 2.715 . 0 0 "[ . 1 . 2]" 1
360 1 17 THR H 1 21 GLN HE21 . . 5.500 4.160 3.595 4.882 . 0 0 "[ . 1 . 2]" 1
361 1 17 THR MG 1 21 GLN HE21 . . 5.200 4.343 3.656 5.194 . 0 0 "[ . 1 . 2]" 1
362 1 17 THR H 1 22 VAL H . . 4.680 4.658 4.475 4.744 0.064 6 0 "[ . 1 . 2]" 1
363 1 17 THR HA 1 45 PRO HA . . 5.330 4.846 4.519 5.171 . 0 0 "[ . 1 . 2]" 1
364 1 17 THR HA 1 46 GLY H . . 4.110 3.731 3.388 3.942 . 0 0 "[ . 1 . 2]" 1
365 1 17 THR MG 1 46 GLY H . . 4.720 4.507 4.289 4.723 0.003 2 0 "[ . 1 . 2]" 1
366 1 17 THR H 1 70 ILE MD . . 5.500 5.416 5.218 5.519 0.019 12 0 "[ . 1 . 2]" 1
367 1 17 THR MG 1 70 ILE HA . . 4.930 4.953 4.854 4.986 0.056 6 0 "[ . 1 . 2]" 1
368 1 17 THR H 1 70 ILE MG . . 4.120 4.133 4.021 4.189 0.069 18 0 "[ . 1 . 2]" 1
369 1 17 THR MG 1 71 PRO HG3 . . 2.990 2.638 2.434 2.876 . 0 0 "[ . 1 . 2]" 1
370 1 17 THR MG 1 71 PRO HG2 . . 3.300 3.125 2.932 3.313 0.013 6 0 "[ . 1 . 2]" 1
371 1 17 THR MG 1 71 PRO HD3 . . 3.870 3.710 3.537 3.839 . 0 0 "[ . 1 . 2]" 1
372 1 17 THR H 1 71 PRO HD2 . . 4.630 4.531 4.397 4.587 . 0 0 "[ . 1 . 2]" 1
373 1 17 THR H 1 71 PRO HD3 . . 5.500 5.508 5.402 5.585 0.085 6 0 "[ . 1 . 2]" 1
374 1 17 THR MG 1 71 PRO HD2 . . 3.730 3.464 3.354 3.546 . 0 0 "[ . 1 . 2]" 1
375 1 18 ASN HB3 1 18 ASN HD22 . . 3.610 3.573 3.435 3.957 0.347 17 0 "[ . 1 . 2]" 1
376 1 18 ASN HA 1 19 GLU H . . 2.890 2.440 2.341 2.552 . 0 0 "[ . 1 . 2]" 1
377 1 18 ASN H 1 19 GLU H . . 4.560 4.340 4.292 4.370 . 0 0 "[ . 1 . 2]" 1
378 1 18 ASN HB2 1 19 GLU H . . 3.730 2.981 2.120 3.840 0.110 4 0 "[ . 1 . 2]" 1
379 1 18 ASN HB3 1 19 GLU H . . 3.770 3.559 3.447 3.779 0.009 3 0 "[ . 1 . 2]" 1
380 1 18 ASN HD22 1 20 GLU QB . . 4.500 2.884 2.064 3.630 . 0 0 "[ . 1 . 2]" 1
381 1 18 ASN HD21 1 20 GLU QB . . 4.500 2.719 1.842 4.542 0.042 9 0 "[ . 1 . 2]" 1
382 1 18 ASN HD22 1 20 GLU H . . 5.300 3.590 2.632 4.952 . 0 0 "[ . 1 . 2]" 1
383 1 18 ASN HB3 1 20 GLU H . . 4.800 3.761 2.971 4.431 . 0 0 "[ . 1 . 2]" 1
384 1 18 ASN HD21 1 20 GLU H . . 5.300 3.103 1.921 5.221 . 0 0 "[ . 1 . 2]" 1
385 1 18 ASN HB2 1 20 GLU H . . 4.800 3.451 2.567 4.516 . 0 0 "[ . 1 . 2]" 1
386 1 18 ASN H 1 21 GLN QB . . 3.200 2.672 2.566 2.864 . 0 0 "[ . 1 . 2]" 1
387 1 18 ASN H 1 21 GLN H . . 3.850 3.722 3.636 3.852 0.002 6 0 "[ . 1 . 2]" 1
388 1 18 ASN HD22 1 21 GLN H . . 4.280 3.948 2.632 4.975 0.695 15 6 "[ - * 1 * *+ * 2]" 1
389 1 18 ASN H 1 22 VAL HA . . 5.500 5.532 5.472 5.561 0.061 13 0 "[ . 1 . 2]" 1
390 1 18 ASN H 1 22 VAL H . . 3.820 3.547 3.483 3.598 . 0 0 "[ . 1 . 2]" 1
391 1 18 ASN H 1 22 VAL MG2 . . 4.500 3.031 2.883 3.144 . 0 0 "[ . 1 . 2]" 1
392 1 18 ASN H 1 45 PRO HA . . 5.200 4.548 4.385 4.657 . 0 0 "[ . 1 . 2]" 1
393 1 19 GLU H 1 19 GLU HG3 . . 5.000 3.444 2.007 4.462 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLU H 1 19 GLU QB . . 3.430 2.405 2.132 2.650 . 0 0 "[ . 1 . 2]" 1
395 1 19 GLU HA 1 19 GLU HG3 . . 4.200 3.254 2.224 3.895 . 0 0 "[ . 1 . 2]" 1
396 1 19 GLU H 1 19 GLU HG2 . . 5.000 3.186 1.977 4.617 . 0 0 "[ . 1 . 2]" 1
397 1 19 GLU HA 1 19 GLU HG2 . . 4.200 3.141 2.283 3.819 . 0 0 "[ . 1 . 2]" 1
398 1 19 GLU HG2 1 20 GLU H . . 5.000 4.147 2.139 5.076 0.076 2 0 "[ . 1 . 2]" 1
399 1 19 GLU HG3 1 20 GLU H . . 5.000 4.214 2.374 4.958 . 0 0 "[ . 1 . 2]" 1
400 1 19 GLU H 1 20 GLU H . . 3.690 2.719 2.662 2.784 . 0 0 "[ . 1 . 2]" 1
401 1 19 GLU HA 1 22 VAL MG2 . . 3.200 3.223 3.123 3.257 0.057 2 0 "[ . 1 . 2]" 1
402 1 19 GLU HA 1 22 VAL HB . . 3.220 2.552 2.376 2.688 . 0 0 "[ . 1 . 2]" 1
403 1 19 GLU HA 1 22 VAL HA . . 5.430 5.391 5.262 5.471 0.041 12 0 "[ . 1 . 2]" 1
404 1 19 GLU HA 1 22 VAL MG1 . . 4.500 3.887 3.675 4.052 . 0 0 "[ . 1 . 2]" 1
405 1 19 GLU HA 1 22 VAL H . . 3.630 3.581 3.543 3.647 0.017 16 0 "[ . 1 . 2]" 1
406 1 19 GLU H 1 22 VAL H . . 5.170 4.908 4.870 4.942 . 0 0 "[ . 1 . 2]" 1
407 1 19 GLU HA 1 23 ALA MB . . 4.410 4.087 3.981 4.205 . 0 0 "[ . 1 . 2]" 1
408 1 19 GLU HA 1 23 ALA H . . 3.800 3.516 3.426 3.593 . 0 0 "[ . 1 . 2]" 1
409 1 20 GLU H 1 20 GLU QG . . 4.180 3.675 1.964 4.053 . 0 0 "[ . 1 . 2]" 1
410 1 20 GLU H 1 20 GLU QB . . 3.200 2.201 2.085 2.647 . 0 0 "[ . 1 . 2]" 1
411 1 20 GLU HA 1 20 GLU QG . . 3.240 2.508 2.115 3.163 . 0 0 "[ . 1 . 2]" 1
412 1 20 GLU QB 1 21 GLN H . . 3.500 2.339 2.195 2.473 . 0 0 "[ . 1 . 2]" 1
413 1 20 GLU QG 1 21 GLN H . . 4.200 3.871 3.392 4.151 . 0 0 "[ . 1 . 2]" 1
414 1 20 GLU H 1 22 VAL MG2 . . 5.200 5.075 4.949 5.180 . 0 0 "[ . 1 . 2]" 1
415 1 20 GLU H 1 22 VAL H . . 4.330 4.223 4.101 4.347 0.017 12 0 "[ . 1 . 2]" 1
416 1 20 GLU HA 1 23 ALA MB . . 3.270 2.961 2.793 3.197 . 0 0 "[ . 1 . 2]" 1
417 1 20 GLU H 1 23 ALA MB . . 4.840 4.633 4.558 4.743 . 0 0 "[ . 1 . 2]" 1
418 1 20 GLU HA 1 23 ALA H . . 4.150 3.921 3.812 4.048 . 0 0 "[ . 1 . 2]" 1
419 1 20 GLU HA 1 24 PHE HB2 . . 4.930 4.715 4.419 4.960 0.030 20 0 "[ . 1 . 2]" 1
420 1 21 GLN HE22 1 21 GLN HG2 . . 4.030 3.683 3.436 3.923 . 0 0 "[ . 1 . 2]" 1
421 1 21 GLN H 1 21 GLN HG3 . . 4.500 3.079 2.180 4.026 . 0 0 "[ . 1 . 2]" 1
422 1 21 GLN H 1 21 GLN HG2 . . 4.000 2.410 1.914 4.292 0.292 12 0 "[ . 1 . 2]" 1
423 1 21 GLN HA 1 21 GLN HG3 . . 4.210 3.568 2.216 3.839 . 0 0 "[ . 1 . 2]" 1
424 1 21 GLN HA 1 21 GLN HE21 . . 5.090 4.494 4.043 4.803 . 0 0 "[ . 1 . 2]" 1
425 1 21 GLN H 1 21 GLN HE21 . . 5.500 4.860 4.425 5.312 . 0 0 "[ . 1 . 2]" 1
426 1 21 GLN QB 1 21 GLN HE22 . . 4.500 4.045 3.906 4.304 . 0 0 "[ . 1 . 2]" 1
427 1 21 GLN H 1 21 GLN QB . . 3.060 2.535 2.084 2.644 . 0 0 "[ . 1 . 2]" 1
428 1 21 GLN HA 1 21 GLN HG2 . . 4.000 2.959 2.511 3.559 . 0 0 "[ . 1 . 2]" 1
429 1 21 GLN H 1 22 VAL H . . 3.160 2.727 2.688 2.809 . 0 0 "[ . 1 . 2]" 1
430 1 21 GLN H 1 22 VAL HB . . 4.830 4.834 4.770 4.867 0.037 12 0 "[ . 1 . 2]" 1
431 1 21 GLN HG3 1 22 VAL H . . 5.070 4.422 3.919 4.871 . 0 0 "[ . 1 . 2]" 1
432 1 21 GLN QB 1 22 VAL H . . 4.220 2.417 2.321 2.529 . 0 0 "[ . 1 . 2]" 1
433 1 21 GLN H 1 22 VAL HA . . 5.450 5.319 5.295 5.378 . 0 0 "[ . 1 . 2]" 1
434 1 21 GLN HG2 1 22 VAL H . . 4.730 4.290 3.937 5.012 0.282 6 0 "[ . 1 . 2]" 1
435 1 21 GLN QB 1 23 ALA H . . 5.020 4.834 4.722 4.907 . 0 0 "[ . 1 . 2]" 1
436 1 21 GLN H 1 23 ALA MB . . 5.500 4.964 4.896 5.120 . 0 0 "[ . 1 . 2]" 1
437 1 21 GLN H 1 23 ALA H . . 4.520 4.365 4.229 4.457 . 0 0 "[ . 1 . 2]" 1
438 1 21 GLN HA 1 24 PHE HB2 . . 4.150 3.702 3.410 3.999 . 0 0 "[ . 1 . 2]" 1
439 1 21 GLN HA 1 24 PHE HB3 . . 3.970 2.696 2.562 2.818 . 0 0 "[ . 1 . 2]" 1
440 1 21 GLN H 1 24 PHE H . . 4.730 4.695 4.617 4.755 0.025 17 0 "[ . 1 . 2]" 1
441 1 21 GLN HA 1 24 PHE H . . 3.770 3.631 3.481 3.744 . 0 0 "[ . 1 . 2]" 1
442 1 21 GLN HA 1 24 PHE QD . . 4.500 4.074 3.566 4.316 . 0 0 "[ . 1 . 2]" 1
443 1 21 GLN QB 1 25 LEU H . . 5.300 4.710 4.525 4.833 . 0 0 "[ . 1 . 2]" 1
444 1 21 GLN QB 1 25 LEU QD . . 3.960 2.997 2.803 3.200 . 0 0 "[ . 1 . 2]" 1
445 1 21 GLN HA 1 70 ILE MG . . 4.330 3.947 3.634 4.271 . 0 0 "[ . 1 . 2]" 1
446 1 21 GLN HE21 1 70 ILE HG13 . . 5.500 4.364 3.512 4.990 . 0 0 "[ . 1 . 2]" 1
447 1 21 GLN HE22 1 70 ILE HG12 . . 4.860 2.363 1.921 3.215 . 0 0 "[ . 1 . 2]" 1
448 1 21 GLN HE22 1 70 ILE MD . . 5.200 3.796 3.398 4.414 . 0 0 "[ . 1 . 2]" 1
449 1 21 GLN QB 1 70 ILE MD . . 4.640 2.696 2.290 3.485 . 0 0 "[ . 1 . 2]" 1
450 1 21 GLN HE22 1 70 ILE HA . . 4.500 2.326 1.935 3.621 . 0 0 "[ . 1 . 2]" 1
451 1 21 GLN HG2 1 70 ILE MG . . 5.500 3.875 1.959 4.470 . 0 0 "[ . 1 . 2]" 1
452 1 21 GLN HE21 1 70 ILE HG12 . . 4.960 2.757 1.945 3.332 . 0 0 "[ . 1 . 2]" 1
453 1 21 GLN HE22 1 70 ILE HG13 . . 5.290 3.851 3.440 4.712 . 0 0 "[ . 1 . 2]" 1
454 1 21 GLN HE21 1 70 ILE MG . . 4.750 3.047 2.589 3.584 . 0 0 "[ . 1 . 2]" 1
455 1 21 GLN HA 1 70 ILE MD . . 3.570 2.526 2.253 2.730 . 0 0 "[ . 1 . 2]" 1
456 1 21 GLN HG2 1 70 ILE MD . . 4.010 3.867 2.219 4.545 0.535 18 1 "[ . 1 . + 2]" 1
457 1 21 GLN H 1 70 ILE MD . . 4.800 4.786 4.607 4.918 0.118 16 0 "[ . 1 . 2]" 1
458 1 21 GLN HE22 1 70 ILE MG . . 4.790 3.012 2.591 4.177 . 0 0 "[ . 1 . 2]" 1
459 1 21 GLN HE21 1 70 ILE H . . 5.130 4.973 4.187 5.197 0.067 4 0 "[ . 1 . 2]" 1
460 1 21 GLN H 1 70 ILE MG . . 5.420 5.408 5.146 5.483 0.063 12 0 "[ . 1 . 2]" 1
461 1 21 GLN HE21 1 70 ILE MD . . 5.200 3.865 3.480 4.147 . 0 0 "[ . 1 . 2]" 1
462 1 21 GLN HE22 1 70 ILE H . . 4.860 4.242 3.753 5.201 0.341 12 0 "[ . 1 . 2]" 1
463 1 21 GLN HE21 1 70 ILE HA . . 4.500 2.871 2.114 3.418 . 0 0 "[ . 1 . 2]" 1
464 1 21 GLN QB 1 70 ILE MG . . 4.120 2.627 2.405 3.242 . 0 0 "[ . 1 . 2]" 1
465 1 21 GLN HE21 1 71 PRO HD2 . . 4.920 3.363 2.540 4.345 . 0 0 "[ . 1 . 2]" 1
466 1 21 GLN HE22 1 71 PRO HD2 . . 4.700 3.265 2.363 4.566 . 0 0 "[ . 1 . 2]" 1
467 1 21 GLN HE22 1 71 PRO HD3 . . 5.020 3.410 2.461 4.521 . 0 0 "[ . 1 . 2]" 1
468 1 21 GLN HE21 1 71 PRO HD3 . . 5.470 3.683 2.910 4.615 . 0 0 "[ . 1 . 2]" 1
469 1 22 VAL H 1 22 VAL MG1 . . 3.800 3.756 3.751 3.761 . 0 0 "[ . 1 . 2]" 1
470 1 22 VAL HA 1 22 VAL MG2 . . 2.920 2.241 2.204 2.320 . 0 0 "[ . 1 . 2]" 1
471 1 22 VAL H 1 22 VAL MG2 . . 3.000 2.280 2.173 2.389 . 0 0 "[ . 1 . 2]" 1
472 1 22 VAL H 1 22 VAL HB . . 2.780 2.480 2.453 2.518 . 0 0 "[ . 1 . 2]" 1
473 1 22 VAL HA 1 22 VAL MG1 . . 3.120 2.431 2.399 2.463 . 0 0 "[ . 1 . 2]" 1
474 1 22 VAL HB 1 23 ALA H . . 3.020 2.374 2.325 2.517 . 0 0 "[ . 1 . 2]" 1
475 1 22 VAL MG1 1 23 ALA HA . . 4.000 3.180 3.066 3.332 . 0 0 "[ . 1 . 2]" 1
476 1 22 VAL MG1 1 23 ALA MB . . 3.840 3.789 3.657 3.862 0.022 14 0 "[ . 1 . 2]" 1
477 1 22 VAL H 1 23 ALA MB . . 4.550 4.439 4.347 4.512 . 0 0 "[ . 1 . 2]" 1
478 1 22 VAL H 1 23 ALA H . . 3.130 2.833 2.767 2.906 . 0 0 "[ . 1 . 2]" 1
479 1 22 VAL MG1 1 23 ALA H . . 3.500 3.069 2.945 3.203 . 0 0 "[ . 1 . 2]" 1
480 1 22 VAL MG2 1 23 ALA H . . 4.000 3.807 3.761 3.870 . 0 0 "[ . 1 . 2]" 1
481 1 22 VAL HA 1 24 PHE H . . 4.690 4.385 4.283 4.484 . 0 0 "[ . 1 . 2]" 1
482 1 22 VAL H 1 24 PHE H . . 4.260 4.089 4.011 4.147 . 0 0 "[ . 1 . 2]" 1
483 1 22 VAL HA 1 25 LEU QD . . 3.520 2.852 2.496 3.123 . 0 0 "[ . 1 . 2]" 1
484 1 22 VAL H 1 25 LEU QD . . 4.480 4.307 4.171 4.468 . 0 0 "[ . 1 . 2]" 1
485 1 22 VAL HA 1 25 LEU H . . 3.830 3.562 3.504 3.631 . 0 0 "[ . 1 . 2]" 1
486 1 22 VAL MG1 1 26 GLU HG2 . . 4.650 3.640 3.544 3.727 . 0 0 "[ . 1 . 2]" 1
487 1 22 VAL MG1 1 26 GLU HG3 . . 4.650 4.709 4.688 4.733 0.083 6 0 "[ . 1 . 2]" 1
488 1 22 VAL MG1 1 26 GLU HB2 . . 5.000 4.431 4.357 4.613 . 0 0 "[ . 1 . 2]" 1
489 1 22 VAL MG1 1 26 GLU H . . 4.270 3.784 3.613 3.944 . 0 0 "[ . 1 . 2]" 1
490 1 22 VAL MG1 1 26 GLU HB3 . . 4.160 3.158 2.996 3.371 . 0 0 "[ . 1 . 2]" 1
491 1 22 VAL HA 1 26 GLU H . . 4.150 3.878 3.813 3.978 . 0 0 "[ . 1 . 2]" 1
492 1 22 VAL MG1 1 26 GLU HA . . 5.500 5.164 5.042 5.329 . 0 0 "[ . 1 . 2]" 1
493 1 22 VAL MG1 1 43 THR H . . 4.680 4.087 3.705 4.390 . 0 0 "[ . 1 . 2]" 1
494 1 22 VAL MG1 1 43 THR HA . . 4.800 2.615 2.446 2.861 . 0 0 "[ . 1 . 2]" 1
495 1 22 VAL MG2 1 44 GLU H . . 4.850 4.855 4.748 4.887 0.037 20 0 "[ . 1 . 2]" 1
496 1 22 VAL MG2 1 44 GLU HA . . 4.350 4.368 4.204 4.420 0.070 10 0 "[ . 1 . 2]" 1
497 1 22 VAL MG2 1 45 PRO HD2 . . 4.500 4.352 4.182 4.526 0.026 11 0 "[ . 1 . 2]" 1
498 1 22 VAL MG2 1 45 PRO HB2 . . 3.590 3.441 3.151 3.858 0.268 17 0 "[ . 1 . 2]" 1
499 1 22 VAL MG2 1 45 PRO HD3 . . 4.300 3.121 2.972 3.319 . 0 0 "[ . 1 . 2]" 1
500 1 22 VAL MG2 1 45 PRO HB3 . . 3.850 2.172 1.879 2.617 . 0 0 "[ . 1 . 2]" 1
501 1 22 VAL HA 1 45 PRO HA . . 5.180 4.921 4.711 5.138 . 0 0 "[ . 1 . 2]" 1
502 1 22 VAL MG2 1 45 PRO HA . . 3.470 2.170 1.998 2.357 . 0 0 "[ . 1 . 2]" 1
503 1 22 VAL MG2 1 46 GLY H . . 4.500 3.520 3.335 3.708 . 0 0 "[ . 1 . 2]" 1
504 1 22 VAL MG2 1 47 GLN H . . 5.350 4.615 4.486 4.767 . 0 0 "[ . 1 . 2]" 1
505 1 23 ALA H 1 23 ALA MB . . 2.560 2.209 2.123 2.233 . 0 0 "[ . 1 . 2]" 1
506 1 23 ALA MB 1 24 PHE H . . 2.960 2.590 2.530 2.681 . 0 0 "[ . 1 . 2]" 1
507 1 23 ALA H 1 24 PHE H . . 3.260 2.740 2.655 2.789 . 0 0 "[ . 1 . 2]" 1
508 1 23 ALA H 1 24 PHE HB2 . . 5.500 5.248 5.062 5.520 0.020 8 0 "[ . 1 . 2]" 1
509 1 23 ALA H 1 24 PHE HB3 . . 5.500 4.885 4.718 4.982 . 0 0 "[ . 1 . 2]" 1
510 1 23 ALA MB 1 24 PHE HB2 . . 4.410 4.141 4.065 4.306 . 0 0 "[ . 1 . 2]" 1
511 1 23 ALA MB 1 24 PHE HA . . 4.030 3.817 3.749 3.854 . 0 0 "[ . 1 . 2]" 1
512 1 23 ALA MB 1 24 PHE HB3 . . 5.040 4.589 4.385 4.720 . 0 0 "[ . 1 . 2]" 1
513 1 23 ALA H 1 25 LEU H . . 4.640 4.331 4.221 4.411 . 0 0 "[ . 1 . 2]" 1
514 1 23 ALA HA 1 25 LEU H . . 4.890 4.572 4.419 4.697 . 0 0 "[ . 1 . 2]" 1
515 1 23 ALA MB 1 26 GLU HG3 . . 4.880 4.336 4.226 4.436 . 0 0 "[ . 1 . 2]" 1
516 1 23 ALA H 1 26 GLU H . . 5.050 4.808 4.760 4.844 . 0 0 "[ . 1 . 2]" 1
517 1 23 ALA HA 1 26 GLU HB3 . . 3.860 3.897 3.862 3.967 0.107 6 0 "[ . 1 . 2]" 1
518 1 23 ALA HA 1 26 GLU H . . 4.000 3.696 3.645 3.734 . 0 0 "[ . 1 . 2]" 1
519 1 23 ALA HA 1 26 GLU HG3 . . 3.570 3.229 3.105 3.318 . 0 0 "[ . 1 . 2]" 1
520 1 23 ALA MB 1 26 GLU H . . 4.800 4.828 4.808 4.850 0.050 19 0 "[ . 1 . 2]" 1
521 1 23 ALA HA 1 26 GLU HG2 . . 3.670 1.949 1.931 1.973 . 0 0 "[ . 1 . 2]" 1
522 1 23 ALA HA 1 26 GLU HB2 . . 4.690 4.673 4.635 4.714 0.024 15 0 "[ . 1 . 2]" 1
523 1 23 ALA HA 1 27 ALA H . . 4.060 3.940 3.892 3.994 . 0 0 "[ . 1 . 2]" 1
524 1 23 ALA MB 1 27 ALA H . . 4.810 4.575 4.530 4.611 . 0 0 "[ . 1 . 2]" 1
525 1 24 PHE H 1 24 PHE HB2 . . 3.030 2.650 2.535 2.863 . 0 0 "[ . 1 . 2]" 1
526 1 24 PHE HA 1 24 PHE QD . . 3.480 2.925 2.686 3.059 . 0 0 "[ . 1 . 2]" 1
527 1 24 PHE H 1 24 PHE QD . . 4.000 4.144 4.006 4.189 0.189 16 0 "[ . 1 . 2]" 1
528 1 24 PHE H 1 24 PHE HB3 . . 2.980 2.428 2.247 2.529 . 0 0 "[ . 1 . 2]" 1
529 1 24 PHE QD 1 25 LEU H . . 3.590 3.115 2.621 3.457 . 0 0 "[ . 1 . 2]" 1
530 1 24 PHE H 1 25 LEU QD . . 5.430 4.516 3.866 4.938 . 0 0 "[ . 1 . 2]" 1
531 1 24 PHE QD 1 25 LEU QD . . 3.360 2.458 1.895 2.927 . 0 0 "[ . 1 . 2]" 1
532 1 24 PHE HB3 1 25 LEU H . . 3.490 2.552 2.453 2.765 . 0 0 "[ . 1 . 2]" 1
533 1 24 PHE QD 1 25 LEU HG . . 4.500 3.213 2.153 4.326 . 0 0 "[ . 1 . 2]" 1
534 1 24 PHE H 1 25 LEU H . . 3.210 2.677 2.636 2.706 . 0 0 "[ . 1 . 2]" 1
535 1 24 PHE HB3 1 25 LEU QD . . 4.900 3.552 2.535 4.211 . 0 0 "[ . 1 . 2]" 1
536 1 24 PHE HB3 1 25 LEU HG . . 5.430 4.204 3.398 5.517 0.087 12 0 "[ . 1 . 2]" 1
537 1 24 PHE HB2 1 25 LEU QD . . 5.500 4.855 4.024 5.322 . 0 0 "[ . 1 . 2]" 1
538 1 24 PHE HB2 1 25 LEU H . . 4.060 3.893 3.810 4.063 0.003 8 0 "[ . 1 . 2]" 1
539 1 24 PHE HA 1 26 GLU H . . 4.890 4.753 4.581 4.851 . 0 0 "[ . 1 . 2]" 1
540 1 24 PHE H 1 26 GLU H . . 4.430 4.241 4.089 4.325 . 0 0 "[ . 1 . 2]" 1
541 1 24 PHE HA 1 27 ALA MB . . 3.330 2.418 2.339 2.490 . 0 0 "[ . 1 . 2]" 1
542 1 24 PHE HA 1 27 ALA H . . 3.820 3.564 3.480 3.636 . 0 0 "[ . 1 . 2]" 1
543 1 24 PHE H 1 27 ALA H . . 4.740 4.538 4.483 4.592 . 0 0 "[ . 1 . 2]" 1
544 1 24 PHE QD 1 27 ALA MB . . 4.540 4.232 4.076 4.345 . 0 0 "[ . 1 . 2]" 1
545 1 24 PHE QE 1 28 LEU HB2 . . 4.800 5.063 4.913 5.213 0.413 16 0 "[ . 1 . 2]" 1
546 1 24 PHE HA 1 28 LEU H . . 4.800 4.018 3.933 4.084 . 0 0 "[ . 1 . 2]" 1
547 1 24 PHE QD 1 28 LEU HB3 . . 4.500 4.463 4.361 4.560 0.060 14 0 "[ . 1 . 2]" 1
548 1 24 PHE QD 1 28 LEU H . . 5.500 4.904 4.803 4.998 . 0 0 "[ . 1 . 2]" 1
549 1 24 PHE QE 1 64 MET QG . . 4.500 2.778 2.523 3.212 . 0 0 "[ . 1 . 2]" 1
550 1 24 PHE QE 1 64 MET QB . . 4.370 4.353 4.215 4.423 0.053 20 0 "[ . 1 . 2]" 1
551 1 24 PHE QE 1 64 MET ME . . 3.570 2.898 2.654 3.179 . 0 0 "[ . 1 . 2]" 1
552 1 24 PHE QD 1 68 LYS HE2 . . 4.200 3.656 2.441 4.289 0.089 8 0 "[ . 1 . 2]" 1
553 1 24 PHE QE 1 68 LYS HE3 . . 4.200 3.522 2.393 4.211 0.011 11 0 "[ . 1 . 2]" 1
554 1 24 PHE QE 1 68 LYS HG3 . . 4.200 3.419 2.684 3.788 . 0 0 "[ . 1 . 2]" 1
555 1 24 PHE QE 1 68 LYS HE2 . . 4.200 2.997 2.287 4.099 . 0 0 "[ . 1 . 2]" 1
556 1 24 PHE QD 1 68 LYS HG3 . . 4.200 3.621 2.951 3.995 . 0 0 "[ . 1 . 2]" 1
557 1 24 PHE QE 1 68 LYS HG2 . . 4.200 3.903 3.333 4.198 . 0 0 "[ . 1 . 2]" 1
558 1 24 PHE QD 1 70 ILE MD . . 3.000 2.548 2.311 2.797 . 0 0 "[ . 1 . 2]" 1
559 1 24 PHE H 1 70 ILE MD . . 5.160 4.878 4.670 5.007 . 0 0 "[ . 1 . 2]" 1
560 1 24 PHE HB3 1 70 ILE MD . . 3.950 3.073 2.872 3.202 . 0 0 "[ . 1 . 2]" 1
561 1 24 PHE HB2 1 70 ILE MD . . 4.170 3.972 3.619 4.201 0.031 6 0 "[ . 1 . 2]" 1
562 1 24 PHE QD 1 70 ILE MG . . 4.800 4.482 3.974 4.812 0.012 6 0 "[ . 1 . 2]" 1
563 1 25 LEU HA 1 25 LEU HG . . 3.850 2.849 2.670 2.981 . 0 0 "[ . 1 . 2]" 1
564 1 25 LEU HA 1 25 LEU QD . . 3.070 2.094 1.962 2.252 . 0 0 "[ . 1 . 2]" 1
565 1 25 LEU H 1 25 LEU QD . . 3.510 2.806 2.044 3.208 . 0 0 "[ . 1 . 2]" 1
566 1 25 LEU H 1 25 LEU QB . . 3.430 2.285 2.145 2.415 . 0 0 "[ . 1 . 2]" 1
567 1 25 LEU H 1 25 LEU HG . . 4.200 3.031 2.312 4.176 . 0 0 "[ . 1 . 2]" 1
568 1 25 LEU QD 1 26 GLU H . . 4.800 3.888 3.759 4.015 . 0 0 "[ . 1 . 2]" 1
569 1 25 LEU QB 1 26 GLU H . . 3.660 2.434 2.332 2.534 . 0 0 "[ . 1 . 2]" 1
570 1 25 LEU H 1 26 GLU HA . . 5.410 5.306 5.271 5.340 . 0 0 "[ . 1 . 2]" 1
571 1 25 LEU HG 1 26 GLU H . . 5.200 4.629 4.296 5.054 . 0 0 "[ . 1 . 2]" 1
572 1 25 LEU H 1 26 GLU H . . 3.190 2.709 2.669 2.747 . 0 0 "[ . 1 . 2]" 1
573 1 25 LEU H 1 27 ALA H . . 4.170 3.826 3.753 3.921 . 0 0 "[ . 1 . 2]" 1
574 1 25 LEU QB 1 27 ALA H . . 4.670 4.370 4.317 4.486 . 0 0 "[ . 1 . 2]" 1
575 1 25 LEU H 1 27 ALA MB . . 4.690 4.489 4.449 4.574 . 0 0 "[ . 1 . 2]" 1
576 1 25 LEU HA 1 28 LEU H . . 3.800 3.675 3.603 3.777 . 0 0 "[ . 1 . 2]" 1
577 1 25 LEU QB 1 38 TRP HZ3 . . 4.800 3.141 2.942 3.467 . 0 0 "[ . 1 . 2]" 1
578 1 25 LEU QB 1 42 PRO HB3 . . 4.500 2.892 2.522 3.462 . 0 0 "[ . 1 . 2]" 1
579 1 25 LEU QB 1 42 PRO HB2 . . 4.500 2.697 2.477 3.164 . 0 0 "[ . 1 . 2]" 1
580 1 25 LEU QD 1 61 PHE QE . . 4.350 3.421 3.058 3.934 . 0 0 "[ . 1 . 2]" 1
581 1 25 LEU QD 1 65 LEU QD . . 4.200 2.240 1.853 2.881 . 0 0 "[ . 1 . 2]" 1
582 1 25 LEU QD 1 70 ILE MG . . 5.000 2.589 2.291 2.836 . 0 0 "[ . 1 . 2]" 1
583 1 25 LEU HG 1 70 ILE MD . . 4.800 3.497 2.734 4.591 . 0 0 "[ . 1 . 2]" 1
584 1 25 LEU QD 1 70 ILE MD . . 3.010 2.415 2.065 2.739 . 0 0 "[ . 1 . 2]" 1
585 1 25 LEU QD 1 70 ILE HG12 . . 5.500 4.579 4.115 4.961 . 0 0 "[ . 1 . 2]" 1
586 1 25 LEU QD 1 70 ILE HB . . 4.890 4.053 3.873 4.261 . 0 0 "[ . 1 . 2]" 1
587 1 25 LEU HG 1 70 ILE MG . . 4.800 4.071 3.558 4.803 0.003 14 0 "[ . 1 . 2]" 1
588 1 25 LEU H 1 70 ILE MD . . 4.560 4.229 4.028 4.392 . 0 0 "[ . 1 . 2]" 1
589 1 26 GLU H 1 26 GLU HG3 . . 4.030 3.662 3.558 3.726 . 0 0 "[ . 1 . 2]" 1
590 1 26 GLU HA 1 26 GLU HG2 . . 4.200 3.753 3.725 3.789 . 0 0 "[ . 1 . 2]" 1
591 1 26 GLU H 1 26 GLU HB2 . . 3.650 3.579 3.569 3.592 . 0 0 "[ . 1 . 2]" 1
592 1 26 GLU HB3 1 26 GLU HG2 . . 2.610 2.485 2.446 2.519 . 0 0 "[ . 1 . 2]" 1
593 1 26 GLU HA 1 26 GLU HG3 . . 3.800 3.707 3.670 3.743 . 0 0 "[ . 1 . 2]" 1
594 1 26 GLU H 1 26 GLU HB3 . . 2.930 2.391 2.354 2.462 . 0 0 "[ . 1 . 2]" 1
595 1 26 GLU H 1 26 GLU HG2 . . 2.960 2.397 2.259 2.464 . 0 0 "[ . 1 . 2]" 1
596 1 26 GLU H 1 27 ALA MB . . 4.330 4.242 4.184 4.278 . 0 0 "[ . 1 . 2]" 1
597 1 26 GLU HG2 1 27 ALA H . . 3.830 2.501 2.406 2.604 . 0 0 "[ . 1 . 2]" 1
598 1 26 GLU HB2 1 27 ALA H . . 4.210 4.091 4.027 4.125 . 0 0 "[ . 1 . 2]" 1
599 1 26 GLU HG3 1 27 ALA H . . 4.260 2.944 2.735 3.066 . 0 0 "[ . 1 . 2]" 1
600 1 26 GLU H 1 27 ALA HA . . 5.500 5.181 5.142 5.211 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLU H 1 27 ALA H . . 3.140 2.573 2.521 2.605 . 0 0 "[ . 1 . 2]" 1
602 1 26 GLU HB3 1 27 ALA H . . 3.970 3.939 3.883 3.970 0.000 6 0 "[ . 1 . 2]" 1
603 1 26 GLU HA 1 27 ALA MB . . 5.430 4.988 4.982 4.999 . 0 0 "[ . 1 . 2]" 1
604 1 26 GLU HA 1 28 LEU H . . 4.800 4.696 4.627 4.759 . 0 0 "[ . 1 . 2]" 1
605 1 26 GLU H 1 28 LEU H . . 4.460 4.471 4.390 4.495 0.035 20 0 "[ . 1 . 2]" 1
606 1 26 GLU HA 1 29 ALA H . . 3.610 3.530 3.463 3.603 . 0 0 "[ . 1 . 2]" 1
607 1 26 GLU HG3 1 29 ALA MB . . 5.500 5.074 4.948 5.201 . 0 0 "[ . 1 . 2]" 1
608 1 26 GLU HA 1 29 ALA MB . . 3.120 2.492 2.388 2.573 . 0 0 "[ . 1 . 2]" 1
609 1 26 GLU H 1 29 ALA H . . 4.970 4.812 4.772 4.870 . 0 0 "[ . 1 . 2]" 1
610 1 26 GLU HG2 1 29 ALA MB . . 5.500 5.436 5.384 5.471 . 0 0 "[ . 1 . 2]" 1
611 1 26 GLU HB3 1 29 ALA MB . . 4.990 4.634 4.556 4.713 . 0 0 "[ . 1 . 2]" 1
612 1 26 GLU HB2 1 29 ALA MB . . 4.570 4.100 3.999 4.224 . 0 0 "[ . 1 . 2]" 1
613 1 26 GLU H 1 29 ALA MB . . 4.610 4.499 4.428 4.605 . 0 0 "[ . 1 . 2]" 1
614 1 26 GLU HA 1 30 LYS H . . 4.920 4.930 4.871 4.956 0.036 17 0 "[ . 1 . 2]" 1
615 1 26 GLU H 1 42 PRO HG2 . . 4.090 3.857 3.411 4.245 0.155 5 0 "[ . 1 . 2]" 1
616 1 26 GLU HA 1 42 PRO HG3 . . 3.930 2.751 2.515 3.484 . 0 0 "[ . 1 . 2]" 1
617 1 26 GLU HA 1 42 PRO HG2 . . 3.470 2.099 1.982 2.433 . 0 0 "[ . 1 . 2]" 1
618 1 26 GLU H 1 42 PRO HG3 . . 4.570 4.343 4.133 4.527 . 0 0 "[ . 1 . 2]" 1
619 1 26 GLU HB2 1 43 THR HA . . 4.820 4.823 4.788 4.854 0.034 20 0 "[ . 1 . 2]" 1
620 1 26 GLU HB3 1 43 THR HA . . 4.000 4.013 3.949 4.047 0.047 2 0 "[ . 1 . 2]" 1
621 1 27 ALA H 1 27 ALA MB . . 2.550 2.201 2.159 2.239 . 0 0 "[ . 1 . 2]" 1
622 1 27 ALA HA 1 28 LEU H . . 3.480 3.562 3.560 3.565 0.085 4 0 "[ . 1 . 2]" 1
623 1 27 ALA MB 1 28 LEU HA . . 4.050 3.794 3.768 3.807 . 0 0 "[ . 1 . 2]" 1
624 1 27 ALA MB 1 28 LEU H . . 2.870 2.415 2.358 2.455 . 0 0 "[ . 1 . 2]" 1
625 1 27 ALA HA 1 29 ALA MB . . 5.080 4.708 4.659 4.783 . 0 0 "[ . 1 . 2]" 1
626 1 27 ALA H 1 29 ALA MB . . 4.880 4.427 4.398 4.485 . 0 0 "[ . 1 . 2]" 1
627 1 27 ALA MB 1 29 ALA MB . . 5.310 5.046 5.024 5.063 . 0 0 "[ . 1 . 2]" 1
628 1 27 ALA H 1 29 ALA H . . 4.130 3.796 3.745 3.864 . 0 0 "[ . 1 . 2]" 1
629 1 27 ALA HA 1 30 LYS HG2 . . 4.800 4.207 3.025 4.797 . 0 0 "[ . 1 . 2]" 1
630 1 27 ALA HA 1 30 LYS QD . . 4.500 3.319 2.120 4.463 . 0 0 "[ . 1 . 2]" 1
631 1 27 ALA MB 1 30 LYS H . . 4.840 4.690 4.646 4.720 . 0 0 "[ . 1 . 2]" 1
632 1 27 ALA H 1 30 LYS H . . 5.360 5.153 5.083 5.200 . 0 0 "[ . 1 . 2]" 1
633 1 27 ALA HA 1 30 LYS QE . . 4.650 3.784 2.573 4.631 . 0 0 "[ . 1 . 2]" 1
634 1 27 ALA HA 1 30 LYS H . . 3.940 3.858 3.811 3.906 . 0 0 "[ . 1 . 2]" 1
635 1 27 ALA HA 1 30 LYS HG3 . . 4.800 2.957 2.436 3.390 . 0 0 "[ . 1 . 2]" 1
636 1 28 LEU H 1 28 LEU MD2 . . 4.800 3.190 3.160 3.244 . 0 0 "[ . 1 . 2]" 1
637 1 28 LEU HB3 1 28 LEU MD2 . . 3.500 2.068 1.974 2.176 . 0 0 "[ . 1 . 2]" 1
638 1 28 LEU H 1 28 LEU HB3 . . 3.500 2.259 2.236 2.275 . 0 0 "[ . 1 . 2]" 1
639 1 28 LEU HA 1 28 LEU MD2 . . 4.200 4.111 4.098 4.123 . 0 0 "[ . 1 . 2]" 1
640 1 28 LEU H 1 28 LEU HB2 . . 3.500 3.534 3.523 3.542 0.042 20 0 "[ . 1 . 2]" 1
641 1 28 LEU H 1 28 LEU HG . . 4.500 2.818 2.785 2.874 . 0 0 "[ . 1 . 2]" 1
642 1 28 LEU HB2 1 28 LEU MD2 . . 3.500 2.688 2.646 2.711 . 0 0 "[ . 1 . 2]" 1
643 1 28 LEU HB3 1 28 LEU MD1 . . 3.500 3.112 3.106 3.127 . 0 0 "[ . 1 . 2]" 1
644 1 28 LEU HB2 1 28 LEU MD1 . . 3.500 2.054 2.002 2.181 . 0 0 "[ . 1 . 2]" 1
645 1 28 LEU HA 1 28 LEU MD1 . . 4.000 3.468 3.376 3.488 . 0 0 "[ . 1 . 2]" 1
646 1 28 LEU HA 1 28 LEU HG . . 4.070 3.682 3.678 3.685 . 0 0 "[ . 1 . 2]" 1
647 1 28 LEU H 1 28 LEU HA . . 2.870 2.824 2.815 2.835 . 0 0 "[ . 1 . 2]" 1
648 1 28 LEU H 1 28 LEU MD1 . . 4.800 4.069 4.049 4.097 . 0 0 "[ . 1 . 2]" 1
649 1 28 LEU HG 1 29 ALA H . . 4.800 2.158 2.145 2.171 . 0 0 "[ . 1 . 2]" 1
650 1 28 LEU HG 1 29 ALA MB . . 5.500 3.244 3.196 3.265 . 0 0 "[ . 1 . 2]" 1
651 1 28 LEU H 1 29 ALA H . . 3.070 2.589 2.557 2.614 . 0 0 "[ . 1 . 2]" 1
652 1 28 LEU MD2 1 29 ALA H . . 4.800 3.790 3.777 3.800 . 0 0 "[ . 1 . 2]" 1
653 1 28 LEU HB3 1 29 ALA H . . 3.670 3.773 3.755 3.785 0.115 3 0 "[ . 1 . 2]" 1
654 1 28 LEU HB2 1 29 ALA H . . 4.480 4.106 4.096 4.123 . 0 0 "[ . 1 . 2]" 1
655 1 28 LEU MD1 1 29 ALA H . . 4.800 3.141 3.102 3.234 . 0 0 "[ . 1 . 2]" 1
656 1 28 LEU HB3 1 29 ALA MB . . 5.240 5.234 5.204 5.253 0.013 3 0 "[ . 1 . 2]" 1
657 1 28 LEU H 1 29 ALA MB . . 4.230 4.214 4.175 4.234 0.004 17 0 "[ . 1 . 2]" 1
658 1 28 LEU HA 1 29 ALA MB . . 5.100 4.973 4.968 4.979 . 0 0 "[ . 1 . 2]" 1
659 1 28 LEU H 1 29 ALA HA . . 5.410 5.170 5.143 5.190 . 0 0 "[ . 1 . 2]" 1
660 1 28 LEU HB3 1 29 ALA HA . . 5.390 5.520 5.507 5.529 0.139 3 0 "[ . 1 . 2]" 1
661 1 28 LEU H 1 30 LYS H . . 4.500 4.224 4.159 4.270 . 0 0 "[ . 1 . 2]" 1
662 1 28 LEU HA 1 30 LYS H . . 4.500 3.768 3.679 3.831 . 0 0 "[ . 1 . 2]" 1
663 1 28 LEU HA 1 31 GLN HE21 . . 4.280 4.168 4.096 4.256 . 0 0 "[ . 1 . 2]" 1
664 1 28 LEU HA 1 31 GLN HG2 . . 3.900 3.374 3.284 3.427 . 0 0 "[ . 1 . 2]" 1
665 1 28 LEU MD1 1 31 GLN HG3 . . 4.710 3.723 3.628 3.746 . 0 0 "[ . 1 . 2]" 1
666 1 28 LEU HA 1 31 GLN HG3 . . 3.650 2.005 1.985 2.058 . 0 0 "[ . 1 . 2]" 1
667 1 28 LEU MD1 1 31 GLN HG2 . . 5.020 5.171 5.125 5.189 0.169 18 0 "[ . 1 . 2]" 1
668 1 28 LEU MD1 1 31 GLN H . . 4.600 4.163 4.089 4.229 . 0 0 "[ . 1 . 2]" 1
669 1 28 LEU HA 1 31 GLN HE22 . . 5.110 4.950 4.907 5.027 . 0 0 "[ . 1 . 2]" 1
670 1 28 LEU HA 1 31 GLN H . . 3.740 3.323 3.289 3.356 . 0 0 "[ . 1 . 2]" 1
671 1 28 LEU HG 1 34 LEU MD1 . . 4.210 4.138 4.044 4.217 0.007 20 0 "[ . 1 . 2]" 1
672 1 28 LEU MD2 1 34 LEU MD1 . . 4.200 3.927 3.866 4.030 . 0 0 "[ . 1 . 2]" 1
673 1 28 LEU H 1 34 LEU MD1 . . 5.500 5.523 5.443 5.559 0.059 11 0 "[ . 1 . 2]" 1
674 1 28 LEU HB3 1 34 LEU MD1 . . 4.750 4.516 4.444 4.575 . 0 0 "[ . 1 . 2]" 1
675 1 28 LEU MD1 1 34 LEU MD1 . . 4.200 1.966 1.859 2.055 . 0 0 "[ . 1 . 2]" 1
676 1 28 LEU HA 1 34 LEU MD2 . . 5.500 5.495 5.447 5.514 0.014 13 0 "[ . 1 . 2]" 1
677 1 28 LEU HB2 1 34 LEU MD1 . . 4.370 3.071 2.989 3.144 . 0 0 "[ . 1 . 2]" 1
678 1 28 LEU HA 1 34 LEU MD1 . . 4.070 3.884 3.829 3.930 . 0 0 "[ . 1 . 2]" 1
679 1 28 LEU MD1 1 36 PHE QD . . 3.980 3.211 3.112 3.323 . 0 0 "[ . 1 . 2]" 1
680 1 28 LEU MD2 1 36 PHE QE . . 5.200 4.954 4.856 5.096 . 0 0 "[ . 1 . 2]" 1
681 1 28 LEU MD1 1 36 PHE QE . . 3.490 3.364 3.181 3.424 . 0 0 "[ . 1 . 2]" 1
682 1 28 LEU H 1 38 TRP HH2 . . 5.500 5.284 5.161 5.495 . 0 0 "[ . 1 . 2]" 1
683 1 28 LEU MD1 1 38 TRP HZ2 . . 4.500 1.966 1.917 2.141 . 0 0 "[ . 1 . 2]" 1
684 1 28 LEU MD2 1 38 TRP HZ2 . . 4.500 3.399 3.167 3.572 . 0 0 "[ . 1 . 2]" 1
685 1 28 LEU HG 1 38 TRP HH2 . . 5.200 3.088 2.884 3.555 . 0 0 "[ . 1 . 2]" 1
686 1 28 LEU MD2 1 38 TRP HH2 . . 4.800 2.958 2.759 3.238 . 0 0 "[ . 1 . 2]" 1
687 1 28 LEU MD1 1 38 TRP HH2 . . 4.800 3.392 3.084 3.819 . 0 0 "[ . 1 . 2]" 1
688 1 28 LEU HG 1 38 TRP HZ2 . . 4.500 2.694 2.536 2.904 . 0 0 "[ . 1 . 2]" 1
689 1 28 LEU MD2 1 51 ILE MD . . 4.650 3.585 3.392 3.882 . 0 0 "[ . 1 . 2]" 1
690 1 28 LEU MD1 1 51 ILE MD . . 5.000 3.327 3.150 3.515 . 0 0 "[ . 1 . 2]" 1
691 1 28 LEU HB2 1 60 TRP HH2 . . 4.800 3.040 2.733 3.339 . 0 0 "[ . 1 . 2]" 1
692 1 28 LEU MD1 1 60 TRP HZ2 . . 5.500 4.508 4.134 4.963 . 0 0 "[ . 1 . 2]" 1
693 1 28 LEU HB3 1 60 TRP HH2 . . 4.800 4.508 4.230 4.782 . 0 0 "[ . 1 . 2]" 1
694 1 28 LEU MD2 1 60 TRP HZ2 . . 5.500 5.241 4.842 5.512 0.012 20 0 "[ . 1 . 2]" 1
695 1 28 LEU MD1 1 61 PHE HA . . 5.480 5.450 5.226 5.562 0.082 16 0 "[ . 1 . 2]" 1
696 1 28 LEU MD1 1 61 PHE QE . . 3.800 3.055 2.765 3.258 . 0 0 "[ . 1 . 2]" 1
697 1 28 LEU MD1 1 61 PHE QD . . 5.200 4.377 4.187 4.507 . 0 0 "[ . 1 . 2]" 1
698 1 28 LEU MD2 1 61 PHE QD . . 5.200 4.132 3.938 4.313 . 0 0 "[ . 1 . 2]" 1
699 1 28 LEU MD2 1 61 PHE QE . . 3.500 2.531 2.290 2.939 . 0 0 "[ . 1 . 2]" 1
700 1 28 LEU MD1 1 64 MET ME . . 4.000 2.681 2.313 3.367 . 0 0 "[ . 1 . 2]" 1
701 1 28 LEU MD2 1 64 MET ME . . 4.000 2.167 1.897 2.769 . 0 0 "[ . 1 . 2]" 1
702 1 29 ALA H 1 29 ALA MB . . 2.800 2.131 2.099 2.172 . 0 0 "[ . 1 . 2]" 1
703 1 29 ALA MB 1 30 LYS H . . 3.220 2.821 2.772 2.890 . 0 0 "[ . 1 . 2]" 1
704 1 29 ALA MB 1 30 LYS HA . . 4.170 3.814 3.793 3.852 . 0 0 "[ . 1 . 2]" 1
705 1 29 ALA MB 1 30 LYS HG2 . . 5.000 3.850 3.268 4.462 . 0 0 "[ . 1 . 2]" 1
706 1 29 ALA MB 1 30 LYS HG3 . . 5.000 3.809 3.293 4.927 . 0 0 "[ . 1 . 2]" 1
707 1 29 ALA H 1 30 LYS HG3 . . 5.500 4.397 4.102 5.573 0.073 14 0 "[ . 1 . 2]" 1
708 1 29 ALA H 1 30 LYS H . . 3.210 2.721 2.687 2.732 . 0 0 "[ . 1 . 2]" 1
709 1 29 ALA MB 1 30 LYS QD . . 4.830 4.612 3.483 4.832 0.002 12 0 "[ . 1 . 2]" 1
710 1 29 ALA MB 1 31 GLN H . . 4.540 4.429 4.373 4.484 . 0 0 "[ . 1 . 2]" 1
711 1 29 ALA H 1 31 GLN H . . 4.290 4.189 4.149 4.227 . 0 0 "[ . 1 . 2]" 1
712 1 29 ALA HA 1 31 GLN H . . 4.500 3.920 3.834 4.002 . 0 0 "[ . 1 . 2]" 1
713 1 29 ALA H 1 31 GLN HG3 . . 4.990 4.760 4.743 4.793 . 0 0 "[ . 1 . 2]" 1
714 1 29 ALA H 1 34 LEU MD1 . . 5.030 4.704 4.583 4.767 . 0 0 "[ . 1 . 2]" 1
715 1 29 ALA MB 1 38 TRP HD1 . . 5.200 4.252 3.945 4.396 . 0 0 "[ . 1 . 2]" 1
716 1 29 ALA HA 1 38 TRP HZ2 . . 4.000 2.274 2.089 2.627 . 0 0 "[ . 1 . 2]" 1
717 1 29 ALA HA 1 38 TRP HD1 . . 4.800 4.749 4.477 4.835 0.035 12 0 "[ . 1 . 2]" 1
718 1 29 ALA HA 1 38 TRP HH2 . . 4.800 4.242 4.025 4.766 . 0 0 "[ . 1 . 2]" 1
719 1 29 ALA MB 1 38 TRP HZ2 . . 3.800 2.729 2.547 2.843 . 0 0 "[ . 1 . 2]" 1
720 1 29 ALA MB 1 38 TRP HE3 . . 5.500 4.139 3.944 4.299 . 0 0 "[ . 1 . 2]" 1
721 1 29 ALA MB 1 38 TRP HZ3 . . 5.500 3.864 3.665 4.134 . 0 0 "[ . 1 . 2]" 1
722 1 29 ALA MB 1 38 TRP HH2 . . 4.800 3.037 2.930 3.203 . 0 0 "[ . 1 . 2]" 1
723 1 29 ALA MB 1 42 PRO HD3 . . 4.650 3.955 3.790 4.289 . 0 0 "[ . 1 . 2]" 1
724 1 29 ALA MB 1 42 PRO HG3 . . 4.800 2.811 2.516 3.562 . 0 0 "[ . 1 . 2]" 1
725 1 29 ALA MB 1 42 PRO HD2 . . 4.650 3.756 3.636 4.227 . 0 0 "[ . 1 . 2]" 1
726 1 29 ALA MB 1 42 PRO HG2 . . 4.800 3.327 3.181 3.660 . 0 0 "[ . 1 . 2]" 1
727 1 30 LYS HA 1 30 LYS HG2 . . 3.850 2.697 2.556 3.092 . 0 0 "[ . 1 . 2]" 1
728 1 30 LYS H 1 30 LYS QD . . 4.500 3.750 3.374 4.147 . 0 0 "[ . 1 . 2]" 1
729 1 30 LYS H 1 30 LYS HG2 . . 3.800 2.955 1.977 3.612 . 0 0 "[ . 1 . 2]" 1
730 1 30 LYS HB3 1 30 LYS QD . . 2.980 2.473 2.035 2.897 . 0 0 "[ . 1 . 2]" 1
731 1 30 LYS HA 1 30 LYS HG3 . . 3.850 3.333 2.888 3.844 . 0 0 "[ . 1 . 2]" 1
732 1 30 LYS HB3 1 30 LYS QE . . 4.160 2.815 2.387 3.738 . 0 0 "[ . 1 . 2]" 1
733 1 30 LYS H 1 30 LYS HB3 . . 3.610 3.594 3.586 3.600 . 0 0 "[ . 1 . 2]" 1
734 1 30 LYS H 1 30 LYS QE . . 5.000 4.548 4.097 4.940 . 0 0 "[ . 1 . 2]" 1
735 1 30 LYS HB2 1 30 LYS QE . . 3.860 3.139 2.359 3.814 . 0 0 "[ . 1 . 2]" 1
736 1 30 LYS HA 1 30 LYS QE . . 4.960 4.460 3.901 4.930 . 0 0 "[ . 1 . 2]" 1
737 1 30 LYS QD 1 30 LYS QE . . 2.470 2.059 2.009 2.091 . 0 0 "[ . 1 . 2]" 1
738 1 30 LYS HA 1 30 LYS QD . . 4.200 3.701 2.123 4.206 0.006 5 0 "[ . 1 . 2]" 1
739 1 30 LYS HA 1 30 LYS HB3 . . 2.990 2.421 2.384 2.473 . 0 0 "[ . 1 . 2]" 1
740 1 30 LYS QD 1 30 LYS HG3 . . 2.570 2.313 2.154 2.512 . 0 0 "[ . 1 . 2]" 1
741 1 30 LYS H 1 30 LYS HB2 . . 2.880 2.591 2.485 2.677 . 0 0 "[ . 1 . 2]" 1
742 1 30 LYS H 1 30 LYS HG3 . . 3.800 2.384 2.071 3.446 . 0 0 "[ . 1 . 2]" 1
743 1 30 LYS QE 1 30 LYS HG2 . . 2.710 2.789 2.016 3.360 0.650 12 8 "[*- .* **1 + . **]" 1
744 1 30 LYS H 1 31 GLN H . . 2.890 2.538 2.480 2.569 . 0 0 "[ . 1 . 2]" 1
745 1 30 LYS H 1 31 GLN HG2 . . 4.790 4.782 4.705 4.807 0.017 5 0 "[ . 1 . 2]" 1
746 1 30 LYS HG2 1 31 GLN H . . 5.200 4.821 4.153 5.203 0.003 5 0 "[ . 1 . 2]" 1
747 1 30 LYS HG3 1 31 GLN H . . 5.200 4.381 4.213 5.037 . 0 0 "[ . 1 . 2]" 1
748 1 30 LYS H 1 31 GLN HB2 . . 5.040 4.842 4.787 4.875 . 0 0 "[ . 1 . 2]" 1
749 1 30 LYS H 1 31 GLN HG3 . . 4.270 4.220 4.107 4.278 0.008 6 0 "[ . 1 . 2]" 1
750 1 30 LYS H 1 31 GLN HA . . 5.280 5.106 5.055 5.137 . 0 0 "[ . 1 . 2]" 1
751 1 30 LYS HB2 1 31 GLN H . . 4.200 2.968 2.904 3.044 . 0 0 "[ . 1 . 2]" 1
752 1 31 GLN HB3 1 31 GLN HE22 . . 3.740 3.434 3.417 3.449 . 0 0 "[ . 1 . 2]" 1
753 1 31 GLN HB2 1 31 GLN HE21 . . 3.390 2.404 2.359 2.460 . 0 0 "[ . 1 . 2]" 1
754 1 31 GLN H 1 31 GLN HG3 . . 3.200 2.451 2.409 2.512 . 0 0 "[ . 1 . 2]" 1
755 1 31 GLN HA 1 31 GLN HE22 . . 5.500 5.488 5.455 5.502 0.002 3 0 "[ . 1 . 2]" 1
756 1 31 GLN HB3 1 31 GLN HE21 . . 3.400 2.418 2.383 2.467 . 0 0 "[ . 1 . 2]" 1
757 1 31 GLN H 1 31 GLN HB2 . . 3.050 2.550 2.514 2.588 . 0 0 "[ . 1 . 2]" 1
758 1 31 GLN HA 1 31 GLN HG3 . . 3.740 3.507 3.492 3.523 . 0 0 "[ . 1 . 2]" 1
759 1 31 GLN HE22 1 31 GLN HG3 . . 3.750 3.689 3.673 3.701 . 0 0 "[ . 1 . 2]" 1
760 1 31 GLN HA 1 31 GLN HG2 . . 3.490 2.405 2.377 2.428 . 0 0 "[ . 1 . 2]" 1
761 1 31 GLN HB2 1 31 GLN HE22 . . 4.150 3.983 3.949 4.029 . 0 0 "[ . 1 . 2]" 1
762 1 31 GLN H 1 31 GLN HB3 . . 3.690 3.589 3.588 3.590 . 0 0 "[ . 1 . 2]" 1
763 1 31 GLN H 1 31 GLN HG2 . . 3.170 2.756 2.682 2.829 . 0 0 "[ . 1 . 2]" 1
764 1 31 GLN HA 1 31 GLN HE21 . . 4.630 4.592 4.570 4.626 . 0 0 "[ . 1 . 2]" 1
765 1 31 GLN HG3 1 32 ASP H . . 5.500 5.550 5.534 5.561 0.061 9 0 "[ . 1 . 2]" 1
766 1 31 GLN HB3 1 32 ASP H . . 4.020 3.849 3.771 3.928 . 0 0 "[ . 1 . 2]" 1
767 1 31 GLN HA 1 32 ASP H . . 2.540 2.187 2.166 2.213 . 0 0 "[ . 1 . 2]" 1
768 1 31 GLN H 1 32 ASP H . . 4.500 4.285 4.224 4.335 . 0 0 "[ . 1 . 2]" 1
769 1 31 GLN HB3 1 32 ASP QB . . 5.500 5.423 5.359 5.603 0.103 7 0 "[ . 1 . 2]" 1
770 1 31 GLN H 1 32 ASP HA . . 5.500 5.392 5.340 5.431 . 0 0 "[ . 1 . 2]" 1
771 1 31 GLN HA 1 32 ASP QB . . 4.290 4.178 4.134 4.268 . 0 0 "[ . 1 . 2]" 1
772 1 31 GLN HG2 1 32 ASP H . . 4.800 4.591 4.538 4.621 . 0 0 "[ . 1 . 2]" 1
773 1 31 GLN HB2 1 32 ASP H . . 4.700 4.433 4.416 4.458 . 0 0 "[ . 1 . 2]" 1
774 1 31 GLN HB3 1 32 ASP HA . . 5.340 5.119 5.071 5.163 . 0 0 "[ . 1 . 2]" 1
775 1 31 GLN H 1 33 GLU H . . 5.500 5.510 5.486 5.524 0.024 7 0 "[ . 1 . 2]" 1
776 1 31 GLN HA 1 33 GLU H . . 3.960 3.293 3.270 3.333 . 0 0 "[ . 1 . 2]" 1
777 1 31 GLN HB2 1 33 GLU H . . 5.270 4.357 4.302 4.436 . 0 0 "[ . 1 . 2]" 1
778 1 31 GLN HB3 1 33 GLU HG2 . . 2.460 2.269 2.163 2.460 . 0 0 "[ . 1 . 2]" 1
779 1 31 GLN HE21 1 33 GLU H . . 5.500 5.424 5.345 5.497 . 0 0 "[ . 1 . 2]" 1
780 1 31 GLN HB3 1 33 GLU H . . 3.580 3.198 3.130 3.281 . 0 0 "[ . 1 . 2]" 1
781 1 31 GLN HB2 1 34 LEU MD2 . . 3.740 3.341 3.260 3.409 . 0 0 "[ . 1 . 2]" 1
782 1 31 GLN HB3 1 34 LEU MD1 . . 3.530 3.123 3.051 3.192 . 0 0 "[ . 1 . 2]" 1
783 1 31 GLN HB3 1 34 LEU MD2 . . 4.440 3.218 3.150 3.354 . 0 0 "[ . 1 . 2]" 1
784 1 31 GLN HE22 1 34 LEU MD2 . . 3.780 2.653 2.536 2.883 . 0 0 "[ . 1 . 2]" 1
785 1 31 GLN HE21 1 34 LEU MD2 . . 4.070 1.994 1.930 2.170 . 0 0 "[ . 1 . 2]" 1
786 1 31 GLN HG2 1 34 LEU MD1 . . 4.300 4.233 4.163 4.304 0.004 5 0 "[ . 1 . 2]" 1
787 1 31 GLN HB3 1 34 LEU HG . . 4.030 2.242 2.162 2.351 . 0 0 "[ . 1 . 2]" 1
788 1 31 GLN HB2 1 34 LEU HB3 . . 5.290 4.674 4.626 4.746 . 0 0 "[ . 1 . 2]" 1
789 1 31 GLN H 1 34 LEU MD1 . . 3.840 3.691 3.628 3.727 . 0 0 "[ . 1 . 2]" 1
790 1 31 GLN HB2 1 34 LEU HB2 . . 4.910 3.774 3.673 3.863 . 0 0 "[ . 1 . 2]" 1
791 1 31 GLN HE21 1 34 LEU HG . . 4.380 2.647 2.536 2.789 . 0 0 "[ . 1 . 2]" 1
792 1 31 GLN HB2 1 34 LEU MD1 . . 3.370 1.988 1.946 2.094 . 0 0 "[ . 1 . 2]" 1
793 1 31 GLN HE22 1 34 LEU MD1 . . 4.010 3.591 3.392 3.758 . 0 0 "[ . 1 . 2]" 1
794 1 31 GLN HG3 1 34 LEU MD2 . . 4.820 4.353 4.284 4.460 . 0 0 "[ . 1 . 2]" 1
795 1 31 GLN HG3 1 34 LEU HG . . 4.810 4.128 4.050 4.201 . 0 0 "[ . 1 . 2]" 1
796 1 31 GLN HG2 1 34 LEU HG . . 4.730 4.642 4.608 4.731 0.001 5 0 "[ . 1 . 2]" 1
797 1 31 GLN HB3 1 34 LEU HB2 . . 5.480 4.436 4.313 4.522 . 0 0 "[ . 1 . 2]" 1
798 1 31 GLN HB2 1 34 LEU H . . 5.000 3.695 3.630 3.787 . 0 0 "[ . 1 . 2]" 1
799 1 31 GLN HE22 1 34 LEU HG . . 4.740 4.075 3.974 4.182 . 0 0 "[ . 1 . 2]" 1
800 1 31 GLN HG3 1 34 LEU MD1 . . 4.160 3.055 2.945 3.161 . 0 0 "[ . 1 . 2]" 1
801 1 31 GLN HG2 1 34 LEU MD2 . . 5.210 4.993 4.942 5.129 . 0 0 "[ . 1 . 2]" 1
802 1 31 GLN HB2 1 34 LEU HA . . 5.500 5.361 5.291 5.450 . 0 0 "[ . 1 . 2]" 1
803 1 31 GLN HB3 1 34 LEU H . . 5.000 3.254 3.136 3.370 . 0 0 "[ . 1 . 2]" 1
804 1 31 GLN HE21 1 34 LEU MD1 . . 3.960 2.102 1.973 2.268 . 0 0 "[ . 1 . 2]" 1
805 1 31 GLN HB2 1 34 LEU HG . . 3.880 2.104 2.058 2.156 . 0 0 "[ . 1 . 2]" 1
806 1 31 GLN H 1 34 LEU MD2 . . 5.500 5.464 5.397 5.510 0.010 8 0 "[ . 1 . 2]" 1
807 1 31 GLN HA 1 34 LEU MD1 . . 4.760 4.588 4.571 4.619 . 0 0 "[ . 1 . 2]" 1
808 1 31 GLN H 1 34 LEU HG . . 4.830 4.549 4.507 4.583 . 0 0 "[ . 1 . 2]" 1
809 1 32 ASP H 1 32 ASP QB . . 2.810 2.246 2.183 2.290 . 0 0 "[ . 1 . 2]" 1
810 1 32 ASP HA 1 32 ASP QB . . 2.730 2.407 2.169 2.480 . 0 0 "[ . 1 . 2]" 1
811 1 32 ASP H 1 33 GLU HA . . 5.210 5.040 5.024 5.086 . 0 0 "[ . 1 . 2]" 1
812 1 32 ASP QB 1 33 GLU HA . . 4.930 4.123 3.992 4.691 . 0 0 "[ . 1 . 2]" 1
813 1 32 ASP QB 1 33 GLU H . . 3.650 3.121 3.039 3.654 0.004 7 0 "[ . 1 . 2]" 1
814 1 32 ASP H 1 33 GLU H . . 3.200 2.495 2.472 2.539 . 0 0 "[ . 1 . 2]" 1
815 1 32 ASP H 1 34 LEU H . . 4.800 4.235 4.193 4.262 . 0 0 "[ . 1 . 2]" 1
816 1 32 ASP H 1 34 LEU HG . . 5.320 4.994 4.941 5.060 . 0 0 "[ . 1 . 2]" 1
817 1 32 ASP QB 1 34 LEU H . . 5.200 4.674 4.534 4.821 . 0 0 "[ . 1 . 2]" 1
818 1 32 ASP H 1 34 LEU MD1 . . 5.500 5.517 5.495 5.541 0.041 20 0 "[ . 1 . 2]" 1
819 1 32 ASP HA 1 34 LEU H . . 4.650 3.612 3.485 3.693 . 0 0 "[ . 1 . 2]" 1
820 1 32 ASP HA 1 35 ASN H . . 4.450 3.390 3.331 3.434 . 0 0 "[ . 1 . 2]" 1
821 1 33 GLU H 1 33 GLU HB2 . . 3.730 3.596 3.590 3.601 . 0 0 "[ . 1 . 2]" 1
822 1 33 GLU H 1 33 GLU HG2 . . 3.630 2.125 1.972 2.222 . 0 0 "[ . 1 . 2]" 1
823 1 33 GLU H 1 33 GLU HB3 . . 3.220 2.573 2.499 2.693 . 0 0 "[ . 1 . 2]" 1
824 1 33 GLU H 1 33 GLU HG3 . . 3.750 3.192 2.916 3.377 . 0 0 "[ . 1 . 2]" 1
825 1 33 GLU HA 1 33 GLU HB2 . . 2.740 2.444 2.416 2.500 . 0 0 "[ . 1 . 2]" 1
826 1 33 GLU HA 1 33 GLU HB3 . . 2.750 2.450 2.397 2.479 . 0 0 "[ . 1 . 2]" 1
827 1 33 GLU HA 1 33 GLU HG3 . . 3.790 3.719 3.654 3.784 . 0 0 "[ . 1 . 2]" 1
828 1 33 GLU HB3 1 33 GLU HG2 . . 2.830 2.409 2.319 2.479 . 0 0 "[ . 1 . 2]" 1
829 1 33 GLU HA 1 33 GLU HG2 . . 3.900 3.778 3.715 3.861 . 0 0 "[ . 1 . 2]" 1
830 1 33 GLU H 1 34 LEU MD2 . . 4.890 4.582 4.452 4.701 . 0 0 "[ . 1 . 2]" 1
831 1 33 GLU H 1 34 LEU HA . . 5.440 5.132 5.099 5.179 . 0 0 "[ . 1 . 2]" 1
832 1 33 GLU HB3 1 34 LEU H . . 4.410 4.145 4.071 4.265 . 0 0 "[ . 1 . 2]" 1
833 1 33 GLU HG3 1 34 LEU HB3 . . 5.060 4.928 4.811 5.042 . 0 0 "[ . 1 . 2]" 1
834 1 33 GLU HB3 1 34 LEU MD2 . . 5.110 4.965 4.813 5.109 . 0 0 "[ . 1 . 2]" 1
835 1 33 GLU HA 1 34 LEU MD2 . . 5.500 5.087 4.957 5.188 . 0 0 "[ . 1 . 2]" 1
836 1 33 GLU H 1 34 LEU MD1 . . 5.180 5.117 5.079 5.168 . 0 0 "[ . 1 . 2]" 1
837 1 33 GLU HG2 1 34 LEU H . . 4.800 3.039 2.802 3.390 . 0 0 "[ . 1 . 2]" 1
838 1 33 GLU H 1 34 LEU HG . . 4.420 3.866 3.799 3.956 . 0 0 "[ . 1 . 2]" 1
839 1 33 GLU H 1 34 LEU HB2 . . 5.280 4.922 4.836 5.000 . 0 0 "[ . 1 . 2]" 1
840 1 33 GLU HG3 1 34 LEU MD2 . . 3.320 2.321 2.145 2.518 . 0 0 "[ . 1 . 2]" 1
841 1 33 GLU HG2 1 34 LEU MD2 . . 4.070 3.526 3.246 3.852 . 0 0 "[ . 1 . 2]" 1
842 1 33 GLU HB2 1 34 LEU MD2 . . 5.010 4.264 4.075 4.453 . 0 0 "[ . 1 . 2]" 1
843 1 33 GLU HG3 1 34 LEU H . . 4.500 2.760 2.490 3.041 . 0 0 "[ . 1 . 2]" 1
844 1 33 GLU H 1 34 LEU H . . 3.340 2.556 2.527 2.603 . 0 0 "[ . 1 . 2]" 1
845 1 33 GLU HG3 1 34 LEU HA . . 4.270 3.423 3.302 3.602 . 0 0 "[ . 1 . 2]" 1
846 1 33 GLU HB2 1 34 LEU H . . 4.410 4.067 3.989 4.161 . 0 0 "[ . 1 . 2]" 1
847 1 33 GLU HA 1 35 ASN H . . 4.460 4.507 4.484 4.542 0.082 13 0 "[ . 1 . 2]" 1
848 1 33 GLU H 1 35 ASN H . . 4.600 4.480 4.429 4.521 . 0 0 "[ . 1 . 2]" 1
849 1 34 LEU H 1 34 LEU HG . . 2.920 2.191 2.111 2.292 . 0 0 "[ . 1 . 2]" 1
850 1 34 LEU H 1 34 LEU HB2 . . 3.120 2.560 2.498 2.607 . 0 0 "[ . 1 . 2]" 1
851 1 34 LEU HA 1 34 LEU HG . . 3.640 3.265 3.213 3.307 . 0 0 "[ . 1 . 2]" 1
852 1 34 LEU H 1 34 LEU MD1 . . 3.710 3.667 3.641 3.709 . 0 0 "[ . 1 . 2]" 1
853 1 34 LEU HB3 1 34 LEU MD1 . . 3.410 2.395 2.291 2.420 . 0 0 "[ . 1 . 2]" 1
854 1 34 LEU H 1 34 LEU HB3 . . 3.750 3.598 3.594 3.609 . 0 0 "[ . 1 . 2]" 1
855 1 34 LEU HB2 1 34 LEU MD2 . . 3.230 3.194 3.193 3.195 . 0 0 "[ . 1 . 2]" 1
856 1 34 LEU HA 1 34 LEU HB3 . . 2.980 2.412 2.391 2.441 . 0 0 "[ . 1 . 2]" 1
857 1 34 LEU HB2 1 34 LEU MD1 . . 3.190 2.294 2.257 2.403 . 0 0 "[ . 1 . 2]" 1
858 1 34 LEU HA 1 34 LEU MD2 . . 2.830 2.159 2.035 2.225 . 0 0 "[ . 1 . 2]" 1
859 1 34 LEU HA 1 34 LEU MD1 . . 4.010 3.872 3.859 3.887 . 0 0 "[ . 1 . 2]" 1
860 1 34 LEU H 1 34 LEU MD2 . . 3.210 3.082 2.992 3.205 . 0 0 "[ . 1 . 2]" 1
861 1 34 LEU MD1 1 35 ASN H . . 4.820 4.360 4.334 4.399 . 0 0 "[ . 1 . 2]" 1
862 1 34 LEU HG 1 35 ASN H . . 4.800 4.094 4.023 4.194 . 0 0 "[ . 1 . 2]" 1
863 1 34 LEU HB2 1 35 ASN H . . 4.800 2.448 2.431 2.464 . 0 0 "[ . 1 . 2]" 1
864 1 34 LEU HB2 1 35 ASN HA . . 4.810 4.387 4.339 4.421 . 0 0 "[ . 1 . 2]" 1
865 1 34 LEU H 1 35 ASN HA . . 4.800 4.807 4.726 4.833 0.033 18 0 "[ . 1 . 2]" 1
866 1 34 LEU HB3 1 35 ASN HA . . 5.500 5.325 5.256 5.386 . 0 0 "[ . 1 . 2]" 1
867 1 34 LEU H 1 35 ASN H . . 3.210 2.589 2.510 2.618 . 0 0 "[ . 1 . 2]" 1
868 1 34 LEU MD2 1 35 ASN H . . 4.720 4.555 4.533 4.583 . 0 0 "[ . 1 . 2]" 1
869 1 34 LEU HB3 1 35 ASN H . . 4.800 3.634 3.578 3.684 . 0 0 "[ . 1 . 2]" 1
870 1 34 LEU HA 1 36 PHE H . . 4.500 4.492 4.401 4.511 0.011 3 0 "[ . 1 . 2]" 1
871 1 34 LEU MD1 1 36 PHE QE . . 4.290 2.168 2.008 2.270 . 0 0 "[ . 1 . 2]" 1
872 1 34 LEU H 1 36 PHE H . . 4.700 4.606 4.550 4.646 . 0 0 "[ . 1 . 2]" 1
873 1 34 LEU HB3 1 36 PHE QE . . 4.490 2.932 2.884 2.993 . 0 0 "[ . 1 . 2]" 1
874 1 34 LEU HB3 1 36 PHE H . . 3.960 3.234 3.073 3.311 . 0 0 "[ . 1 . 2]" 1
875 1 34 LEU MD1 1 36 PHE H . . 4.460 4.114 4.061 4.221 . 0 0 "[ . 1 . 2]" 1
876 1 34 LEU HG 1 36 PHE H . . 5.130 5.116 5.044 5.142 0.012 16 0 "[ . 1 . 2]" 1
877 1 34 LEU HB3 1 36 PHE QD . . 4.090 2.942 2.896 2.973 . 0 0 "[ . 1 . 2]" 1
878 1 34 LEU HA 1 36 PHE QE . . 4.270 4.186 3.944 4.278 0.008 6 0 "[ . 1 . 2]" 1
879 1 34 LEU MD1 1 36 PHE QD . . 4.120 2.524 2.397 2.579 . 0 0 "[ . 1 . 2]" 1
880 1 34 LEU HG 1 36 PHE QE . . 4.720 4.713 4.639 4.743 0.023 5 0 "[ . 1 . 2]" 1
881 1 34 LEU HB2 1 36 PHE QE . . 4.820 4.236 4.169 4.321 . 0 0 "[ . 1 . 2]" 1
882 1 34 LEU MD2 1 36 PHE QE . . 4.650 2.788 2.627 2.895 . 0 0 "[ . 1 . 2]" 1
883 1 34 LEU HB2 1 36 PHE H . . 3.850 2.689 2.613 2.719 . 0 0 "[ . 1 . 2]" 1
884 1 34 LEU MD2 1 36 PHE QD . . 4.320 4.022 3.908 4.094 . 0 0 "[ . 1 . 2]" 1
885 1 34 LEU HB2 1 36 PHE QD . . 4.700 3.560 3.459 3.732 . 0 0 "[ . 1 . 2]" 1
886 1 34 LEU HA 1 57 MET ME . . 3.280 2.960 2.730 3.166 . 0 0 "[ . 1 . 2]" 1
887 1 34 LEU HB2 1 57 MET ME . . 5.090 4.839 4.698 4.990 . 0 0 "[ . 1 . 2]" 1
888 1 34 LEU MD1 1 57 MET ME . . 3.980 4.002 3.982 4.030 0.050 11 0 "[ . 1 . 2]" 1
889 1 34 LEU HB3 1 57 MET ME . . 4.340 3.470 3.347 3.616 . 0 0 "[ . 1 . 2]" 1
890 1 34 LEU H 1 57 MET ME . . 5.440 5.275 5.086 5.450 0.010 20 0 "[ . 1 . 2]" 1
891 1 34 LEU MD2 1 57 MET ME . . 2.500 2.368 2.213 2.499 . 0 0 "[ . 1 . 2]" 1
892 1 34 LEU MD2 1 60 TRP HH2 . . 3.490 2.822 2.640 3.006 . 0 0 "[ . 1 . 2]" 1
893 1 34 LEU MD1 1 60 TRP HZ3 . . 3.500 2.904 2.558 3.168 . 0 0 "[ . 1 . 2]" 1
894 1 34 LEU MD1 1 60 TRP HZ2 . . 4.500 3.994 3.756 4.222 . 0 0 "[ . 1 . 2]" 1
895 1 34 LEU MD2 1 60 TRP HZ2 . . 4.500 3.070 2.798 3.316 . 0 0 "[ . 1 . 2]" 1
896 1 34 LEU MD2 1 60 TRP HZ3 . . 4.000 3.350 2.874 3.659 . 0 0 "[ . 1 . 2]" 1
897 1 34 LEU MD1 1 61 PHE QE . . 4.880 3.919 3.710 4.057 . 0 0 "[ . 1 . 2]" 1
898 1 35 ASN HA 1 35 ASN HD22 . . 5.500 4.460 4.047 4.848 . 0 0 "[ . 1 . 2]" 1
899 1 35 ASN HB2 1 35 ASN HD22 . . 4.000 3.790 3.434 4.071 0.071 15 0 "[ . 1 . 2]" 1
900 1 35 ASN H 1 35 ASN HB2 . . 3.770 3.342 3.094 3.802 0.032 4 0 "[ . 1 . 2]" 1
901 1 35 ASN H 1 35 ASN HA . . 2.820 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
902 1 35 ASN H 1 35 ASN HB3 . . 3.930 3.841 3.732 3.992 0.062 13 0 "[ . 1 . 2]" 1
903 1 35 ASN HB3 1 35 ASN HD22 . . 4.000 3.562 3.435 3.963 . 0 0 "[ . 1 . 2]" 1
904 1 35 ASN HA 1 36 PHE H . . 3.150 2.901 2.859 2.952 . 0 0 "[ . 1 . 2]" 1
905 1 35 ASN HB2 1 36 PHE H . . 4.800 4.375 4.077 4.540 . 0 0 "[ . 1 . 2]" 1
906 1 35 ASN H 1 36 PHE H . . 3.430 2.606 2.579 2.686 . 0 0 "[ . 1 . 2]" 1
907 1 35 ASN HB3 1 36 PHE H . . 4.800 4.268 4.055 4.573 . 0 0 "[ . 1 . 2]" 1
908 1 36 PHE H 1 36 PHE QD . . 4.000 3.317 3.181 3.384 . 0 0 "[ . 1 . 2]" 1
909 1 36 PHE HA 1 36 PHE QE . . 4.320 4.207 4.185 4.244 . 0 0 "[ . 1 . 2]" 1
910 1 36 PHE H 1 36 PHE HB2 . . 3.370 2.385 2.352 2.426 . 0 0 "[ . 1 . 2]" 1
911 1 36 PHE H 1 36 PHE HB3 . . 3.710 3.592 3.581 3.601 . 0 0 "[ . 1 . 2]" 1
912 1 36 PHE HA 1 36 PHE QD . . 3.260 1.845 1.840 1.870 . 0 0 "[ . 1 . 2]" 1
913 1 36 PHE HB3 1 37 ASP H . . 4.010 1.949 1.939 1.972 . 0 0 "[ . 1 . 2]" 1
914 1 36 PHE QD 1 37 ASP H . . 4.500 3.786 3.679 3.905 . 0 0 "[ . 1 . 2]" 1
915 1 36 PHE HB2 1 37 ASP H . . 4.270 3.247 3.210 3.286 . 0 0 "[ . 1 . 2]" 1
916 1 36 PHE HA 1 37 ASP H . . 2.800 2.644 2.637 2.650 . 0 0 "[ . 1 . 2]" 1
917 1 36 PHE H 1 37 ASP H . . 5.000 4.502 4.492 4.513 . 0 0 "[ . 1 . 2]" 1
918 1 36 PHE H 1 38 TRP HD1 . . 5.200 4.707 4.576 4.890 . 0 0 "[ . 1 . 2]" 1
919 1 36 PHE HB3 1 38 TRP HD1 . . 4.650 4.211 4.063 4.393 . 0 0 "[ . 1 . 2]" 1
920 1 36 PHE HB2 1 38 TRP HD1 . . 4.650 3.442 3.359 3.591 . 0 0 "[ . 1 . 2]" 1
921 1 36 PHE HB3 1 51 ILE MD . . 5.400 4.816 4.636 5.305 . 0 0 "[ . 1 . 2]" 1
922 1 36 PHE QD 1 51 ILE MG . . 3.500 2.950 2.746 3.066 . 0 0 "[ . 1 . 2]" 1
923 1 36 PHE QD 1 51 ILE HB . . 5.270 5.240 4.970 5.295 0.025 13 0 "[ . 1 . 2]" 1
924 1 36 PHE QE 1 51 ILE MG . . 4.530 4.253 4.039 4.440 . 0 0 "[ . 1 . 2]" 1
925 1 36 PHE HA 1 51 ILE MG . . 4.270 4.236 4.095 4.288 0.018 18 0 "[ . 1 . 2]" 1
926 1 36 PHE HB3 1 51 ILE MG . . 3.500 2.247 2.145 2.302 . 0 0 "[ . 1 . 2]" 1
927 1 36 PHE QD 1 51 ILE MD . . 4.500 4.166 4.051 4.518 0.018 8 0 "[ . 1 . 2]" 1
928 1 36 PHE HB2 1 51 ILE MG . . 3.760 3.068 2.937 3.124 . 0 0 "[ . 1 . 2]" 1
929 1 36 PHE H 1 51 ILE MG . . 5.200 4.968 4.841 5.028 . 0 0 "[ . 1 . 2]" 1
930 1 36 PHE QD 1 53 ILE HB . . 4.800 3.256 3.048 3.481 . 0 0 "[ . 1 . 2]" 1
931 1 36 PHE HB3 1 53 ILE MG . . 4.650 2.343 2.230 2.486 . 0 0 "[ . 1 . 2]" 1
932 1 36 PHE QE 1 53 ILE MG . . 4.250 2.918 2.853 3.009 . 0 0 "[ . 1 . 2]" 1
933 1 36 PHE QE 1 53 ILE HB . . 4.800 2.669 2.519 2.905 . 0 0 "[ . 1 . 2]" 1
934 1 36 PHE HB2 1 53 ILE MG . . 5.240 3.564 3.506 3.663 . 0 0 "[ . 1 . 2]" 1
935 1 36 PHE QE 1 53 ILE MD . . 4.430 3.684 3.598 3.837 . 0 0 "[ . 1 . 2]" 1
936 1 36 PHE QD 1 53 ILE MG . . 4.500 2.635 2.606 2.664 . 0 0 "[ . 1 . 2]" 1
937 1 36 PHE QE 1 54 PRO HD3 . . 4.650 3.366 3.280 3.647 . 0 0 "[ . 1 . 2]" 1
938 1 36 PHE QE 1 54 PRO HD2 . . 4.210 2.014 1.985 2.214 . 0 0 "[ . 1 . 2]" 1
939 1 36 PHE QD 1 54 PRO HD3 . . 4.040 2.770 2.645 2.959 . 0 0 "[ . 1 . 2]" 1
940 1 36 PHE QD 1 54 PRO HD2 . . 3.960 2.604 2.534 2.729 . 0 0 "[ . 1 . 2]" 1
941 1 36 PHE QD 1 57 MET ME . . 4.550 4.337 4.122 4.485 . 0 0 "[ . 1 . 2]" 1
942 1 36 PHE QD 1 57 MET HG2 . . 5.500 5.523 5.509 5.543 0.043 3 0 "[ . 1 . 2]" 1
943 1 36 PHE QE 1 57 MET HG3 . . 4.340 2.007 1.984 2.105 . 0 0 "[ . 1 . 2]" 1
944 1 36 PHE QD 1 57 MET HG3 . . 4.670 4.128 4.058 4.224 . 0 0 "[ . 1 . 2]" 1
945 1 36 PHE QE 1 57 MET HG2 . . 4.160 3.473 3.390 3.609 . 0 0 "[ . 1 . 2]" 1
946 1 36 PHE QE 1 57 MET HB3 . . 4.460 2.535 2.275 2.779 . 0 0 "[ . 1 . 2]" 1
947 1 36 PHE QE 1 57 MET H . . 5.450 4.947 4.807 5.063 . 0 0 "[ . 1 . 2]" 1
948 1 36 PHE QE 1 57 MET ME . . 3.020 2.788 2.505 2.935 . 0 0 "[ . 1 . 2]" 1
949 1 36 PHE QE 1 60 TRP HE3 . . 4.720 3.374 3.145 3.516 . 0 0 "[ . 1 . 2]" 1
950 1 36 PHE QE 1 60 TRP HZ3 . . 4.070 1.989 1.981 2.003 . 0 0 "[ . 1 . 2]" 1
951 1 36 PHE QE 1 60 TRP HH2 . . 4.520 3.584 3.368 3.991 . 0 0 "[ . 1 . 2]" 1
952 1 36 PHE QD 1 61 PHE QE . . 3.220 2.632 2.451 2.794 . 0 0 "[ . 1 . 2]" 1
953 1 36 PHE QD 1 61 PHE QD . . 4.060 4.043 3.850 4.092 0.032 15 0 "[ . 1 . 2]" 1
954 1 36 PHE QE 1 61 PHE QD . . 4.290 3.072 2.842 3.215 . 0 0 "[ . 1 . 2]" 1
955 1 37 ASP H 1 37 ASP HB3 . . 3.790 3.702 3.389 3.798 0.008 5 0 "[ . 1 . 2]" 1
956 1 37 ASP H 1 37 ASP HB2 . . 3.570 2.599 2.503 2.676 . 0 0 "[ . 1 . 2]" 1
957 1 37 ASP H 1 38 TRP H . . 5.000 3.880 3.824 3.975 . 0 0 "[ . 1 . 2]" 1
958 1 37 ASP HB2 1 38 TRP H . . 4.500 4.536 4.491 4.655 0.155 3 0 "[ . 1 . 2]" 1
959 1 37 ASP HB3 1 38 TRP H . . 4.080 3.947 3.925 4.070 . 0 0 "[ . 1 . 2]" 1
960 1 37 ASP HA 1 38 TRP H . . 2.650 2.210 2.172 2.216 . 0 0 "[ . 1 . 2]" 1
961 1 37 ASP HA 1 38 TRP HD1 . . 3.800 3.798 3.632 3.832 0.032 11 0 "[ . 1 . 2]" 1
962 1 37 ASP H 1 51 ILE MG . . 3.800 2.736 2.596 2.889 . 0 0 "[ . 1 . 2]" 1
963 1 37 ASP HB2 1 51 ILE MG . . 4.540 4.359 4.116 4.562 0.022 10 0 "[ . 1 . 2]" 1
964 1 37 ASP HB3 1 52 LEU H . . 4.500 3.777 3.066 4.044 . 0 0 "[ . 1 . 2]" 1
965 1 37 ASP HB3 1 52 LEU QD . . 4.500 3.553 3.207 3.932 . 0 0 "[ . 1 . 2]" 1
966 1 37 ASP H 1 52 LEU HB2 . . 5.500 3.825 3.446 4.040 . 0 0 "[ . 1 . 2]" 1
967 1 37 ASP H 1 52 LEU H . . 4.650 3.306 3.012 3.436 . 0 0 "[ . 1 . 2]" 1
968 1 37 ASP H 1 52 LEU HB3 . . 5.500 4.227 3.901 4.533 . 0 0 "[ . 1 . 2]" 1
969 1 37 ASP HB2 1 52 LEU HB2 . . 3.850 2.091 1.993 2.638 . 0 0 "[ . 1 . 2]" 1
970 1 37 ASP HB2 1 52 LEU QD . . 4.510 3.394 3.172 3.965 . 0 0 "[ . 1 . 2]" 1
971 1 37 ASP HB2 1 52 LEU H . . 4.500 3.105 2.843 3.652 . 0 0 "[ . 1 . 2]" 1
972 1 37 ASP HB3 1 52 LEU HB3 . . 4.500 3.889 3.206 4.319 . 0 0 "[ . 1 . 2]" 1
973 1 37 ASP HB3 1 52 LEU HB2 . . 3.850 2.831 1.999 3.332 . 0 0 "[ . 1 . 2]" 1
974 1 37 ASP H 1 52 LEU QD . . 5.180 4.760 4.597 4.916 . 0 0 "[ . 1 . 2]" 1
975 1 37 ASP HB2 1 52 LEU HB3 . . 4.500 2.635 2.381 2.997 . 0 0 "[ . 1 . 2]" 1
976 1 37 ASP H 1 53 ILE MG . . 5.200 3.219 3.042 3.392 . 0 0 "[ . 1 . 2]" 1
977 1 38 TRP H 1 38 TRP HE3 . . 5.500 5.538 5.484 5.599 0.099 20 0 "[ . 1 . 2]" 1
978 1 38 TRP H 1 38 TRP HB2 . . 3.850 2.375 2.330 2.424 . 0 0 "[ . 1 . 2]" 1
979 1 38 TRP HA 1 38 TRP HE3 . . 5.200 3.627 3.514 3.753 . 0 0 "[ . 1 . 2]" 1
980 1 38 TRP H 1 38 TRP HB3 . . 4.000 3.592 3.572 3.610 . 0 0 "[ . 1 . 2]" 1
981 1 38 TRP H 1 38 TRP HD1 . . 3.350 2.349 2.219 2.526 . 0 0 "[ . 1 . 2]" 1
982 1 38 TRP HB3 1 39 GLN H . . 5.500 3.033 2.689 3.230 . 0 0 "[ . 1 . 2]" 1
983 1 38 TRP HB2 1 39 GLN H . . 5.500 4.117 3.852 4.234 . 0 0 "[ . 1 . 2]" 1
984 1 38 TRP HA 1 39 GLN H . . 2.800 2.205 2.163 2.303 . 0 0 "[ . 1 . 2]" 1
985 1 38 TRP H 1 39 GLN H . . 5.500 4.580 4.543 4.619 . 0 0 "[ . 1 . 2]" 1
986 1 38 TRP HA 1 40 ASN H . . 4.200 4.029 3.903 4.233 0.033 12 0 "[ . 1 . 2]" 1
987 1 38 TRP HE3 1 40 ASN H . . 4.750 3.721 3.519 4.065 . 0 0 "[ . 1 . 2]" 1
988 1 38 TRP HB3 1 40 ASN H . . 5.500 3.335 3.104 3.629 . 0 0 "[ . 1 . 2]" 1
989 1 38 TRP HB2 1 40 ASN H . . 5.500 4.798 4.580 5.052 . 0 0 "[ . 1 . 2]" 1
990 1 38 TRP HZ3 1 41 PRO HA . . 5.500 5.422 5.306 5.503 0.003 17 0 "[ . 1 . 2]" 1
991 1 38 TRP HE3 1 41 PRO HA . . 4.300 4.342 4.323 4.355 0.055 15 0 "[ . 1 . 2]" 1
992 1 38 TRP HE3 1 42 PRO HD3 . . 4.650 2.518 2.391 2.628 . 0 0 "[ . 1 . 2]" 1
993 1 38 TRP HZ3 1 42 PRO HG2 . . 5.200 4.046 3.718 4.212 . 0 0 "[ . 1 . 2]" 1
994 1 38 TRP HZ3 1 42 PRO HD3 . . 4.800 3.057 2.954 3.141 . 0 0 "[ . 1 . 2]" 1
995 1 38 TRP HE3 1 42 PRO HD2 . . 4.650 4.088 3.871 4.195 . 0 0 "[ . 1 . 2]" 1
996 1 38 TRP HZ3 1 42 PRO HD2 . . 4.800 4.418 4.050 4.603 . 0 0 "[ . 1 . 2]" 1
997 1 38 TRP HZ3 1 42 PRO HG3 . . 5.200 2.392 1.972 2.721 . 0 0 "[ . 1 . 2]" 1
998 1 38 TRP HZ3 1 49 VAL QG . . 3.800 1.953 1.874 2.189 . 0 0 "[ . 1 . 2]" 1
999 1 38 TRP HE3 1 49 VAL QG . . 3.800 2.364 1.950 2.518 . 0 0 "[ . 1 . 2]" 1
1000 1 38 TRP HA 1 51 ILE MG . . 3.470 3.074 2.744 3.425 . 0 0 "[ . 1 . 2]" 1
1001 1 38 TRP HB3 1 51 ILE MG . . 5.500 4.614 4.451 4.934 . 0 0 "[ . 1 . 2]" 1
1002 1 38 TRP HE3 1 51 ILE HG13 . . 5.000 4.011 3.384 4.351 . 0 0 "[ . 1 . 2]" 1
1003 1 38 TRP HE3 1 51 ILE MD . . 4.650 3.503 3.346 3.811 . 0 0 "[ . 1 . 2]" 1
1004 1 38 TRP HA 1 51 ILE H . . 5.200 5.200 5.092 5.274 0.074 8 0 "[ . 1 . 2]" 1
1005 1 38 TRP H 1 51 ILE MG . . 4.330 4.063 3.725 4.345 0.015 11 0 "[ . 1 . 2]" 1
1006 1 38 TRP HZ3 1 51 ILE HG12 . . 5.000 3.756 3.412 4.186 . 0 0 "[ . 1 . 2]" 1
1007 1 38 TRP HH2 1 51 ILE MD . . 4.330 2.669 2.584 2.844 . 0 0 "[ . 1 . 2]" 1
1008 1 38 TRP HB2 1 51 ILE MG . . 5.500 4.822 4.568 5.170 . 0 0 "[ . 1 . 2]" 1
1009 1 38 TRP HA 1 51 ILE HA . . 2.800 2.554 2.486 2.597 . 0 0 "[ . 1 . 2]" 1
1010 1 38 TRP HA 1 51 ILE HG13 . . 4.550 4.129 3.305 4.411 . 0 0 "[ . 1 . 2]" 1
1011 1 38 TRP HA 1 51 ILE HG12 . . 4.800 2.955 2.506 3.700 . 0 0 "[ . 1 . 2]" 1
1012 1 38 TRP HZ3 1 51 ILE MD . . 4.200 2.648 2.468 2.920 . 0 0 "[ . 1 . 2]" 1
1013 1 38 TRP HZ2 1 51 ILE MD . . 4.800 3.013 2.771 3.562 . 0 0 "[ . 1 . 2]" 1
1014 1 38 TRP HH2 1 51 ILE MG . . 5.500 4.739 4.480 5.072 . 0 0 "[ . 1 . 2]" 1
1015 1 38 TRP HD1 1 51 ILE MG . . 4.800 3.744 3.421 4.145 . 0 0 "[ . 1 . 2]" 1
1016 1 38 TRP HE3 1 51 ILE MG . . 5.200 4.428 4.186 4.666 . 0 0 "[ . 1 . 2]" 1
1017 1 38 TRP HZ3 1 51 ILE HG13 . . 5.000 4.192 3.712 4.569 . 0 0 "[ . 1 . 2]" 1
1018 1 38 TRP HZ2 1 51 ILE MG . . 5.500 3.913 3.645 4.104 . 0 0 "[ . 1 . 2]" 1
1019 1 38 TRP HE3 1 51 ILE HG12 . . 5.000 3.043 2.879 3.206 . 0 0 "[ . 1 . 2]" 1
1020 1 38 TRP HA 1 52 LEU H . . 4.800 3.729 3.363 3.902 . 0 0 "[ . 1 . 2]" 1
1021 1 39 GLN H 1 39 GLN HB3 . . 3.640 3.646 3.590 3.768 0.128 12 0 "[ . 1 . 2]" 1
1022 1 39 GLN H 1 39 GLN HG2 . . 3.660 2.639 2.432 2.756 . 0 0 "[ . 1 . 2]" 1
1023 1 39 GLN H 1 39 GLN HG3 . . 4.540 3.990 3.874 4.080 . 0 0 "[ . 1 . 2]" 1
1024 1 39 GLN HA 1 39 GLN HE21 . . 5.200 3.435 2.371 4.240 . 0 0 "[ . 1 . 2]" 1
1025 1 39 GLN HA 1 39 GLN HE22 . . 5.200 3.590 3.014 4.155 . 0 0 "[ . 1 . 2]" 1
1026 1 39 GLN HE22 1 39 GLN HG2 . . 4.030 3.631 3.436 4.073 0.043 7 0 "[ . 1 . 2]" 1
1027 1 39 GLN HB2 1 39 GLN HE21 . . 4.620 4.224 3.876 4.597 . 0 0 "[ . 1 . 2]" 1
1028 1 39 GLN HB3 1 40 ASN H . . 4.200 3.702 3.480 3.885 . 0 0 "[ . 1 . 2]" 1
1029 1 39 GLN H 1 40 ASN H . . 4.000 2.247 2.008 2.375 . 0 0 "[ . 1 . 2]" 1
1030 1 39 GLN HB2 1 40 ASN H . . 4.200 2.695 2.493 2.838 . 0 0 "[ . 1 . 2]" 1
1031 1 39 GLN H 1 50 VAL QG . . 4.480 3.887 2.977 4.246 . 0 0 "[ . 1 . 2]" 1
1032 1 39 GLN H 1 50 VAL H . . 5.000 4.020 3.794 4.374 . 0 0 "[ . 1 . 2]" 1
1033 1 39 GLN H 1 51 ILE HA . . 4.200 3.399 3.176 3.760 . 0 0 "[ . 1 . 2]" 1
1034 1 39 GLN H 1 51 ILE MG . . 5.200 4.630 4.378 4.954 . 0 0 "[ . 1 . 2]" 1
1035 1 39 GLN HG2 1 52 LEU QD . . 3.800 2.946 2.584 3.344 . 0 0 "[ . 1 . 2]" 1
1036 1 39 GLN HE22 1 52 LEU QD . . 4.850 3.176 2.579 3.609 . 0 0 "[ . 1 . 2]" 1
1037 1 39 GLN HE21 1 52 LEU QD . . 4.200 2.817 1.858 3.923 . 0 0 "[ . 1 . 2]" 1
1038 1 39 GLN HG3 1 52 LEU QD . . 3.910 3.245 2.946 3.541 . 0 0 "[ . 1 . 2]" 1
1039 1 40 ASN HA 1 40 ASN HD22 . . 5.370 5.209 4.288 5.362 . 0 0 "[ . 1 . 2]" 1
1040 1 40 ASN HB3 1 40 ASN HD22 . . 3.960 3.562 3.439 3.953 . 0 0 "[ . 1 . 2]" 1
1041 1 40 ASN HA 1 40 ASN HD21 . . 4.590 4.363 3.399 4.558 . 0 0 "[ . 1 . 2]" 1
1042 1 40 ASN H 1 40 ASN HB3 . . 3.850 3.507 3.122 3.815 . 0 0 "[ . 1 . 2]" 1
1043 1 40 ASN H 1 40 ASN HB2 . . 3.850 3.724 2.864 3.877 0.027 11 0 "[ . 1 . 2]" 1
1044 1 40 ASN HB3 1 40 ASN HD21 . . 3.550 2.414 2.128 3.274 . 0 0 "[ . 1 . 2]" 1
1045 1 40 ASN HA 1 41 PRO HD2 . . 3.430 2.333 2.192 2.414 . 0 0 "[ . 1 . 2]" 1
1046 1 40 ASN HB2 1 41 PRO HD3 . . 4.650 3.743 3.464 4.674 0.024 5 0 "[ . 1 . 2]" 1
1047 1 40 ASN HA 1 41 PRO HG2 . . 5.000 4.458 4.345 4.524 . 0 0 "[ . 1 . 2]" 1
1048 1 40 ASN HB2 1 41 PRO HD2 . . 4.650 2.357 2.022 3.624 . 0 0 "[ . 1 . 2]" 1
1049 1 40 ASN H 1 41 PRO HD3 . . 5.070 4.849 4.753 4.923 . 0 0 "[ . 1 . 2]" 1
1050 1 40 ASN HB3 1 41 PRO HD3 . . 4.650 4.109 3.720 4.524 . 0 0 "[ . 1 . 2]" 1
1051 1 40 ASN H 1 41 PRO HD2 . . 4.820 4.814 4.803 4.834 0.014 5 0 "[ . 1 . 2]" 1
1052 1 40 ASN HA 1 41 PRO HD3 . . 3.070 2.280 2.253 2.304 . 0 0 "[ . 1 . 2]" 1
1053 1 40 ASN HB3 1 41 PRO HD2 . . 4.650 3.066 2.341 3.590 . 0 0 "[ . 1 . 2]" 1
1054 1 40 ASN H 1 41 PRO HA . . 5.300 5.016 4.907 5.146 . 0 0 "[ . 1 . 2]" 1
1055 1 40 ASN HA 1 41 PRO HG3 . . 4.800 4.435 4.364 4.480 . 0 0 "[ . 1 . 2]" 1
1056 1 40 ASN HD22 1 49 VAL HA . . 4.200 2.621 1.924 4.207 0.007 5 0 "[ . 1 . 2]" 1
1057 1 40 ASN HD21 1 49 VAL HA . . 4.200 4.008 3.477 4.226 0.026 5 0 "[ . 1 . 2]" 1
1058 1 40 ASN H 1 49 VAL QG . . 4.500 3.158 2.430 3.444 . 0 0 "[ . 1 . 2]" 1
1059 1 40 ASN HD21 1 49 VAL QG . . 5.500 4.276 3.424 4.584 . 0 0 "[ . 1 . 2]" 1
1060 1 40 ASN HA 1 49 VAL QG . . 4.940 4.800 3.958 4.923 . 0 0 "[ . 1 . 2]" 1
1061 1 40 ASN H 1 49 VAL HA . . 4.800 4.371 3.730 4.498 . 0 0 "[ . 1 . 2]" 1
1062 1 40 ASN HD22 1 49 VAL QG . . 5.500 3.539 2.310 4.736 . 0 0 "[ . 1 . 2]" 1
1063 1 40 ASN H 1 50 VAL QG . . 5.300 4.498 3.129 4.783 . 0 0 "[ . 1 . 2]" 1
1064 1 40 ASN HB3 1 50 VAL H . . 5.120 5.060 4.480 5.233 0.113 15 0 "[ . 1 . 2]" 1
1065 1 40 ASN HD22 1 50 VAL QG . . 5.500 3.352 2.718 4.620 . 0 0 "[ . 1 . 2]" 1
1066 1 40 ASN HD21 1 50 VAL H . . 4.750 4.394 4.042 4.773 0.023 8 0 "[ . 1 . 2]" 1
1067 1 40 ASN HB2 1 50 VAL H . . 5.500 5.224 3.243 5.538 0.038 8 0 "[ . 1 . 2]" 1
1068 1 40 ASN HD21 1 50 VAL QG . . 5.500 4.459 3.556 5.444 . 0 0 "[ . 1 . 2]" 1
1069 1 40 ASN HD22 1 50 VAL H . . 4.580 2.977 2.505 3.943 . 0 0 "[ . 1 . 2]" 1
1070 1 40 ASN H 1 50 VAL H . . 4.080 3.670 3.122 3.819 . 0 0 "[ . 1 . 2]" 1
1071 1 40 ASN H 1 51 ILE HA . . 5.490 5.402 5.144 5.525 0.035 11 0 "[ . 1 . 2]" 1
1072 1 41 PRO HA 1 42 PRO HD3 . . 3.350 2.403 2.384 2.448 . 0 0 "[ . 1 . 2]" 1
1073 1 41 PRO HA 1 42 PRO HD2 . . 3.420 1.941 1.927 1.948 . 0 0 "[ . 1 . 2]" 1
1074 1 41 PRO HA 1 49 VAL QG . . 5.000 4.279 3.818 4.530 . 0 0 "[ . 1 . 2]" 1
1075 1 42 PRO HA 1 43 THR H . . 3.000 2.419 2.152 2.494 . 0 0 "[ . 1 . 2]" 1
1076 1 42 PRO HA 1 44 GLU H . . 4.800 3.829 3.505 4.093 . 0 0 "[ . 1 . 2]" 1
1077 1 42 PRO HD3 1 49 VAL QG . . 4.700 2.815 2.072 3.216 . 0 0 "[ . 1 . 2]" 1
1078 1 42 PRO HA 1 49 VAL QG . . 3.500 2.387 2.063 3.433 . 0 0 "[ . 1 . 2]" 1
1079 1 42 PRO HD2 1 49 VAL QG . . 4.500 4.106 3.593 4.460 . 0 0 "[ . 1 . 2]" 1
1080 1 43 THR H 1 43 THR MG . . 4.200 3.907 3.418 4.037 . 0 0 "[ . 1 . 2]" 1
1081 1 43 THR HB 1 44 GLU QG . . 4.800 3.500 2.744 4.543 . 0 0 "[ . 1 . 2]" 1
1082 1 43 THR MG 1 44 GLU H . . 4.200 3.931 3.735 4.184 . 0 0 "[ . 1 . 2]" 1
1083 1 43 THR H 1 44 GLU H . . 3.500 1.902 1.840 2.124 . 0 0 "[ . 1 . 2]" 1
1084 1 43 THR HB 1 44 GLU H . . 3.500 2.814 2.502 3.393 . 0 0 "[ . 1 . 2]" 1
1085 1 44 GLU H 1 44 GLU QG . . 4.500 2.926 2.172 3.772 . 0 0 "[ . 1 . 2]" 1
1086 1 44 GLU HA 1 44 GLU QG . . 3.800 2.522 2.195 3.049 . 0 0 "[ . 1 . 2]" 1
1087 1 44 GLU H 1 45 PRO HD3 . . 5.500 4.630 4.456 4.879 . 0 0 "[ . 1 . 2]" 1
1088 1 44 GLU HA 1 45 PRO HD2 . . 3.140 1.991 1.930 2.140 . 0 0 "[ . 1 . 2]" 1
1089 1 44 GLU HA 1 45 PRO HG3 . . 4.530 4.323 4.315 4.344 . 0 0 "[ . 1 . 2]" 1
1090 1 44 GLU H 1 45 PRO HD2 . . 5.500 4.776 4.718 4.833 . 0 0 "[ . 1 . 2]" 1
1091 1 44 GLU HA 1 45 PRO HD3 . . 3.310 2.326 2.252 2.395 . 0 0 "[ . 1 . 2]" 1
1092 1 44 GLU QG 1 45 PRO HD3 . . 5.000 4.493 3.888 5.124 0.124 2 0 "[ . 1 . 2]" 1
1093 1 44 GLU QG 1 45 PRO HD2 . . 5.500 3.652 2.523 4.495 . 0 0 "[ . 1 . 2]" 1
1094 1 44 GLU H 1 47 GLN H . . 5.500 5.474 5.241 5.562 0.062 9 0 "[ . 1 . 2]" 1
1095 1 45 PRO HA 1 46 GLY H . . 2.870 2.168 2.155 2.204 . 0 0 "[ . 1 . 2]" 1
1096 1 45 PRO HB3 1 46 GLY H . . 4.500 3.957 3.814 4.051 . 0 0 "[ . 1 . 2]" 1
1097 1 45 PRO HA 1 46 GLY HA3 . . 4.570 4.420 4.405 4.452 . 0 0 "[ . 1 . 2]" 1
1098 1 45 PRO HB2 1 46 GLY H . . 4.500 3.464 3.244 3.604 . 0 0 "[ . 1 . 2]" 1
1099 1 45 PRO HA 1 46 GLY HA2 . . 4.700 4.419 4.398 4.453 . 0 0 "[ . 1 . 2]" 1
1100 1 45 PRO HA 1 47 GLN H . . 4.500 3.383 3.280 3.475 . 0 0 "[ . 1 . 2]" 1
1101 1 46 GLY H 1 47 GLN H . . 3.240 2.452 2.325 2.609 . 0 0 "[ . 1 . 2]" 1
1102 1 46 GLY HA3 1 47 GLN H . . 4.000 3.252 3.132 3.366 . 0 0 "[ . 1 . 2]" 1
1103 1 46 GLY H 1 47 GLN HA . . 5.280 5.055 4.989 5.181 . 0 0 "[ . 1 . 2]" 1
1104 1 46 GLY HA2 1 47 GLN H . . 4.000 3.298 3.176 3.397 . 0 0 "[ . 1 . 2]" 1
1105 1 47 GLN H 1 47 GLN HG3 . . 4.550 4.195 2.935 4.612 0.062 13 0 "[ . 1 . 2]" 1
1106 1 47 GLN H 1 47 GLN HG2 . . 4.550 3.995 2.942 4.590 0.040 3 0 "[ . 1 . 2]" 1
1107 1 47 GLN HA 1 47 GLN HG3 . . 4.030 2.950 2.413 3.691 . 0 0 "[ . 1 . 2]" 1
1108 1 47 GLN HA 1 47 GLN HG2 . . 4.190 2.890 2.158 3.814 . 0 0 "[ . 1 . 2]" 1
1109 1 47 GLN H 1 47 GLN HB2 . . 3.010 2.521 2.240 2.833 . 0 0 "[ . 1 . 2]" 1
1110 1 47 GLN HA 1 48 PRO HG3 . . 4.320 4.358 4.315 4.410 0.090 2 0 "[ . 1 . 2]" 1
1111 1 47 GLN H 1 48 PRO HD3 . . 4.820 4.862 4.462 4.987 0.167 2 0 "[ . 1 . 2]" 1
1112 1 47 GLN H 1 48 PRO HD2 . . 4.910 4.827 4.718 4.840 . 0 0 "[ . 1 . 2]" 1
1113 1 47 GLN HA 1 48 PRO HD2 . . 3.350 2.156 1.931 2.290 . 0 0 "[ . 1 . 2]" 1
1114 1 47 GLN HA 1 48 PRO HD3 . . 3.270 2.267 2.252 2.394 . 0 0 "[ . 1 . 2]" 1
1115 1 48 PRO HB2 1 49 VAL H . . 4.510 3.961 3.734 4.113 . 0 0 "[ . 1 . 2]" 1
1116 1 48 PRO HA 1 49 VAL H . . 3.050 2.210 2.155 2.278 . 0 0 "[ . 1 . 2]" 1
1117 1 48 PRO HB3 1 49 VAL H . . 4.010 4.309 4.140 4.428 0.418 8 0 "[ . 1 . 2]" 1
1118 1 49 VAL HA 1 49 VAL QG . . 3.300 2.095 2.037 2.236 . 0 0 "[ . 1 . 2]" 1
1119 1 49 VAL H 1 49 VAL QG . . 3.500 2.385 1.974 2.604 . 0 0 "[ . 1 . 2]" 1
1120 1 49 VAL H 1 49 VAL HB . . 4.000 2.564 2.479 2.770 . 0 0 "[ . 1 . 2]" 1
1121 1 49 VAL QG 1 50 VAL H . . 4.000 2.660 2.202 2.890 . 0 0 "[ . 1 . 2]" 1
1122 1 49 VAL HB 1 50 VAL H . . 4.610 4.278 4.133 4.352 . 0 0 "[ . 1 . 2]" 1
1123 1 49 VAL H 1 50 VAL H . . 4.920 4.393 4.278 4.537 . 0 0 "[ . 1 . 2]" 1
1124 1 49 VAL HA 1 50 VAL H . . 3.130 2.144 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
1125 1 49 VAL QG 1 51 ILE MD . . 3.200 2.321 2.059 2.497 . 0 0 "[ . 1 . 2]" 1
1126 1 49 VAL HB 1 51 ILE MD . . 4.890 3.837 3.040 4.849 . 0 0 "[ . 1 . 2]" 1
1127 1 49 VAL QG 1 51 ILE HG12 . . 3.500 2.958 2.691 3.307 . 0 0 "[ . 1 . 2]" 1
1128 1 49 VAL QG 1 51 ILE MG . . 4.470 4.325 4.068 4.451 . 0 0 "[ . 1 . 2]" 1
1129 1 50 VAL H 1 50 VAL QG . . 4.000 2.373 1.897 2.556 . 0 0 "[ . 1 . 2]" 1
1130 1 50 VAL H 1 50 VAL HB . . 3.800 2.675 2.494 3.663 . 0 0 "[ . 1 . 2]" 1
1131 1 50 VAL H 1 51 ILE MD . . 5.500 5.267 4.867 5.387 . 0 0 "[ . 1 . 2]" 1
1132 1 50 VAL H 1 51 ILE H . . 4.810 4.529 4.416 4.555 . 0 0 "[ . 1 . 2]" 1
1133 1 50 VAL HB 1 51 ILE H . . 4.350 3.906 3.021 4.190 . 0 0 "[ . 1 . 2]" 1
1134 1 50 VAL HA 1 51 ILE H . . 3.100 2.191 2.149 2.214 . 0 0 "[ . 1 . 2]" 1
1135 1 50 VAL QG 1 51 ILE MG . . 5.160 4.702 4.551 5.088 . 0 0 "[ . 1 . 2]" 1
1136 1 50 VAL H 1 51 ILE HG13 . . 4.360 4.288 4.164 4.364 0.004 6 0 "[ . 1 . 2]" 1
1137 1 50 VAL QG 1 51 ILE H . . 3.540 2.426 2.029 3.445 . 0 0 "[ . 1 . 2]" 1
1138 1 51 ILE HA 1 51 ILE MG . . 3.230 2.294 2.191 2.399 . 0 0 "[ . 1 . 2]" 1
1139 1 51 ILE HG12 1 51 ILE MG . . 3.290 2.240 1.932 2.399 . 0 0 "[ . 1 . 2]" 1
1140 1 51 ILE H 1 51 ILE MD . . 4.500 4.011 3.200 4.198 . 0 0 "[ . 1 . 2]" 1
1141 1 51 ILE HA 1 51 ILE HG12 . . 4.080 2.714 2.641 3.095 . 0 0 "[ . 1 . 2]" 1
1142 1 51 ILE H 1 51 ILE MG . . 4.140 3.943 3.886 3.974 . 0 0 "[ . 1 . 2]" 1
1143 1 51 ILE H 1 51 ILE HG12 . . 4.390 4.075 3.832 4.374 . 0 0 "[ . 1 . 2]" 1
1144 1 51 ILE HB 1 51 ILE MD . . 3.150 2.301 2.131 2.378 . 0 0 "[ . 1 . 2]" 1
1145 1 51 ILE HG13 1 51 ILE MG . . 3.300 3.169 3.015 3.201 . 0 0 "[ . 1 . 2]" 1
1146 1 51 ILE H 1 51 ILE HB . . 3.710 2.874 2.741 2.951 . 0 0 "[ . 1 . 2]" 1
1147 1 51 ILE H 1 51 ILE HG13 . . 3.750 2.897 2.693 3.016 . 0 0 "[ . 1 . 2]" 1
1148 1 51 ILE HG13 1 52 LEU H . . 5.130 5.047 4.668 5.160 0.030 20 0 "[ . 1 . 2]" 1
1149 1 51 ILE HG12 1 52 LEU H . . 4.910 4.722 4.571 4.904 . 0 0 "[ . 1 . 2]" 1
1150 1 51 ILE MG 1 52 LEU HB3 . . 5.500 5.045 4.859 5.175 . 0 0 "[ . 1 . 2]" 1
1151 1 51 ILE HB 1 52 LEU H . . 4.470 4.266 4.184 4.325 . 0 0 "[ . 1 . 2]" 1
1152 1 51 ILE MG 1 52 LEU H . . 3.230 2.785 2.538 2.986 . 0 0 "[ . 1 . 2]" 1
1153 1 51 ILE MG 1 52 LEU HB2 . . 4.670 4.416 4.170 4.561 . 0 0 "[ . 1 . 2]" 1
1154 1 51 ILE HA 1 52 LEU H . . 3.200 2.144 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
1155 1 51 ILE H 1 52 LEU QD . . 4.510 4.019 3.776 4.314 . 0 0 "[ . 1 . 2]" 1
1156 1 51 ILE MG 1 52 LEU QD . . 4.760 4.470 4.171 4.643 . 0 0 "[ . 1 . 2]" 1
1157 1 51 ILE HA 1 52 LEU QD . . 4.120 3.787 3.548 4.017 . 0 0 "[ . 1 . 2]" 1
1158 1 51 ILE HB 1 53 ILE MG . . 3.950 3.102 2.856 3.259 . 0 0 "[ . 1 . 2]" 1
1159 1 51 ILE HG12 1 53 ILE MG . . 5.250 4.945 4.523 5.189 . 0 0 "[ . 1 . 2]" 1
1160 1 51 ILE MG 1 53 ILE MG . . 3.190 2.044 1.840 2.243 . 0 0 "[ . 1 . 2]" 1
1161 1 51 ILE MG 1 53 ILE HB . . 4.830 4.489 4.237 4.696 . 0 0 "[ . 1 . 2]" 1
1162 1 51 ILE HG13 1 53 ILE MG . . 5.500 5.168 4.975 5.307 . 0 0 "[ . 1 . 2]" 1
1163 1 51 ILE H 1 53 ILE MG . . 5.150 4.977 4.673 5.144 . 0 0 "[ . 1 . 2]" 1
1164 1 51 ILE MG 1 61 PHE QE . . 3.120 2.278 2.055 2.648 . 0 0 "[ . 1 . 2]" 1
1165 1 51 ILE HG12 1 61 PHE QE . . 5.200 4.830 4.053 5.182 . 0 0 "[ . 1 . 2]" 1
1166 1 51 ILE MG 1 61 PHE QD . . 4.710 3.814 3.453 4.080 . 0 0 "[ . 1 . 2]" 1
1167 1 51 ILE MD 1 61 PHE QE . . 3.020 2.891 2.673 3.040 0.020 20 0 "[ . 1 . 2]" 1
1168 1 51 ILE MD 1 61 PHE QD . . 4.860 4.413 4.184 4.606 . 0 0 "[ . 1 . 2]" 1
1169 1 51 ILE HB 1 61 PHE QE . . 3.790 3.591 3.446 3.773 . 0 0 "[ . 1 . 2]" 1
1170 1 51 ILE HG13 1 61 PHE QE . . 5.200 5.143 4.980 5.236 0.036 17 0 "[ . 1 . 2]" 1
1171 1 52 LEU H 1 52 LEU HB3 . . 3.830 3.415 3.362 3.453 . 0 0 "[ . 1 . 2]" 1
1172 1 52 LEU HB3 1 52 LEU QD . . 2.970 2.119 2.010 2.283 . 0 0 "[ . 1 . 2]" 1
1173 1 52 LEU H 1 52 LEU HG . . 4.220 4.111 3.933 4.228 0.008 19 0 "[ . 1 . 2]" 1
1174 1 52 LEU H 1 52 LEU QD . . 3.520 2.640 2.344 2.929 . 0 0 "[ . 1 . 2]" 1
1175 1 52 LEU H 1 52 LEU HB2 . . 3.420 2.137 2.115 2.163 . 0 0 "[ . 1 . 2]" 1
1176 1 52 LEU H 1 53 ILE MG . . 5.500 4.093 3.953 4.243 . 0 0 "[ . 1 . 2]" 1
1177 1 52 LEU HB3 1 53 ILE H . . 4.210 3.834 3.718 3.958 . 0 0 "[ . 1 . 2]" 1
1178 1 52 LEU HB2 1 53 ILE H . . 4.790 4.574 4.534 4.609 . 0 0 "[ . 1 . 2]" 1
1179 1 52 LEU HA 1 53 ILE H . . 3.500 2.168 2.143 2.207 . 0 0 "[ . 1 . 2]" 1
1180 1 53 ILE H 1 53 ILE MD . . 4.580 3.849 3.766 3.900 . 0 0 "[ . 1 . 2]" 1
1181 1 53 ILE H 1 53 ILE HB . . 4.100 3.794 3.741 3.827 . 0 0 "[ . 1 . 2]" 1
1182 1 53 ILE HG13 1 53 ILE MG . . 3.690 3.185 3.125 3.194 . 0 0 "[ . 1 . 2]" 1
1183 1 53 ILE MD 1 53 ILE MG . . 3.140 2.153 2.037 2.516 . 0 0 "[ . 1 . 2]" 1
1184 1 53 ILE HB 1 53 ILE MD . . 3.630 2.355 2.135 2.466 . 0 0 "[ . 1 . 2]" 1
1185 1 53 ILE H 1 53 ILE HG13 . . 4.030 3.112 2.509 3.338 . 0 0 "[ . 1 . 2]" 1
1186 1 53 ILE H 1 53 ILE MG . . 4.650 2.795 2.681 2.899 . 0 0 "[ . 1 . 2]" 1
1187 1 53 ILE H 1 53 ILE HG12 . . 4.430 2.249 2.149 2.457 . 0 0 "[ . 1 . 2]" 1
1188 1 53 ILE H 1 54 PRO HD2 . . 5.180 4.817 4.813 4.822 . 0 0 "[ . 1 . 2]" 1
1189 1 53 ILE HB 1 54 PRO HD2 . . 4.340 1.967 1.959 2.000 . 0 0 "[ . 1 . 2]" 1
1190 1 53 ILE MD 1 54 PRO HD3 . . 5.480 5.216 4.969 5.268 . 0 0 "[ . 1 . 2]" 1
1191 1 53 ILE MG 1 54 PRO HD2 . . 4.500 3.296 3.145 3.415 . 0 0 "[ . 1 . 2]" 1
1192 1 53 ILE MD 1 54 PRO HD2 . . 4.510 3.898 3.613 3.964 . 0 0 "[ . 1 . 2]" 1
1193 1 53 ILE MG 1 54 PRO HD3 . . 4.500 4.008 3.865 4.118 . 0 0 "[ . 1 . 2]" 1
1194 1 53 ILE HB 1 54 PRO HD3 . . 4.840 3.412 3.401 3.434 . 0 0 "[ . 1 . 2]" 1
1195 1 53 ILE H 1 54 PRO HD3 . . 5.230 4.985 4.962 5.012 . 0 0 "[ . 1 . 2]" 1
1196 1 53 ILE MD 1 55 SER HA . . 5.350 4.977 4.412 5.105 . 0 0 "[ . 1 . 2]" 1
1197 1 53 ILE HB 1 57 MET HB2 . . 4.830 2.722 2.595 2.867 . 0 0 "[ . 1 . 2]" 1
1198 1 53 ILE MD 1 57 MET HB3 . . 4.500 3.195 3.003 3.298 . 0 0 "[ . 1 . 2]" 1
1199 1 53 ILE MG 1 57 MET HB3 . . 5.050 4.072 3.942 4.185 . 0 0 "[ . 1 . 2]" 1
1200 1 53 ILE MD 1 57 MET H . . 4.300 4.256 3.772 4.322 0.022 18 0 "[ . 1 . 2]" 1
1201 1 53 ILE MD 1 57 MET HB2 . . 4.390 3.259 2.956 3.394 . 0 0 "[ . 1 . 2]" 1
1202 1 53 ILE MG 1 57 MET HB2 . . 4.940 4.112 3.982 4.304 . 0 0 "[ . 1 . 2]" 1
1203 1 53 ILE MD 1 57 MET ME . . 4.240 4.244 4.201 4.275 0.035 20 0 "[ . 1 . 2]" 1
1204 1 53 ILE MG 1 57 MET ME . . 4.860 4.458 4.355 4.538 . 0 0 "[ . 1 . 2]" 1
1205 1 53 ILE MD 1 58 VAL HA . . 3.400 2.025 1.882 2.232 . 0 0 "[ . 1 . 2]" 1
1206 1 53 ILE MD 1 58 VAL HB . . 4.540 3.870 3.027 4.484 . 0 0 "[ . 1 . 2]" 1
1207 1 53 ILE MD 1 58 VAL QG . . 3.410 2.749 2.269 3.272 . 0 0 "[ . 1 . 2]" 1
1208 1 53 ILE MD 1 58 VAL H . . 4.340 3.790 3.333 3.866 . 0 0 "[ . 1 . 2]" 1
1209 1 53 ILE MG 1 58 VAL HA . . 5.020 4.991 4.883 5.071 0.051 4 0 "[ . 1 . 2]" 1
1210 1 53 ILE MG 1 61 PHE HB3 . . 5.320 4.622 4.462 4.831 . 0 0 "[ . 1 . 2]" 1
1211 1 53 ILE MD 1 61 PHE HB2 . . 4.320 2.301 2.144 2.501 . 0 0 "[ . 1 . 2]" 1
1212 1 53 ILE MD 1 61 PHE QD . . 3.800 1.947 1.877 2.071 . 0 0 "[ . 1 . 2]" 1
1213 1 53 ILE MG 1 61 PHE QE . . 3.670 2.500 2.004 2.824 . 0 0 "[ . 1 . 2]" 1
1214 1 53 ILE MD 1 61 PHE HB3 . . 4.260 2.750 2.556 2.924 . 0 0 "[ . 1 . 2]" 1
1215 1 53 ILE MD 1 61 PHE QE . . 3.880 3.627 3.503 3.898 0.018 15 0 "[ . 1 . 2]" 1
1216 1 53 ILE MG 1 61 PHE HB2 . . 5.240 3.952 3.813 4.160 . 0 0 "[ . 1 . 2]" 1
1217 1 53 ILE MD 1 61 PHE H . . 4.570 3.578 3.408 3.753 . 0 0 "[ . 1 . 2]" 1
1218 1 53 ILE MG 1 61 PHE QD . . 5.200 2.166 1.927 2.449 . 0 0 "[ . 1 . 2]" 1
1219 1 54 PRO HB3 1 55 SER H . . 4.020 3.588 3.540 3.660 . 0 0 "[ . 1 . 2]" 1
1220 1 54 PRO HA 1 55 SER H . . 2.980 2.307 2.265 2.337 . 0 0 "[ . 1 . 2]" 1
1221 1 54 PRO HB2 1 55 SER H . . 4.010 2.865 2.779 2.991 . 0 0 "[ . 1 . 2]" 1
1222 1 54 PRO HG3 1 56 ASP QB . . 4.510 4.224 4.047 4.384 . 0 0 "[ . 1 . 2]" 1
1223 1 54 PRO HG2 1 56 ASP H . . 3.710 3.393 3.311 3.520 . 0 0 "[ . 1 . 2]" 1
1224 1 54 PRO HD2 1 56 ASP H . . 5.400 5.245 5.176 5.346 . 0 0 "[ . 1 . 2]" 1
1225 1 54 PRO HG2 1 56 ASP QB . . 4.180 3.520 3.267 3.681 . 0 0 "[ . 1 . 2]" 1
1226 1 54 PRO HB2 1 56 ASP H . . 3.940 2.170 2.152 2.211 . 0 0 "[ . 1 . 2]" 1
1227 1 54 PRO HG3 1 56 ASP H . . 4.790 4.504 4.445 4.602 . 0 0 "[ . 1 . 2]" 1
1228 1 54 PRO HG3 1 57 MET HG2 . . 4.120 3.388 3.301 3.610 . 0 0 "[ . 1 . 2]" 1
1229 1 54 PRO HB2 1 57 MET H . . 3.870 3.602 3.416 3.721 . 0 0 "[ . 1 . 2]" 1
1230 1 54 PRO HG2 1 57 MET H . . 3.490 3.080 2.877 3.238 . 0 0 "[ . 1 . 2]" 1
1231 1 54 PRO HD3 1 57 MET HG2 . . 5.400 4.953 4.855 5.070 . 0 0 "[ . 1 . 2]" 1
1232 1 54 PRO HD2 1 57 MET ME . . 4.840 4.522 4.328 4.750 . 0 0 "[ . 1 . 2]" 1
1233 1 54 PRO HD2 1 57 MET HG2 . . 4.940 3.923 3.828 4.030 . 0 0 "[ . 1 . 2]" 1
1234 1 54 PRO HG2 1 57 MET HG2 . . 4.340 2.255 2.176 2.421 . 0 0 "[ . 1 . 2]" 1
1235 1 54 PRO HD2 1 57 MET H . . 4.940 4.423 4.281 4.576 . 0 0 "[ . 1 . 2]" 1
1236 1 54 PRO HB2 1 58 VAL H . . 5.500 5.460 5.327 5.544 0.044 11 0 "[ . 1 . 2]" 1
1237 1 55 SER H 1 55 SER HB2 . . 3.600 2.764 2.268 3.438 . 0 0 "[ . 1 . 2]" 1
1238 1 55 SER H 1 55 SER HB3 . . 3.310 2.943 2.098 3.593 0.283 3 0 "[ . 1 . 2]" 1
1239 1 55 SER HB3 1 56 ASP H . . 3.600 3.785 3.216 4.456 0.856 19 7 "[* - . * 1 * ** +2]" 1
1240 1 55 SER HA 1 57 MET H . . 3.960 3.483 3.412 3.575 . 0 0 "[ . 1 . 2]" 1
1241 1 55 SER HB2 1 57 MET H . . 5.500 5.222 4.895 5.527 0.027 4 0 "[ . 1 . 2]" 1
1242 1 55 SER HA 1 58 VAL H . . 3.790 3.433 3.264 3.578 . 0 0 "[ . 1 . 2]" 1
1243 1 55 SER HA 1 58 VAL QG . . 3.200 2.172 1.847 2.766 . 0 0 "[ . 1 . 2]" 1
1244 1 55 SER HA 1 59 GLU H . . 5.500 5.420 5.244 5.537 0.037 8 0 "[ . 1 . 2]" 1
1245 1 56 ASP H 1 56 ASP QB . . 3.370 2.344 2.185 2.684 . 0 0 "[ . 1 . 2]" 1
1246 1 56 ASP H 1 57 MET H . . 3.160 2.459 2.374 2.541 . 0 0 "[ . 1 . 2]" 1
1247 1 56 ASP QB 1 57 MET H . . 4.720 3.433 3.274 3.531 . 0 0 "[ . 1 . 2]" 1
1248 1 56 ASP H 1 58 VAL H . . 4.350 4.032 3.907 4.104 . 0 0 "[ . 1 . 2]" 1
1249 1 56 ASP H 1 58 VAL QG . . 4.350 4.067 3.814 4.349 . 0 0 "[ . 1 . 2]" 1
1250 1 56 ASP HA 1 58 VAL H . . 4.180 3.887 3.846 3.935 . 0 0 "[ . 1 . 2]" 1
1251 1 56 ASP HA 1 59 GLU H . . 5.380 4.966 4.821 5.136 . 0 0 "[ . 1 . 2]" 1
1252 1 57 MET HB2 1 57 MET ME . . 4.070 3.433 3.381 3.492 . 0 0 "[ . 1 . 2]" 1
1253 1 57 MET ME 1 57 MET HG2 . . 3.410 3.397 3.389 3.401 . 0 0 "[ . 1 . 2]" 1
1254 1 57 MET H 1 57 MET ME . . 5.370 5.000 4.930 5.095 . 0 0 "[ . 1 . 2]" 1
1255 1 57 MET ME 1 57 MET HG3 . . 3.440 2.464 2.384 2.524 . 0 0 "[ . 1 . 2]" 1
1256 1 57 MET H 1 57 MET HG2 . . 4.200 3.239 3.109 3.373 . 0 0 "[ . 1 . 2]" 1
1257 1 57 MET H 1 57 MET HB2 . . 3.340 2.621 2.530 2.687 . 0 0 "[ . 1 . 2]" 1
1258 1 57 MET H 1 57 MET HB3 . . 3.860 3.761 3.709 3.800 . 0 0 "[ . 1 . 2]" 1
1259 1 57 MET HB3 1 57 MET ME . . 3.000 2.037 1.951 2.171 . 0 0 "[ . 1 . 2]" 1
1260 1 57 MET HA 1 57 MET ME . . 4.120 3.076 2.933 3.203 . 0 0 "[ . 1 . 2]" 1
1261 1 57 MET HA 1 57 MET HG3 . . 3.800 3.714 3.692 3.734 . 0 0 "[ . 1 . 2]" 1
1262 1 57 MET H 1 57 MET HG3 . . 4.500 4.369 4.272 4.451 . 0 0 "[ . 1 . 2]" 1
1263 1 57 MET HA 1 57 MET HG2 . . 3.770 2.914 2.855 2.972 . 0 0 "[ . 1 . 2]" 1
1264 1 57 MET HB3 1 58 VAL H . . 4.400 4.286 4.229 4.325 . 0 0 "[ . 1 . 2]" 1
1265 1 57 MET H 1 58 VAL QG . . 3.500 3.052 2.775 3.467 . 0 0 "[ . 1 . 2]" 1
1266 1 57 MET HA 1 58 VAL QG . . 5.140 4.342 4.110 4.607 . 0 0 "[ . 1 . 2]" 1
1267 1 57 MET H 1 58 VAL H . . 3.060 1.977 1.889 2.062 . 0 0 "[ . 1 . 2]" 1
1268 1 57 MET H 1 58 VAL HA . . 4.830 4.315 4.262 4.389 . 0 0 "[ . 1 . 2]" 1
1269 1 57 MET HG2 1 58 VAL H . . 5.020 4.811 4.768 4.852 . 0 0 "[ . 1 . 2]" 1
1270 1 57 MET H 1 58 VAL HB . . 5.310 4.495 4.028 5.337 0.027 8 0 "[ . 1 . 2]" 1
1271 1 57 MET HA 1 59 GLU H . . 4.470 4.053 3.808 4.444 . 0 0 "[ . 1 . 2]" 1
1272 1 57 MET H 1 59 GLU H . . 4.600 4.371 4.154 4.605 0.005 7 0 "[ . 1 . 2]" 1
1273 1 57 MET ME 1 60 TRP HE3 . . 3.230 2.786 2.516 2.887 . 0 0 "[ . 1 . 2]" 1
1274 1 57 MET ME 1 60 TRP HB3 . . 5.000 2.621 2.436 2.762 . 0 0 "[ . 1 . 2]" 1
1275 1 57 MET ME 1 60 TRP HZ3 . . 3.990 3.922 3.685 4.040 0.050 17 0 "[ . 1 . 2]" 1
1276 1 57 MET ME 1 60 TRP HD1 . . 4.850 4.256 3.812 4.665 . 0 0 "[ . 1 . 2]" 1
1277 1 57 MET HA 1 60 TRP HE3 . . 5.010 4.792 4.563 5.021 0.011 12 0 "[ . 1 . 2]" 1
1278 1 57 MET ME 1 60 TRP HB2 . . 5.000 3.417 3.204 3.614 . 0 0 "[ . 1 . 2]" 1
1279 1 57 MET ME 1 60 TRP H . . 4.720 4.510 4.323 4.662 . 0 0 "[ . 1 . 2]" 1
1280 1 57 MET HA 1 60 TRP H . . 4.120 3.314 3.132 3.427 . 0 0 "[ . 1 . 2]" 1
1281 1 57 MET HA 1 61 PHE H . . 4.710 4.352 4.156 4.522 . 0 0 "[ . 1 . 2]" 1
1282 1 57 MET ME 1 61 PHE H . . 4.110 4.065 3.752 4.122 0.012 6 0 "[ . 1 . 2]" 1
1283 1 57 MET ME 1 61 PHE QD . . 4.980 4.545 4.354 4.646 . 0 0 "[ . 1 . 2]" 1
1284 1 58 VAL H 1 58 VAL HB . . 3.650 2.869 2.460 3.621 . 0 0 "[ . 1 . 2]" 1
1285 1 58 VAL H 1 58 VAL QG . . 3.040 1.984 1.827 2.205 . 0 0 "[ . 1 . 2]" 1
1286 1 58 VAL HA 1 58 VAL QG . . 3.200 2.235 2.112 2.320 . 0 0 "[ . 1 . 2]" 1
1287 1 58 VAL H 1 59 GLU HG3 . . 5.500 4.444 3.860 5.455 . 0 0 "[ . 1 . 2]" 1
1288 1 58 VAL QG 1 59 GLU HG2 . . 4.500 3.048 2.225 5.018 0.518 17 1 "[ . 1 . + 2]" 1
1289 1 58 VAL H 1 59 GLU HA . . 5.280 5.219 5.137 5.284 0.004 5 0 "[ . 1 . 2]" 1
1290 1 58 VAL H 1 59 GLU HG2 . . 5.500 5.043 3.630 5.597 0.097 17 0 "[ . 1 . 2]" 1
1291 1 58 VAL QG 1 59 GLU HG3 . . 4.500 3.256 2.382 4.853 0.353 6 0 "[ . 1 . 2]" 1
1292 1 58 VAL H 1 59 GLU QB . . 4.960 4.690 4.554 4.811 . 0 0 "[ . 1 . 2]" 1
1293 1 58 VAL QG 1 59 GLU HA . . 3.800 3.273 3.078 3.557 . 0 0 "[ . 1 . 2]" 1
1294 1 58 VAL H 1 59 GLU H . . 3.340 2.609 2.510 2.712 . 0 0 "[ . 1 . 2]" 1
1295 1 58 VAL QG 1 59 GLU H . . 3.800 2.319 1.893 3.312 . 0 0 "[ . 1 . 2]" 1
1296 1 58 VAL HA 1 59 GLU HA . . 4.950 4.797 4.747 4.830 . 0 0 "[ . 1 . 2]" 1
1297 1 58 VAL HB 1 59 GLU H . . 3.850 3.320 2.279 3.928 0.078 19 0 "[ . 1 . 2]" 1
1298 1 58 VAL HA 1 60 TRP HE3 . . 5.500 5.362 5.153 5.514 0.014 14 0 "[ . 1 . 2]" 1
1299 1 58 VAL H 1 60 TRP H . . 4.240 4.064 3.922 4.241 0.001 2 0 "[ . 1 . 2]" 1
1300 1 58 VAL QG 1 60 TRP H . . 4.990 4.170 3.870 4.665 . 0 0 "[ . 1 . 2]" 1
1301 1 58 VAL QG 1 61 PHE H . . 5.080 4.508 4.354 4.731 . 0 0 "[ . 1 . 2]" 1
1302 1 58 VAL HA 1 61 PHE H . . 3.950 3.650 3.543 3.794 . 0 0 "[ . 1 . 2]" 1
1303 1 58 VAL HA 1 61 PHE HB3 . . 4.800 3.708 3.551 3.979 . 0 0 "[ . 1 . 2]" 1
1304 1 58 VAL HA 1 61 PHE HB2 . . 4.800 3.391 3.183 3.638 . 0 0 "[ . 1 . 2]" 1
1305 1 58 VAL HA 1 61 PHE QD . . 4.950 4.661 4.487 4.938 . 0 0 "[ . 1 . 2]" 1
1306 1 58 VAL QG 1 62 LEU H . . 4.800 4.004 3.666 4.706 . 0 0 "[ . 1 . 2]" 1
1307 1 58 VAL HA 1 62 LEU H . . 4.290 3.959 3.731 4.132 . 0 0 "[ . 1 . 2]" 1
1308 1 58 VAL QG 1 62 LEU HB2 . . 5.200 3.592 2.855 4.465 . 0 0 "[ . 1 . 2]" 1
1309 1 58 VAL HA 1 62 LEU QD . . 5.350 4.274 3.578 4.837 . 0 0 "[ . 1 . 2]" 1
1310 1 58 VAL QG 1 62 LEU HB3 . . 5.200 4.618 3.847 5.557 0.357 1 0 "[ . 1 . 2]" 1
1311 1 59 GLU HA 1 59 GLU QB . . 2.750 2.331 2.178 2.377 . 0 0 "[ . 1 . 2]" 1
1312 1 59 GLU H 1 59 GLU HG2 . . 3.500 2.785 1.908 3.556 0.056 17 0 "[ . 1 . 2]" 1
1313 1 59 GLU H 1 59 GLU QB . . 3.000 2.540 2.440 2.686 . 0 0 "[ . 1 . 2]" 1
1314 1 59 GLU HA 1 59 GLU HG2 . . 3.800 2.643 2.385 3.666 . 0 0 "[ . 1 . 2]" 1
1315 1 59 GLU H 1 59 GLU HG3 . . 3.500 2.436 1.998 3.306 . 0 0 "[ . 1 . 2]" 1
1316 1 59 GLU HA 1 59 GLU HG3 . . 3.800 3.439 2.656 3.830 0.030 2 0 "[ . 1 . 2]" 1
1317 1 59 GLU QB 1 60 TRP HA . . 4.180 3.879 3.807 4.181 0.001 2 0 "[ . 1 . 2]" 1
1318 1 59 GLU H 1 60 TRP HB2 . . 5.300 5.174 5.014 5.301 0.001 7 0 "[ . 1 . 2]" 1
1319 1 59 GLU HG3 1 60 TRP H . . 5.200 4.163 2.057 4.794 . 0 0 "[ . 1 . 2]" 1
1320 1 59 GLU H 1 60 TRP H . . 3.340 2.686 2.548 2.799 . 0 0 "[ . 1 . 2]" 1
1321 1 59 GLU QB 1 60 TRP H . . 3.110 2.627 2.465 3.256 0.146 2 0 "[ . 1 . 2]" 1
1322 1 59 GLU HG2 1 60 TRP H . . 5.200 4.599 2.411 4.951 . 0 0 "[ . 1 . 2]" 1
1323 1 59 GLU H 1 60 TRP HB3 . . 5.300 4.818 4.682 4.938 . 0 0 "[ . 1 . 2]" 1
1324 1 59 GLU H 1 61 PHE H . . 4.740 4.431 4.335 4.563 . 0 0 "[ . 1 . 2]" 1
1325 1 59 GLU HA 1 61 PHE H . . 5.060 4.758 4.711 4.803 . 0 0 "[ . 1 . 2]" 1
1326 1 59 GLU HA 1 62 LEU HB2 . . 3.470 2.657 2.278 3.473 0.003 14 0 "[ . 1 . 2]" 1
1327 1 59 GLU H 1 62 LEU H . . 4.850 4.665 4.571 4.744 . 0 0 "[ . 1 . 2]" 1
1328 1 59 GLU H 1 62 LEU QD . . 5.030 4.286 3.507 5.027 . 0 0 "[ . 1 . 2]" 1
1329 1 59 GLU HG3 1 62 LEU QD . . 5.000 4.876 3.698 5.392 0.392 6 0 "[ . 1 . 2]" 1
1330 1 59 GLU QB 1 62 LEU H . . 5.370 4.890 4.760 5.149 . 0 0 "[ . 1 . 2]" 1
1331 1 59 GLU HA 1 62 LEU H . . 4.050 3.570 3.456 3.740 . 0 0 "[ . 1 . 2]" 1
1332 1 59 GLU HA 1 62 LEU HB3 . . 3.720 3.366 2.659 3.761 0.041 17 0 "[ . 1 . 2]" 1
1333 1 59 GLU HG2 1 62 LEU QD . . 5.000 3.877 3.138 4.825 . 0 0 "[ . 1 . 2]" 1
1334 1 59 GLU QB 1 62 LEU HB3 . . 5.450 4.933 4.356 5.328 . 0 0 "[ . 1 . 2]" 1
1335 1 59 GLU HA 1 62 LEU QD . . 3.560 2.683 2.028 3.286 . 0 0 "[ . 1 . 2]" 1
1336 1 59 GLU HA 1 63 GLU H . . 4.200 3.880 3.619 4.002 . 0 0 "[ . 1 . 2]" 1
1337 1 60 TRP H 1 60 TRP HB3 . . 3.090 2.434 2.418 2.458 . 0 0 "[ . 1 . 2]" 1
1338 1 60 TRP H 1 60 TRP HB2 . . 2.970 2.634 2.613 2.654 . 0 0 "[ . 1 . 2]" 1
1339 1 60 TRP H 1 60 TRP HE3 . . 4.930 4.505 4.463 4.578 . 0 0 "[ . 1 . 2]" 1
1340 1 60 TRP HB3 1 60 TRP HE3 . . 4.140 2.551 2.502 2.573 . 0 0 "[ . 1 . 2]" 1
1341 1 60 TRP HA 1 60 TRP HE3 . . 4.980 4.605 4.558 4.687 . 0 0 "[ . 1 . 2]" 1
1342 1 60 TRP HA 1 60 TRP HE1 . . 5.140 5.144 5.069 5.175 0.035 3 0 "[ . 1 . 2]" 1
1343 1 60 TRP HE3 1 61 PHE HB3 . . 4.630 4.113 3.976 4.417 . 0 0 "[ . 1 . 2]" 1
1344 1 60 TRP HE3 1 61 PHE QD . . 4.220 3.406 3.308 3.517 . 0 0 "[ . 1 . 2]" 1
1345 1 60 TRP HH2 1 61 PHE QD . . 5.500 5.052 4.900 5.392 . 0 0 "[ . 1 . 2]" 1
1346 1 60 TRP HE3 1 61 PHE QE . . 4.800 4.841 4.823 4.872 0.072 2 0 "[ . 1 . 2]" 1
1347 1 60 TRP HZ3 1 61 PHE QE . . 4.480 3.487 3.385 3.689 . 0 0 "[ . 1 . 2]" 1
1348 1 60 TRP HB3 1 61 PHE HA . . 4.290 4.353 4.300 4.376 0.086 3 0 "[ . 1 . 2]" 1
1349 1 60 TRP HZ3 1 61 PHE HA . . 4.790 3.444 3.241 3.743 . 0 0 "[ . 1 . 2]" 1
1350 1 60 TRP HZ3 1 61 PHE HB2 . . 5.030 3.869 3.683 4.286 . 0 0 "[ . 1 . 2]" 1
1351 1 60 TRP HE3 1 61 PHE H . . 3.530 2.462 2.368 2.687 . 0 0 "[ . 1 . 2]" 1
1352 1 60 TRP HB3 1 61 PHE H . . 3.800 2.395 2.379 2.414 . 0 0 "[ . 1 . 2]" 1
1353 1 60 TRP HZ3 1 61 PHE QD . . 4.160 3.228 3.073 3.550 . 0 0 "[ . 1 . 2]" 1
1354 1 60 TRP H 1 61 PHE HB2 . . 5.500 4.675 4.586 4.725 . 0 0 "[ . 1 . 2]" 1
1355 1 60 TRP HE3 1 61 PHE HA . . 3.990 2.759 2.595 2.952 . 0 0 "[ . 1 . 2]" 1
1356 1 60 TRP H 1 61 PHE H . . 3.430 2.764 2.703 2.811 . 0 0 "[ . 1 . 2]" 1
1357 1 60 TRP H 1 61 PHE HB3 . . 5.500 5.585 5.537 5.636 0.136 2 0 "[ . 1 . 2]" 1
1358 1 60 TRP HB2 1 61 PHE H . . 3.800 3.811 3.794 3.824 0.024 2 0 "[ . 1 . 2]" 1
1359 1 60 TRP HZ3 1 61 PHE HB3 . . 5.500 4.943 4.757 5.377 . 0 0 "[ . 1 . 2]" 1
1360 1 60 TRP HE3 1 61 PHE HB2 . . 3.750 2.626 2.473 2.944 . 0 0 "[ . 1 . 2]" 1
1361 1 60 TRP H 1 62 LEU H . . 4.710 3.939 3.835 4.154 . 0 0 "[ . 1 . 2]" 1
1362 1 60 TRP HA 1 62 LEU H . . 4.860 4.380 4.193 4.795 . 0 0 "[ . 1 . 2]" 1
1363 1 60 TRP HE3 1 62 LEU H . . 5.500 4.815 4.683 5.114 . 0 0 "[ . 1 . 2]" 1
1364 1 60 TRP HA 1 63 GLU QB . . 3.430 3.298 3.051 3.432 0.002 2 0 "[ . 1 . 2]" 1
1365 1 60 TRP HA 1 63 GLU H . . 4.160 3.851 3.737 4.014 . 0 0 "[ . 1 . 2]" 1
1366 1 60 TRP H 1 63 GLU H . . 5.240 4.863 4.777 4.939 . 0 0 "[ . 1 . 2]" 1
1367 1 60 TRP HZ2 1 64 MET ME . . 3.160 2.313 1.990 2.514 . 0 0 "[ . 1 . 2]" 1
1368 1 60 TRP HE1 1 64 MET ME . . 4.430 4.431 4.162 4.468 0.038 10 0 "[ . 1 . 2]" 1
1369 1 60 TRP HH2 1 64 MET ME . . 3.080 2.079 2.014 2.141 . 0 0 "[ . 1 . 2]" 1
1370 1 60 TRP HZ2 1 64 MET QB . . 4.800 4.416 4.311 4.525 . 0 0 "[ . 1 . 2]" 1
1371 1 60 TRP HA 1 64 MET H . . 4.840 4.141 4.042 4.199 . 0 0 "[ . 1 . 2]" 1
1372 1 60 TRP HZ2 1 64 MET QG . . 4.730 4.198 3.737 4.631 . 0 0 "[ . 1 . 2]" 1
1373 1 61 PHE HA 1 61 PHE QD . . 3.140 2.302 2.230 2.438 . 0 0 "[ . 1 . 2]" 1
1374 1 61 PHE H 1 61 PHE HB3 . . 3.180 3.105 3.074 3.133 . 0 0 "[ . 1 . 2]" 1
1375 1 61 PHE H 1 61 PHE QD . . 4.180 3.969 3.929 3.994 . 0 0 "[ . 1 . 2]" 1
1376 1 61 PHE HA 1 61 PHE QE . . 4.240 4.197 4.170 4.255 0.015 14 0 "[ . 1 . 2]" 1
1377 1 61 PHE H 1 61 PHE HB2 . . 2.970 2.107 2.093 2.121 . 0 0 "[ . 1 . 2]" 1
1378 1 61 PHE HA 1 62 LEU HA . . 5.090 4.809 4.780 4.851 . 0 0 "[ . 1 . 2]" 1
1379 1 61 PHE QD 1 62 LEU HA . . 5.360 4.625 4.408 4.687 . 0 0 "[ . 1 . 2]" 1
1380 1 61 PHE QD 1 62 LEU H . . 4.490 4.443 4.276 4.502 0.012 7 0 "[ . 1 . 2]" 1
1381 1 61 PHE HB2 1 62 LEU H . . 3.950 3.451 3.265 3.558 . 0 0 "[ . 1 . 2]" 1
1382 1 61 PHE H 1 62 LEU H . . 3.350 2.628 2.576 2.697 . 0 0 "[ . 1 . 2]" 1
1383 1 61 PHE HB3 1 62 LEU H . . 3.710 2.918 2.591 3.080 . 0 0 "[ . 1 . 2]" 1
1384 1 61 PHE H 1 62 LEU HA . . 5.500 5.227 5.173 5.284 . 0 0 "[ . 1 . 2]" 1
1385 1 61 PHE H 1 63 GLU H . . 4.620 4.529 4.389 4.599 . 0 0 "[ . 1 . 2]" 1
1386 1 61 PHE HB3 1 63 GLU H . . 5.500 5.445 5.226 5.557 0.057 12 0 "[ . 1 . 2]" 1
1387 1 61 PHE HA 1 63 GLU H . . 4.840 4.756 4.654 4.808 . 0 0 "[ . 1 . 2]" 1
1388 1 61 PHE QD 1 64 MET QG . . 5.200 4.034 3.583 4.437 . 0 0 "[ . 1 . 2]" 1
1389 1 61 PHE QE 1 64 MET QG . . 5.500 4.326 3.786 4.828 . 0 0 "[ . 1 . 2]" 1
1390 1 61 PHE QD 1 64 MET ME . . 4.500 4.475 4.211 4.537 0.037 8 0 "[ . 1 . 2]" 1
1391 1 61 PHE QE 1 64 MET ME . . 4.240 3.972 3.619 4.241 0.001 20 0 "[ . 1 . 2]" 1
1392 1 61 PHE QE 1 64 MET QB . . 5.150 4.313 4.167 4.532 . 0 0 "[ . 1 . 2]" 1
1393 1 61 PHE QD 1 64 MET QB . . 4.650 2.897 2.735 3.121 . 0 0 "[ . 1 . 2]" 1
1394 1 61 PHE HA 1 64 MET QB . . 3.180 2.243 2.177 2.490 . 0 0 "[ . 1 . 2]" 1
1395 1 61 PHE QD 1 64 MET H . . 4.650 4.571 4.456 4.671 0.021 12 0 "[ . 1 . 2]" 1
1396 1 61 PHE H 1 64 MET H . . 5.190 4.659 4.540 4.769 . 0 0 "[ . 1 . 2]" 1
1397 1 61 PHE QE 1 65 LEU QD . . 4.200 2.296 2.150 2.452 . 0 0 "[ . 1 . 2]" 1
1398 1 61 PHE QE 1 65 LEU HG . . 4.590 2.778 2.474 4.498 . 0 0 "[ . 1 . 2]" 1
1399 1 61 PHE QD 1 65 LEU QD . . 5.000 2.363 1.890 2.625 . 0 0 "[ . 1 . 2]" 1
1400 1 61 PHE QD 1 65 LEU H . . 4.560 3.268 3.113 3.592 . 0 0 "[ . 1 . 2]" 1
1401 1 61 PHE QE 1 65 LEU H . . 5.490 4.914 4.739 5.301 . 0 0 "[ . 1 . 2]" 1
1402 1 62 LEU HB3 1 62 LEU QD . . 3.200 2.110 2.032 2.229 . 0 0 "[ . 1 . 2]" 1
1403 1 62 LEU H 1 62 LEU QD . . 4.200 3.392 3.187 3.603 . 0 0 "[ . 1 . 2]" 1
1404 1 62 LEU H 1 62 LEU HG . . 4.500 3.646 2.676 4.550 0.050 6 0 "[ . 1 . 2]" 1
1405 1 62 LEU HA 1 62 LEU QD . . 3.350 2.224 1.952 2.690 . 0 0 "[ . 1 . 2]" 1
1406 1 62 LEU H 1 62 LEU HB2 . . 3.500 2.193 2.077 2.356 . 0 0 "[ . 1 . 2]" 1
1407 1 62 LEU H 1 62 LEU HB3 . . 3.800 3.200 2.662 3.542 . 0 0 "[ . 1 . 2]" 1
1408 1 62 LEU HB2 1 62 LEU QD . . 3.000 2.145 1.928 2.342 . 0 0 "[ . 1 . 2]" 1
1409 1 62 LEU HA 1 62 LEU HG . . 3.710 2.676 2.265 2.965 . 0 0 "[ . 1 . 2]" 1
1410 1 62 LEU QD 1 63 GLU H . . 4.630 3.852 3.490 3.970 . 0 0 "[ . 1 . 2]" 1
1411 1 62 LEU HG 1 63 GLU H . . 4.940 4.459 3.890 4.834 . 0 0 "[ . 1 . 2]" 1
1412 1 62 LEU HB2 1 63 GLU HA . . 5.500 5.052 4.549 5.557 0.057 14 0 "[ . 1 . 2]" 1
1413 1 62 LEU QD 1 63 GLU HG3 . . 5.140 4.427 3.413 5.235 0.095 20 0 "[ . 1 . 2]" 1
1414 1 62 LEU QD 1 63 GLU HG2 . . 5.050 4.627 3.511 5.206 0.156 17 0 "[ . 1 . 2]" 1
1415 1 62 LEU HB3 1 63 GLU H . . 3.800 2.656 2.231 3.113 . 0 0 "[ . 1 . 2]" 1
1416 1 62 LEU HB2 1 63 GLU H . . 3.800 2.947 2.419 3.622 . 0 0 "[ . 1 . 2]" 1
1417 1 62 LEU H 1 63 GLU HA . . 5.500 5.377 5.317 5.471 . 0 0 "[ . 1 . 2]" 1
1418 1 62 LEU HB3 1 63 GLU HA . . 5.500 3.961 3.807 4.138 . 0 0 "[ . 1 . 2]" 1
1419 1 62 LEU H 1 63 GLU H . . 3.390 2.812 2.734 2.930 . 0 0 "[ . 1 . 2]" 1
1420 1 62 LEU HA 1 64 MET H . . 4.600 4.300 4.179 4.392 . 0 0 "[ . 1 . 2]" 1
1421 1 62 LEU H 1 64 MET H . . 4.590 3.825 3.727 3.988 . 0 0 "[ . 1 . 2]" 1
1422 1 62 LEU HB2 1 64 MET H . . 5.500 4.986 4.627 5.509 0.009 13 0 "[ . 1 . 2]" 1
1423 1 62 LEU HB3 1 64 MET H . . 5.500 4.838 4.525 5.143 . 0 0 "[ . 1 . 2]" 1
1424 1 62 LEU H 1 65 LEU H . . 5.060 4.752 4.645 4.811 . 0 0 "[ . 1 . 2]" 1
1425 1 62 LEU QD 1 65 LEU H . . 5.500 5.191 5.071 5.408 . 0 0 "[ . 1 . 2]" 1
1426 1 62 LEU QD 1 65 LEU QD . . 5.350 4.034 3.658 4.819 . 0 0 "[ . 1 . 2]" 1
1427 1 62 LEU HA 1 65 LEU HG . . 5.210 4.908 4.144 5.188 . 0 0 "[ . 1 . 2]" 1
1428 1 62 LEU HA 1 65 LEU HB3 . . 5.500 5.023 4.361 5.294 . 0 0 "[ . 1 . 2]" 1
1429 1 62 LEU HA 1 65 LEU HB2 . . 4.800 3.375 2.868 3.600 . 0 0 "[ . 1 . 2]" 1
1430 1 62 LEU HA 1 65 LEU QD . . 4.500 3.503 3.069 3.970 . 0 0 "[ . 1 . 2]" 1
1431 1 62 LEU HA 1 65 LEU H . . 3.890 3.847 3.574 3.927 0.037 19 0 "[ . 1 . 2]" 1
1432 1 62 LEU QD 1 66 LYS QE . . 4.200 2.407 1.827 3.746 . 0 0 "[ . 1 . 2]" 1
1433 1 62 LEU QD 1 66 LYS QD . . 3.800 3.048 2.227 3.746 . 0 0 "[ . 1 . 2]" 1
1434 1 62 LEU HA 1 66 LYS H . . 4.390 4.037 3.920 4.163 . 0 0 "[ . 1 . 2]" 1
1435 1 62 LEU QD 1 66 LYS H . . 4.860 4.782 4.544 4.880 0.020 16 0 "[ . 1 . 2]" 1
1436 1 62 LEU QD 1 74 VAL QG . . 3.140 2.396 1.943 2.934 . 0 0 "[ . 1 . 2]" 1
1437 1 63 GLU HA 1 63 GLU QB . . 2.740 2.440 2.369 2.486 . 0 0 "[ . 1 . 2]" 1
1438 1 63 GLU H 1 63 GLU HG3 . . 4.500 2.779 2.340 3.237 . 0 0 "[ . 1 . 2]" 1
1439 1 63 GLU HA 1 63 GLU HG2 . . 3.540 2.275 2.154 2.447 . 0 0 "[ . 1 . 2]" 1
1440 1 63 GLU H 1 63 GLU QB . . 3.000 2.278 2.175 2.441 . 0 0 "[ . 1 . 2]" 1
1441 1 63 GLU H 1 63 GLU HG2 . . 4.500 3.409 3.119 3.669 . 0 0 "[ . 1 . 2]" 1
1442 1 63 GLU HA 1 63 GLU HG3 . . 3.490 3.241 3.094 3.484 . 0 0 "[ . 1 . 2]" 1
1443 1 63 GLU HG3 1 64 MET H . . 5.050 4.725 4.395 4.997 . 0 0 "[ . 1 . 2]" 1
1444 1 63 GLU H 1 64 MET QB . . 4.590 4.325 4.288 4.440 . 0 0 "[ . 1 . 2]" 1
1445 1 63 GLU H 1 64 MET H . . 3.240 2.566 2.529 2.676 . 0 0 "[ . 1 . 2]" 1
1446 1 63 GLU HG2 1 64 MET H . . 4.970 4.971 4.858 5.045 0.075 18 0 "[ . 1 . 2]" 1
1447 1 63 GLU H 1 65 LEU H . . 4.700 4.479 4.282 4.530 . 0 0 "[ . 1 . 2]" 1
1448 1 63 GLU HA 1 65 LEU H . . 4.760 4.696 4.402 4.774 0.014 18 0 "[ . 1 . 2]" 1
1449 1 63 GLU H 1 66 LYS QE . . 5.500 4.971 3.509 5.510 0.010 16 0 "[ . 1 . 2]" 1
1450 1 63 GLU HA 1 66 LYS HG2 . . 5.160 5.030 4.872 5.165 0.005 15 0 "[ . 1 . 2]" 1
1451 1 63 GLU HA 1 66 LYS QD . . 4.000 3.077 2.520 4.032 0.032 11 0 "[ . 1 . 2]" 1
1452 1 63 GLU HA 1 66 LYS HG3 . . 4.830 4.067 3.633 4.349 . 0 0 "[ . 1 . 2]" 1
1453 1 63 GLU HA 1 66 LYS QB . . 3.120 2.343 2.204 2.941 . 0 0 "[ . 1 . 2]" 1
1454 1 63 GLU HA 1 66 LYS QE . . 4.780 3.996 2.563 4.802 0.022 2 0 "[ . 1 . 2]" 1
1455 1 63 GLU HA 1 66 LYS H . . 3.920 3.537 3.382 3.677 . 0 0 "[ . 1 . 2]" 1
1456 1 63 GLU HA 1 67 ALA H . . 4.180 3.818 3.642 4.079 . 0 0 "[ . 1 . 2]" 1
1457 1 64 MET H 1 64 MET QG . . 4.500 3.971 3.948 3.997 . 0 0 "[ . 1 . 2]" 1
1458 1 64 MET H 1 64 MET QB . . 3.010 2.249 2.236 2.255 . 0 0 "[ . 1 . 2]" 1
1459 1 64 MET QG 1 65 LEU QD . . 4.800 3.835 3.022 4.271 . 0 0 "[ . 1 . 2]" 1
1460 1 64 MET QB 1 65 LEU H . . 3.470 2.348 2.306 2.573 . 0 0 "[ . 1 . 2]" 1
1461 1 64 MET QG 1 65 LEU H . . 4.800 3.497 3.297 3.736 . 0 0 "[ . 1 . 2]" 1
1462 1 64 MET HA 1 65 LEU H . . 3.570 3.563 3.542 3.566 . 0 0 "[ . 1 . 2]" 1
1463 1 64 MET H 1 65 LEU H . . 3.280 2.721 2.607 2.788 . 0 0 "[ . 1 . 2]" 1
1464 1 64 MET H 1 66 LYS H . . 4.540 3.906 3.721 4.216 . 0 0 "[ . 1 . 2]" 1
1465 1 64 MET HA 1 66 LYS H . . 4.870 4.515 4.290 4.694 . 0 0 "[ . 1 . 2]" 1
1466 1 64 MET HA 1 67 ALA MB . . 3.080 2.801 2.319 3.004 . 0 0 "[ . 1 . 2]" 1
1467 1 64 MET H 1 67 ALA H . . 4.820 4.556 4.467 4.692 . 0 0 "[ . 1 . 2]" 1
1468 1 64 MET HA 1 68 LYS QD . . 5.500 5.377 4.878 5.512 0.012 8 0 "[ . 1 . 2]" 1
1469 1 65 LEU HA 1 65 LEU QD . . 3.800 2.126 1.966 2.350 . 0 0 "[ . 1 . 2]" 1
1470 1 65 LEU H 1 65 LEU QD . . 4.200 3.148 2.169 3.270 . 0 0 "[ . 1 . 2]" 1
1471 1 65 LEU H 1 65 LEU HG . . 3.850 2.654 2.493 3.858 0.008 20 0 "[ . 1 . 2]" 1
1472 1 65 LEU HA 1 65 LEU HG . . 3.850 2.873 2.636 3.668 . 0 0 "[ . 1 . 2]" 1
1473 1 65 LEU H 1 66 LYS HG3 . . 4.800 4.677 4.247 4.830 0.030 3 0 "[ . 1 . 2]" 1
1474 1 65 LEU HB3 1 66 LYS H . . 4.800 3.560 3.038 3.718 . 0 0 "[ . 1 . 2]" 1
1475 1 65 LEU QD 1 66 LYS H . . 4.800 4.115 3.883 4.222 . 0 0 "[ . 1 . 2]" 1
1476 1 65 LEU HB2 1 66 LYS H . . 4.800 2.744 2.634 2.946 . 0 0 "[ . 1 . 2]" 1
1477 1 65 LEU H 1 66 LYS H . . 3.300 2.578 2.501 2.736 . 0 0 "[ . 1 . 2]" 1
1478 1 65 LEU HA 1 66 LYS HA . . 4.840 4.775 4.752 4.797 . 0 0 "[ . 1 . 2]" 1
1479 1 65 LEU H 1 66 LYS HA . . 5.320 5.201 5.139 5.331 0.011 20 0 "[ . 1 . 2]" 1
1480 1 65 LEU HG 1 66 LYS H . . 5.270 4.596 4.499 4.937 . 0 0 "[ . 1 . 2]" 1
1481 1 65 LEU QD 1 68 LYS HG2 . . 4.990 4.693 4.415 4.876 . 0 0 "[ . 1 . 2]" 1
1482 1 65 LEU QD 1 68 LYS HG3 . . 4.910 4.758 4.533 4.893 . 0 0 "[ . 1 . 2]" 1
1483 1 65 LEU HA 1 68 LYS HB3 . . 5.500 5.418 5.040 5.525 0.025 16 0 "[ . 1 . 2]" 1
1484 1 65 LEU QD 1 68 LYS H . . 5.360 4.965 4.658 5.075 . 0 0 "[ . 1 . 2]" 1
1485 1 65 LEU HA 1 68 LYS HG2 . . 4.270 3.683 3.370 4.275 0.005 20 0 "[ . 1 . 2]" 1
1486 1 65 LEU HA 1 68 LYS H . . 4.120 3.658 3.564 3.729 . 0 0 "[ . 1 . 2]" 1
1487 1 65 LEU QD 1 68 LYS HB2 . . 4.680 4.316 4.089 4.475 . 0 0 "[ . 1 . 2]" 1
1488 1 65 LEU HA 1 68 LYS HB2 . . 5.350 3.768 3.351 3.964 . 0 0 "[ . 1 . 2]" 1
1489 1 65 LEU QD 1 69 GLY H . . 5.500 5.138 4.848 5.340 . 0 0 "[ . 1 . 2]" 1
1490 1 65 LEU HA 1 69 GLY H . . 5.250 4.370 4.231 4.559 . 0 0 "[ . 1 . 2]" 1
1491 1 65 LEU HA 1 70 ILE H . . 3.960 3.860 3.682 3.970 0.010 14 0 "[ . 1 . 2]" 1
1492 1 65 LEU HA 1 70 ILE MG . . 4.870 4.700 4.599 4.789 . 0 0 "[ . 1 . 2]" 1
1493 1 65 LEU QD 1 70 ILE MG . . 3.200 2.601 2.428 2.723 . 0 0 "[ . 1 . 2]" 1
1494 1 65 LEU QD 1 70 ILE H . . 4.260 3.943 3.461 4.125 . 0 0 "[ . 1 . 2]" 1
1495 1 65 LEU HA 1 70 ILE HB . . 3.860 3.507 3.341 3.635 . 0 0 "[ . 1 . 2]" 1
1496 1 65 LEU QD 1 70 ILE HG13 . . 4.520 3.251 3.002 3.503 . 0 0 "[ . 1 . 2]" 1
1497 1 65 LEU QD 1 70 ILE HB . . 3.410 2.182 1.889 2.441 . 0 0 "[ . 1 . 2]" 1
1498 1 65 LEU QD 1 70 ILE MD . . 2.930 2.046 1.862 2.469 . 0 0 "[ . 1 . 2]" 1
1499 1 65 LEU HB2 1 70 ILE H . . 5.340 5.058 4.877 5.427 0.087 20 0 "[ . 1 . 2]" 1
1500 1 65 LEU HA 1 70 ILE MD . . 3.810 3.228 2.959 3.479 . 0 0 "[ . 1 . 2]" 1
1501 1 65 LEU QD 1 70 ILE HG12 . . 4.470 4.088 3.880 4.267 . 0 0 "[ . 1 . 2]" 1
1502 1 65 LEU HA 1 70 ILE HG12 . . 5.190 4.959 4.698 5.146 . 0 0 "[ . 1 . 2]" 1
1503 1 65 LEU HB3 1 70 ILE H . . 4.380 3.651 3.483 3.957 . 0 0 "[ . 1 . 2]" 1
1504 1 65 LEU HB3 1 72 PHE QD . . 5.000 2.076 1.966 2.762 . 0 0 "[ . 1 . 2]" 1
1505 1 65 LEU HB2 1 72 PHE QD . . 5.000 3.068 2.896 3.941 . 0 0 "[ . 1 . 2]" 1
1506 1 65 LEU HA 1 72 PHE QD . . 5.000 4.546 4.454 5.023 0.023 20 0 "[ . 1 . 2]" 1
1507 1 65 LEU QD 1 72 PHE HB3 . . 4.950 2.220 1.883 2.540 . 0 0 "[ . 1 . 2]" 1
1508 1 65 LEU QD 1 72 PHE HB2 . . 4.710 2.695 2.532 2.999 . 0 0 "[ . 1 . 2]" 1
1509 1 65 LEU HB2 1 72 PHE HZ . . 4.800 3.835 3.675 4.213 . 0 0 "[ . 1 . 2]" 1
1510 1 65 LEU QD 1 72 PHE QD . . 3.690 2.457 2.314 2.582 . 0 0 "[ . 1 . 2]" 1
1511 1 65 LEU HB3 1 72 PHE HZ . . 4.800 4.735 4.034 4.823 0.023 13 0 "[ . 1 . 2]" 1
1512 1 65 LEU QD 1 72 PHE HZ . . 4.670 4.106 3.869 4.669 . 0 0 "[ . 1 . 2]" 1
1513 1 66 LYS HA 1 66 LYS QE . . 5.040 4.562 4.311 4.842 . 0 0 "[ . 1 . 2]" 1
1514 1 66 LYS QE 1 66 LYS HG2 . . 3.160 2.707 2.232 3.215 0.055 11 0 "[ . 1 . 2]" 1
1515 1 66 LYS H 1 66 LYS QE . . 5.500 4.507 3.755 5.148 . 0 0 "[ . 1 . 2]" 1
1516 1 66 LYS H 1 66 LYS HG2 . . 3.990 3.779 3.391 3.991 0.001 18 0 "[ . 1 . 2]" 1
1517 1 66 LYS H 1 66 LYS HG3 . . 3.080 2.606 1.983 2.851 . 0 0 "[ . 1 . 2]" 1
1518 1 66 LYS HA 1 66 LYS QD . . 4.110 4.001 3.828 4.133 0.023 13 0 "[ . 1 . 2]" 1
1519 1 66 LYS H 1 66 LYS QD . . 4.650 3.870 3.442 4.425 . 0 0 "[ . 1 . 2]" 1
1520 1 66 LYS QE 1 66 LYS HG3 . . 3.470 2.650 2.007 3.486 0.016 13 0 "[ . 1 . 2]" 1
1521 1 66 LYS QD 1 66 LYS HG2 . . 2.610 2.331 2.141 2.506 . 0 0 "[ . 1 . 2]" 1
1522 1 66 LYS HA 1 66 LYS HG2 . . 2.910 2.509 2.292 2.772 . 0 0 "[ . 1 . 2]" 1
1523 1 66 LYS H 1 66 LYS QB . . 3.030 2.281 2.195 2.545 . 0 0 "[ . 1 . 2]" 1
1524 1 66 LYS HA 1 66 LYS HG3 . . 3.060 2.860 2.651 3.087 0.027 14 0 "[ . 1 . 2]" 1
1525 1 66 LYS QB 1 66 LYS QE . . 3.720 2.968 2.049 3.672 . 0 0 "[ . 1 . 2]" 1
1526 1 66 LYS QB 1 66 LYS QD . . 2.810 2.134 2.066 2.227 . 0 0 "[ . 1 . 2]" 1
1527 1 66 LYS H 1 67 ALA MB . . 4.380 4.201 4.111 4.287 . 0 0 "[ . 1 . 2]" 1
1528 1 66 LYS H 1 67 ALA H . . 3.350 2.585 2.531 2.643 . 0 0 "[ . 1 . 2]" 1
1529 1 66 LYS QB 1 67 ALA HA . . 4.110 3.886 3.871 3.897 . 0 0 "[ . 1 . 2]" 1
1530 1 66 LYS QB 1 67 ALA H . . 3.060 2.740 2.695 2.766 . 0 0 "[ . 1 . 2]" 1
1531 1 66 LYS H 1 68 LYS H . . 4.860 4.277 4.119 4.414 . 0 0 "[ . 1 . 2]" 1
1532 1 66 LYS HA 1 69 GLY HA2 . . 4.960 3.121 3.022 3.362 . 0 0 "[ . 1 . 2]" 1
1533 1 66 LYS QB 1 69 GLY H . . 4.890 4.511 4.415 4.602 . 0 0 "[ . 1 . 2]" 1
1534 1 66 LYS H 1 69 GLY H . . 4.980 4.549 4.500 4.619 . 0 0 "[ . 1 . 2]" 1
1535 1 66 LYS HA 1 69 GLY H . . 3.750 3.031 2.894 3.124 . 0 0 "[ . 1 . 2]" 1
1536 1 66 LYS HA 1 70 ILE H . . 4.200 3.666 3.487 3.868 . 0 0 "[ . 1 . 2]" 1
1537 1 66 LYS HG2 1 72 PHE HZ . . 3.750 3.617 3.147 3.781 0.031 20 0 "[ . 1 . 2]" 1
1538 1 66 LYS H 1 72 PHE HZ . . 4.630 4.351 4.093 4.622 . 0 0 "[ . 1 . 2]" 1
1539 1 66 LYS QD 1 72 PHE HZ . . 3.920 3.468 2.591 3.939 0.019 11 0 "[ . 1 . 2]" 1
1540 1 66 LYS HG3 1 72 PHE HZ . . 3.730 2.536 2.038 3.133 . 0 0 "[ . 1 . 2]" 1
1541 1 67 ALA H 1 67 ALA MB . . 2.530 2.151 2.025 2.228 . 0 0 "[ . 1 . 2]" 1
1542 1 67 ALA H 1 68 LYS H . . 3.360 2.753 2.649 2.821 . 0 0 "[ . 1 . 2]" 1
1543 1 67 ALA HA 1 68 LYS HG2 . . 5.360 5.130 5.033 5.251 . 0 0 "[ . 1 . 2]" 1
1544 1 67 ALA MB 1 68 LYS H . . 3.080 2.656 2.440 2.800 . 0 0 "[ . 1 . 2]" 1
1545 1 67 ALA H 1 68 LYS HA . . 5.410 5.359 5.283 5.402 . 0 0 "[ . 1 . 2]" 1
1546 1 67 ALA MB 1 68 LYS HG2 . . 3.550 3.022 2.816 3.214 . 0 0 "[ . 1 . 2]" 1
1547 1 67 ALA H 1 69 GLY H . . 4.050 3.840 3.752 3.925 . 0 0 "[ . 1 . 2]" 1
1548 1 67 ALA HA 1 69 GLY H . . 4.530 4.350 4.116 4.511 . 0 0 "[ . 1 . 2]" 1
1549 1 68 LYS HB3 1 68 LYS HE2 . . 4.300 4.242 3.535 4.802 0.502 20 1 "[ . 1 . +]" 1
1550 1 68 LYS HB2 1 68 LYS HE2 . . 5.050 4.869 4.386 5.294 0.244 8 0 "[ . 1 . 2]" 1
1551 1 68 LYS HB2 1 68 LYS HE3 . . 5.500 4.354 3.635 5.492 . 0 0 "[ . 1 . 2]" 1
1552 1 68 LYS H 1 68 LYS HE3 . . 5.170 5.245 4.832 5.374 0.204 17 0 "[ . 1 . 2]" 1
1553 1 68 LYS HB3 1 68 LYS HE3 . . 5.500 3.404 2.222 4.704 . 0 0 "[ . 1 . 2]" 1
1554 1 68 LYS HE2 1 68 LYS HG3 . . 3.550 2.820 2.292 3.431 . 0 0 "[ . 1 . 2]" 1
1555 1 68 LYS H 1 68 LYS QD . . 3.790 3.131 2.804 3.486 . 0 0 "[ . 1 . 2]" 1
1556 1 68 LYS H 1 68 LYS HB2 . . 3.400 2.664 2.490 2.773 . 0 0 "[ . 1 . 2]" 1
1557 1 68 LYS H 1 68 LYS HG2 . . 3.580 2.187 2.044 2.493 . 0 0 "[ . 1 . 2]" 1
1558 1 68 LYS HA 1 68 LYS HG3 . . 4.040 3.824 3.746 3.873 . 0 0 "[ . 1 . 2]" 1
1559 1 68 LYS HE3 1 68 LYS HG2 . . 3.570 3.442 2.862 3.843 0.273 2 0 "[ . 1 . 2]" 1
1560 1 68 LYS HA 1 68 LYS QD . . 2.940 2.177 2.035 2.332 . 0 0 "[ . 1 . 2]" 1
1561 1 68 LYS H 1 68 LYS HB3 . . 3.640 3.653 3.623 3.686 0.046 8 0 "[ . 1 . 2]" 1
1562 1 68 LYS HA 1 68 LYS HE3 . . 5.070 4.342 3.459 4.867 . 0 0 "[ . 1 . 2]" 1
1563 1 68 LYS HB2 1 68 LYS QD . . 3.760 3.342 3.304 3.471 . 0 0 "[ . 1 . 2]" 1
1564 1 68 LYS HB3 1 68 LYS QD . . 3.620 2.496 2.313 2.986 . 0 0 "[ . 1 . 2]" 1
1565 1 68 LYS HE3 1 68 LYS HG3 . . 3.810 2.450 2.048 3.612 . 0 0 "[ . 1 . 2]" 1
1566 1 68 LYS HE2 1 68 LYS HG2 . . 4.130 3.303 2.660 4.160 0.030 15 0 "[ . 1 . 2]" 1
1567 1 68 LYS HA 1 68 LYS HE2 . . 5.010 4.691 4.047 4.933 . 0 0 "[ . 1 . 2]" 1
1568 1 68 LYS HA 1 68 LYS HG2 . . 3.630 3.313 3.151 3.436 . 0 0 "[ . 1 . 2]" 1
1569 1 68 LYS H 1 68 LYS HE2 . . 5.360 5.151 4.544 5.398 0.038 1 0 "[ . 1 . 2]" 1
1570 1 68 LYS H 1 68 LYS HG3 . . 3.860 3.695 3.576 3.871 0.011 20 0 "[ . 1 . 2]" 1
1571 1 68 LYS HG2 1 69 GLY H . . 4.530 4.094 3.897 4.419 . 0 0 "[ . 1 . 2]" 1
1572 1 68 LYS QD 1 69 GLY H . . 5.020 4.633 4.484 4.761 . 0 0 "[ . 1 . 2]" 1
1573 1 68 LYS H 1 69 GLY HA3 . . 5.180 4.941 4.850 5.039 . 0 0 "[ . 1 . 2]" 1
1574 1 68 LYS H 1 69 GLY H . . 3.070 2.248 2.143 2.362 . 0 0 "[ . 1 . 2]" 1
1575 1 68 LYS H 1 69 GLY HA2 . . 5.020 4.560 4.453 4.673 . 0 0 "[ . 1 . 2]" 1
1576 1 68 LYS HB2 1 69 GLY H . . 3.400 3.053 2.929 3.284 . 0 0 "[ . 1 . 2]" 1
1577 1 68 LYS HB3 1 69 GLY H . . 4.370 4.134 4.042 4.307 . 0 0 "[ . 1 . 2]" 1
1578 1 68 LYS HA 1 69 GLY HA3 . . 4.560 4.510 4.500 4.515 . 0 0 "[ . 1 . 2]" 1
1579 1 68 LYS H 1 70 ILE HB . . 5.500 5.554 5.521 5.587 0.087 13 0 "[ . 1 . 2]" 1
1580 1 68 LYS HB3 1 70 ILE HG13 . . 3.750 3.414 2.995 3.642 . 0 0 "[ . 1 . 2]" 1
1581 1 68 LYS HB2 1 70 ILE H . . 4.240 3.209 2.941 3.497 . 0 0 "[ . 1 . 2]" 1
1582 1 68 LYS H 1 70 ILE HG12 . . 5.500 5.367 4.919 5.550 0.050 16 0 "[ . 1 . 2]" 1
1583 1 68 LYS H 1 70 ILE H . . 4.430 3.879 3.742 4.092 . 0 0 "[ . 1 . 2]" 1
1584 1 68 LYS H 1 70 ILE HG13 . . 5.500 3.889 3.655 3.988 . 0 0 "[ . 1 . 2]" 1
1585 1 68 LYS HB3 1 70 ILE H . . 4.980 4.640 4.414 4.986 0.006 1 0 "[ . 1 . 2]" 1
1586 1 68 LYS HA 1 70 ILE H . . 5.270 5.090 4.908 5.268 . 0 0 "[ . 1 . 2]" 1
1587 1 68 LYS HB3 1 70 ILE HG12 . . 3.890 3.728 3.411 3.919 0.029 1 0 "[ . 1 . 2]" 1
1588 1 68 LYS HB2 1 70 ILE HG13 . . 3.630 1.977 1.963 1.989 . 0 0 "[ . 1 . 2]" 1
1589 1 69 GLY H 1 69 GLY HA2 . . 2.860 2.338 2.314 2.360 . 0 0 "[ . 1 . 2]" 1
1590 1 69 GLY H 1 70 ILE HG12 . . 5.500 4.688 4.501 4.910 . 0 0 "[ . 1 . 2]" 1
1591 1 69 GLY HA2 1 70 ILE H . . 3.520 2.867 2.742 2.983 . 0 0 "[ . 1 . 2]" 1
1592 1 69 GLY H 1 70 ILE HB . . 5.500 4.818 4.715 5.045 . 0 0 "[ . 1 . 2]" 1
1593 1 69 GLY H 1 70 ILE HG13 . . 5.500 3.501 3.417 3.603 . 0 0 "[ . 1 . 2]" 1
1594 1 69 GLY H 1 70 ILE HA . . 5.410 4.974 4.892 5.070 . 0 0 "[ . 1 . 2]" 1
1595 1 69 GLY H 1 70 ILE H . . 3.080 2.378 2.245 2.548 . 0 0 "[ . 1 . 2]" 1
1596 1 70 ILE HB 1 70 ILE MD . . 3.200 2.473 2.419 2.521 . 0 0 "[ . 1 . 2]" 1
1597 1 70 ILE HA 1 70 ILE MD . . 4.230 3.789 3.759 3.816 . 0 0 "[ . 1 . 2]" 1
1598 1 70 ILE HA 1 70 ILE HG13 . . 4.200 3.311 3.193 3.438 . 0 0 "[ . 1 . 2]" 1
1599 1 70 ILE MD 1 70 ILE MG . . 2.800 1.955 1.885 2.035 . 0 0 "[ . 1 . 2]" 1
1600 1 70 ILE H 1 70 ILE HB . . 3.200 2.657 2.594 2.727 . 0 0 "[ . 1 . 2]" 1
1601 1 70 ILE H 1 70 ILE MG . . 3.860 3.802 3.769 3.842 . 0 0 "[ . 1 . 2]" 1
1602 1 70 ILE H 1 70 ILE HG12 . . 3.380 3.155 2.883 3.392 0.012 9 0 "[ . 1 . 2]" 1
1603 1 70 ILE H 1 70 ILE MD . . 3.950 3.770 3.675 3.880 . 0 0 "[ . 1 . 2]" 1
1604 1 70 ILE HA 1 70 ILE HG12 . . 4.200 2.565 2.524 2.606 . 0 0 "[ . 1 . 2]" 1
1605 1 70 ILE H 1 70 ILE HG13 . . 3.120 2.185 2.010 2.361 . 0 0 "[ . 1 . 2]" 1
1606 1 70 ILE HA 1 70 ILE MG . . 3.430 2.329 2.295 2.373 . 0 0 "[ . 1 . 2]" 1
1607 1 70 ILE HA 1 71 PRO HD2 . . 3.930 2.093 2.074 2.106 . 0 0 "[ . 1 . 2]" 1
1608 1 70 ILE MD 1 71 PRO HD3 . . 5.350 5.440 5.404 5.473 0.123 12 0 "[ . 1 . 2]" 1
1609 1 70 ILE MD 1 71 PRO HD2 . . 5.200 4.382 4.329 4.428 . 0 0 "[ . 1 . 2]" 1
1610 1 70 ILE H 1 71 PRO HD3 . . 5.160 4.826 4.800 4.841 . 0 0 "[ . 1 . 2]" 1
1611 1 70 ILE HA 1 71 PRO HG2 . . 4.320 4.268 4.253 4.278 . 0 0 "[ . 1 . 2]" 1
1612 1 70 ILE MG 1 71 PRO HD3 . . 3.970 3.282 3.248 3.326 . 0 0 "[ . 1 . 2]" 1
1613 1 70 ILE MG 1 71 PRO HA . . 4.530 4.222 4.138 4.316 . 0 0 "[ . 1 . 2]" 1
1614 1 70 ILE MG 1 71 PRO HD2 . . 3.700 1.947 1.902 2.003 . 0 0 "[ . 1 . 2]" 1
1615 1 70 ILE H 1 71 PRO HD2 . . 5.370 4.827 4.811 4.835 . 0 0 "[ . 1 . 2]" 1
1616 1 70 ILE MG 1 72 PHE H . . 4.560 4.457 4.315 4.571 0.011 17 0 "[ . 1 . 2]" 1
1617 1 70 ILE MG 1 72 PHE QD . . 4.650 3.927 3.499 4.496 . 0 0 "[ . 1 . 2]" 1
1618 1 70 ILE HB 1 72 PHE QD . . 4.800 3.200 2.896 4.128 . 0 0 "[ . 1 . 2]" 1
1619 1 70 ILE MG 1 72 PHE HA . . 4.730 4.515 4.404 4.658 . 0 0 "[ . 1 . 2]" 1
1620 1 71 PRO HA 1 72 PHE HA . . 5.090 4.391 4.382 4.407 . 0 0 "[ . 1 . 2]" 1
1621 1 71 PRO HB2 1 72 PHE H . . 4.280 3.977 3.852 4.059 . 0 0 "[ . 1 . 2]" 1
1622 1 71 PRO HG2 1 72 PHE H . . 5.110 5.042 5.033 5.047 . 0 0 "[ . 1 . 2]" 1
1623 1 71 PRO HB3 1 72 PHE H . . 4.560 4.320 4.226 4.384 . 0 0 "[ . 1 . 2]" 1
1624 1 71 PRO HA 1 72 PHE H . . 2.670 2.210 2.171 2.245 . 0 0 "[ . 1 . 2]" 1
1625 1 71 PRO HA 1 72 PHE QD . . 4.330 4.238 3.467 4.351 0.021 3 0 "[ . 1 . 2]" 1
1626 1 72 PHE H 1 72 PHE QD . . 3.360 2.882 1.951 3.118 . 0 0 "[ . 1 . 2]" 1
1627 1 72 PHE H 1 72 PHE HB2 . . 4.080 3.840 3.765 3.888 . 0 0 "[ . 1 . 2]" 1
1628 1 72 PHE HA 1 72 PHE QD . . 3.760 3.705 3.695 3.718 . 0 0 "[ . 1 . 2]" 1
1629 1 72 PHE H 1 73 THR H . . 4.700 4.433 4.423 4.455 . 0 0 "[ . 1 . 2]" 1
1630 1 72 PHE HB2 1 73 THR H . . 3.860 2.232 2.168 2.345 . 0 0 "[ . 1 . 2]" 1
1631 1 72 PHE HA 1 73 THR H . . 3.260 2.529 2.476 2.540 . 0 0 "[ . 1 . 2]" 1
1632 1 72 PHE QD 1 73 THR HB . . 5.500 4.963 4.767 5.503 0.003 20 0 "[ . 1 . 2]" 1
1633 1 72 PHE QD 1 73 THR H . . 3.910 2.674 2.432 2.985 . 0 0 "[ . 1 . 2]" 1
1634 1 72 PHE HA 1 73 THR HB . . 5.330 4.828 4.489 5.091 . 0 0 "[ . 1 . 2]" 1
1635 1 72 PHE QD 1 73 THR HA . . 3.920 3.042 2.861 3.933 0.013 20 0 "[ . 1 . 2]" 1
1636 1 72 PHE QD 1 73 THR MG . . 5.500 4.672 4.546 5.269 . 0 0 "[ . 1 . 2]" 1
1637 1 72 PHE HB3 1 73 THR H . . 3.710 3.694 3.611 3.782 0.072 5 0 "[ . 1 . 2]" 1
1638 1 72 PHE QD 1 74 VAL H . . 5.000 3.555 3.139 3.984 . 0 0 "[ . 1 . 2]" 1
1639 1 72 PHE QE 1 74 VAL QG . . 4.020 2.520 1.933 3.733 . 0 0 "[ . 1 . 2]" 1
1640 1 73 THR HA 1 73 THR MG . . 3.250 2.187 2.032 2.395 . 0 0 "[ . 1 . 2]" 1
1641 1 73 THR H 1 73 THR HB . . 3.730 3.084 2.916 3.245 . 0 0 "[ . 1 . 2]" 1
1642 1 73 THR H 1 73 THR MG . . 4.040 4.004 3.947 4.031 . 0 0 "[ . 1 . 2]" 1
1643 1 73 THR HA 1 74 VAL H . . 3.060 2.172 2.141 2.239 . 0 0 "[ . 1 . 2]" 1
1644 1 73 THR HA 1 74 VAL QG . . 4.090 3.512 3.312 3.637 . 0 0 "[ . 1 . 2]" 1
1645 1 73 THR HB 1 74 VAL H . . 4.490 3.945 3.486 4.316 . 0 0 "[ . 1 . 2]" 1
1646 1 73 THR MG 1 74 VAL H . . 3.140 2.680 2.210 3.043 . 0 0 "[ . 1 . 2]" 1
1647 1 73 THR H 1 74 VAL QG . . 5.020 4.515 4.094 5.023 0.003 15 0 "[ . 1 . 2]" 1
1648 1 73 THR HB 1 75 TYR QD . . 4.200 3.769 3.210 4.227 0.027 6 0 "[ . 1 . 2]" 1
1649 1 73 THR H 1 75 TYR QE . . 5.500 4.755 4.266 5.256 . 0 0 "[ . 1 . 2]" 1
1650 1 73 THR HB 1 75 TYR QE . . 3.820 2.272 1.990 3.032 . 0 0 "[ . 1 . 2]" 1
1651 1 73 THR MG 1 75 TYR QD . . 3.700 3.525 2.727 3.730 0.030 18 0 "[ . 1 . 2]" 1
1652 1 73 THR MG 1 75 TYR HA . . 5.160 4.523 4.050 4.896 . 0 0 "[ . 1 . 2]" 1
1653 1 73 THR MG 1 75 TYR QE . . 3.760 2.657 2.099 2.946 . 0 0 "[ . 1 . 2]" 1
1654 1 74 VAL H 1 74 VAL HB . . 3.560 2.776 2.584 3.135 . 0 0 "[ . 1 . 2]" 1
1655 1 74 VAL H 1 74 VAL QG . . 3.380 2.152 1.886 2.460 . 0 0 "[ . 1 . 2]" 1
1656 1 74 VAL HB 1 75 TYR H . . 4.810 4.077 3.865 4.269 . 0 0 "[ . 1 . 2]" 1
1657 1 74 VAL QG 1 75 TYR H . . 3.370 2.495 2.147 2.846 . 0 0 "[ . 1 . 2]" 1
1658 1 74 VAL HA 1 75 TYR H . . 3.360 2.168 2.140 2.216 . 0 0 "[ . 1 . 2]" 1
1659 1 74 VAL H 1 75 TYR H . . 5.150 4.463 4.319 4.578 . 0 0 "[ . 1 . 2]" 1
1660 1 74 VAL QG 1 75 TYR HA . . 4.640 3.643 3.309 3.979 . 0 0 "[ . 1 . 2]" 1
1661 1 74 VAL H 1 75 TYR QD . . 5.200 4.823 4.104 5.236 0.036 18 0 "[ . 1 . 2]" 1
1662 1 75 TYR HA 1 75 TYR QD . . 4.320 2.867 2.509 3.136 . 0 0 "[ . 1 . 2]" 1
1663 1 75 TYR H 1 75 TYR HB2 . . 4.170 2.581 2.410 2.759 . 0 0 "[ . 1 . 2]" 1
1664 1 75 TYR H 1 75 TYR QD . . 3.850 2.944 2.371 3.307 . 0 0 "[ . 1 . 2]" 1
1665 1 75 TYR HA 1 76 VAL H . . 3.200 2.297 2.220 2.413 . 0 0 "[ . 1 . 2]" 1
1666 1 75 TYR HA 1 76 VAL QG . . 4.110 3.400 3.077 3.943 . 0 0 "[ . 1 . 2]" 1
1667 1 75 TYR HB2 1 76 VAL H . . 4.670 3.860 3.448 4.099 . 0 0 "[ . 1 . 2]" 1
1668 1 75 TYR QD 1 76 VAL H . . 4.430 3.782 3.609 4.116 . 0 0 "[ . 1 . 2]" 1
1669 1 75 TYR HB3 1 76 VAL H . . 4.390 2.716 2.454 2.950 . 0 0 "[ . 1 . 2]" 1
1670 1 76 VAL H 1 76 VAL QG . . 3.800 2.282 2.042 2.954 . 0 0 "[ . 1 . 2]" 1
1671 1 76 VAL HA 1 77 GLU HA . . 5.040 4.314 4.295 4.347 . 0 0 "[ . 1 . 2]" 1
1672 1 76 VAL HA 1 77 GLU H . . 3.300 2.251 2.159 2.401 . 0 0 "[ . 1 . 2]" 1
1673 1 76 VAL QG 1 77 GLU H . . 3.830 2.670 1.929 3.487 . 0 0 "[ . 1 . 2]" 1
1674 1 76 VAL HB 1 77 GLU H . . 4.180 3.473 2.410 4.146 . 0 0 "[ . 1 . 2]" 1
1675 1 76 VAL H 1 77 GLU HA . . 5.000 4.956 4.769 5.044 0.044 20 0 "[ . 1 . 2]" 1
1676 1 77 GLU H 1 77 GLU HG2 . . 5.200 4.362 2.378 4.642 . 0 0 "[ . 1 . 2]" 1
1677 1 77 GLU H 1 77 GLU HG3 . . 5.200 4.269 3.551 4.481 . 0 0 "[ . 1 . 2]" 1
1678 1 77 GLU H 1 77 GLU QB . . 3.530 2.198 2.061 2.371 . 0 0 "[ . 1 . 2]" 1
1679 1 77 GLU H 1 78 GLU HA . . 5.500 5.501 5.219 5.560 0.060 3 0 "[ . 1 . 2]" 1
1680 1 77 GLU QB 1 78 GLU H . . 4.500 3.817 2.994 3.989 . 0 0 "[ . 1 . 2]" 1
1681 1 77 GLU HA 1 78 GLU H . . 3.150 2.166 2.139 2.255 . 0 0 "[ . 1 . 2]" 1
1682 1 77 GLU HG2 1 78 GLU H . . 5.200 3.796 2.316 5.025 . 0 0 "[ . 1 . 2]" 1
1683 1 77 GLU H 1 78 GLU H . . 4.750 4.398 4.173 4.628 . 0 0 "[ . 1 . 2]" 1
1684 1 77 GLU HG3 1 78 GLU H . . 5.200 3.943 3.033 5.099 . 0 0 "[ . 1 . 2]" 1
1685 2 7 GLY QA 2 8 SER H . . 3.370 2.329 2.109 2.859 . 0 0 "[ . 1 . 2]" 1
1686 2 8 SER HB2 2 9 LYS H . . 4.550 4.269 3.881 4.563 0.013 12 0 "[ . 1 . 2]" 1
1687 2 8 SER HA 2 9 LYS H . . 3.090 2.418 2.146 2.818 . 0 0 "[ . 1 . 2]" 1
1688 2 8 SER H 2 9 LYS H . . 4.310 3.451 2.682 4.293 . 0 0 "[ . 1 . 2]" 1
1689 2 8 SER HB3 2 9 LYS H . . 4.210 4.364 3.910 4.666 0.456 7 0 "[ . 1 . 2]" 1
1690 2 8 SER HA 2 76 VAL HA . . 5.350 5.354 5.267 5.387 0.037 1 0 "[ . 1 . 2]" 1
1691 2 9 LYS H 2 9 LYS HB2 . . 3.740 2.674 2.236 3.672 . 0 0 "[ . 1 . 2]" 1
1692 2 9 LYS H 2 9 LYS QE . . 4.810 4.502 3.776 4.863 0.053 14 0 "[ . 1 . 2]" 1
1693 2 9 LYS HB2 2 9 LYS QE . . 4.940 3.246 2.103 4.038 . 0 0 "[ . 1 . 2]" 1
1694 2 9 LYS QE 2 9 LYS HG2 . . 3.300 2.864 1.979 3.402 0.102 2 0 "[ . 1 . 2]" 1
1695 2 9 LYS H 2 9 LYS HB3 . . 3.540 3.277 2.595 3.675 0.135 14 0 "[ . 1 . 2]" 1
1696 2 9 LYS QE 2 9 LYS HG3 . . 3.610 2.594 1.957 3.470 . 0 0 "[ . 1 . 2]" 1
1697 2 9 LYS HB3 2 9 LYS QE . . 4.750 3.217 1.995 4.436 . 0 0 "[ . 1 . 2]" 1
1698 2 9 LYS H 2 9 LYS HG3 . . 4.600 3.670 2.641 4.589 . 0 0 "[ . 1 . 2]" 1
1699 2 9 LYS H 2 9 LYS HG2 . . 4.600 3.634 1.935 4.687 0.087 12 0 "[ . 1 . 2]" 1
1700 2 9 LYS H 2 9 LYS QD . . 4.750 3.638 1.938 4.634 . 0 0 "[ . 1 . 2]" 1
1701 2 9 LYS HG2 2 10 THR H . . 4.800 3.982 2.307 4.652 . 0 0 "[ . 1 . 2]" 1
1702 2 9 LYS HA 2 10 THR H . . 3.510 2.443 2.224 2.534 . 0 0 "[ . 1 . 2]" 1
1703 2 9 LYS HG3 2 10 THR H . . 4.800 3.782 2.053 4.800 . 15 0 "[ . 1 . 2]" 1
1704 2 9 LYS HB2 2 10 THR H . . 4.290 3.438 2.145 4.123 . 0 0 "[ . 1 . 2]" 1
1705 2 9 LYS H 2 10 THR H . . 4.700 4.534 4.504 4.564 . 0 0 "[ . 1 . 2]" 1
1706 2 9 LYS HB3 2 10 THR H . . 3.760 2.834 2.152 3.895 0.135 6 0 "[ . 1 . 2]" 1
1707 2 9 LYS QD 2 52 LEU QD . . 4.500 3.139 1.919 3.987 . 0 0 "[ . 1 . 2]" 1
1708 2 9 LYS HB3 2 52 LEU QD . . 4.800 3.299 2.062 4.847 0.047 7 0 "[ . 1 . 2]" 1
1709 2 9 LYS HB2 2 52 LEU QD . . 4.800 3.434 2.435 4.435 . 0 0 "[ . 1 . 2]" 1
1710 2 9 LYS HA 2 55 SER H . . 4.500 4.425 3.861 4.536 0.036 14 0 "[ . 1 . 2]" 1
1711 2 10 THR H 2 10 THR HB . . 3.940 3.016 2.861 3.296 . 0 0 "[ . 1 . 2]" 1
1712 2 10 THR H 2 10 THR MG . . 4.150 3.834 3.663 3.938 . 0 0 "[ . 1 . 2]" 1
1713 2 10 THR HA 2 10 THR MG . . 3.490 2.050 1.959 2.247 . 0 0 "[ . 1 . 2]" 1
1714 2 10 THR MG 2 11 ILE H . . 3.320 3.092 2.806 3.333 0.013 1 0 "[ . 1 . 2]" 1
1715 2 10 THR H 2 11 ILE H . . 4.340 4.237 3.987 4.359 0.019 4 0 "[ . 1 . 2]" 1
1716 2 10 THR HB 2 11 ILE H . . 4.710 4.043 3.738 4.246 . 0 0 "[ . 1 . 2]" 1
1717 2 10 THR HA 2 11 ILE H . . 3.170 2.155 2.141 2.188 . 0 0 "[ . 1 . 2]" 1
1718 2 10 THR MG 2 12 PHE QD . . 4.340 2.811 2.408 3.500 . 0 0 "[ . 1 . 2]" 1
1719 2 10 THR MG 2 12 PHE QE . . 3.510 2.123 1.951 2.553 . 0 0 "[ . 1 . 2]" 1
1720 2 10 THR HB 2 12 PHE QE . . 4.810 3.609 3.033 4.095 . 0 0 "[ . 1 . 2]" 1
1721 2 10 THR HB 2 53 ILE HG12 . . 4.470 3.084 2.831 3.632 . 0 0 "[ . 1 . 2]" 1
1722 2 10 THR HB 2 53 ILE HG13 . . 4.680 2.450 2.046 2.711 . 0 0 "[ . 1 . 2]" 1
1723 2 10 THR HB 2 53 ILE MD . . 4.820 3.460 2.837 3.687 . 0 0 "[ . 1 . 2]" 1
1724 2 10 THR HB 2 53 ILE H . . 4.840 3.714 3.548 3.872 . 0 0 "[ . 1 . 2]" 1
1725 2 10 THR H 2 54 PRO HA . . 3.880 3.557 3.214 3.854 . 0 0 "[ . 1 . 2]" 1
1726 2 10 THR H 2 55 SER H . . 4.970 4.350 3.979 4.710 . 0 0 "[ . 1 . 2]" 1
1727 2 10 THR HB 2 58 VAL QG . . 4.200 2.942 2.190 3.894 . 0 0 "[ . 1 . 2]" 1
1728 2 10 THR MG 2 74 VAL QG . . 2.720 1.979 1.808 2.280 . 0 0 "[ . 1 . 2]" 1
1729 2 10 THR HB 2 74 VAL QG . . 4.670 3.801 3.116 4.161 . 0 0 "[ . 1 . 2]" 1
1730 2 10 THR MG 2 75 TYR H . . 4.190 3.876 3.374 4.209 0.019 15 0 "[ . 1 . 2]" 1
1731 2 10 THR HA 2 75 TYR H . . 5.290 4.621 4.188 4.993 . 0 0 "[ . 1 . 2]" 1
1732 2 10 THR HA 2 76 VAL HA . . 4.290 3.298 3.036 3.691 . 0 0 "[ . 1 . 2]" 1
1733 2 10 THR MG 2 76 VAL HB . . 4.800 3.949 3.103 4.815 0.015 15 0 "[ . 1 . 2]" 1
1734 2 10 THR MG 2 76 VAL HA . . 5.020 4.033 3.772 4.699 . 0 0 "[ . 1 . 2]" 1
1735 2 11 ILE HB 2 11 ILE MD . . 3.600 2.265 2.116 2.390 . 0 0 "[ . 1 . 2]" 1
1736 2 11 ILE H 2 11 ILE HG12 . . 4.800 3.933 3.575 4.179 . 0 0 "[ . 1 . 2]" 1
1737 2 11 ILE H 2 11 ILE HG13 . . 4.800 2.562 2.284 2.804 . 0 0 "[ . 1 . 2]" 1
1738 2 11 ILE H 2 11 ILE MD . . 4.270 3.407 3.048 3.691 . 0 0 "[ . 1 . 2]" 1
1739 2 11 ILE HG12 2 11 ILE MG . . 3.270 2.232 2.045 2.375 . 0 0 "[ . 1 . 2]" 1
1740 2 11 ILE HA 2 11 ILE MD . . 4.700 3.870 3.838 3.883 . 0 0 "[ . 1 . 2]" 1
1741 2 11 ILE MD 2 11 ILE MG . . 2.830 2.260 1.939 2.585 . 0 0 "[ . 1 . 2]" 1
1742 2 11 ILE H 2 11 ILE HB . . 3.600 2.525 2.469 2.621 . 0 0 "[ . 1 . 2]" 1
1743 2 11 ILE H 2 11 ILE MG . . 3.940 3.796 3.770 3.827 . 0 0 "[ . 1 . 2]" 1
1744 2 11 ILE MG 2 12 PHE H . . 3.580 2.673 2.059 2.950 . 0 0 "[ . 1 . 2]" 1
1745 2 11 ILE HB 2 12 PHE H . . 4.960 4.247 3.942 4.356 . 0 0 "[ . 1 . 2]" 1
1746 2 11 ILE HG13 2 12 PHE H . . 4.970 4.828 4.675 5.117 0.147 8 0 "[ . 1 . 2]" 1
1747 2 11 ILE MD 2 12 PHE H . . 5.390 5.290 4.931 5.385 . 0 0 "[ . 1 . 2]" 1
1748 2 11 ILE MG 2 12 PHE HA . . 3.970 3.834 3.468 3.969 . 0 0 "[ . 1 . 2]" 1
1749 2 11 ILE HA 2 12 PHE H . . 3.240 2.153 2.140 2.208 . 0 0 "[ . 1 . 2]" 1
1750 2 11 ILE HG12 2 12 PHE H . . 5.110 4.598 4.229 4.830 . 0 0 "[ . 1 . 2]" 1
1751 2 11 ILE MG 2 13 VAL H . . 4.800 3.950 3.776 4.135 . 0 0 "[ . 1 . 2]" 1
1752 2 11 ILE MG 2 50 VAL HA . . 4.520 3.582 3.364 3.808 . 0 0 "[ . 1 . 2]" 1
1753 2 11 ILE MG 2 51 ILE H . . 4.500 2.987 2.783 3.341 . 0 0 "[ . 1 . 2]" 1
1754 2 11 ILE HG13 2 52 LEU HG . . 4.600 3.311 2.340 4.815 0.215 11 0 "[ . 1 . 2]" 1
1755 2 11 ILE MD 2 52 LEU QD . . 3.390 2.718 2.436 2.986 . 0 0 "[ . 1 . 2]" 1
1756 2 11 ILE MG 2 52 LEU H . . 5.150 4.455 4.220 4.797 . 0 0 "[ . 1 . 2]" 1
1757 2 11 ILE MD 2 52 LEU HG . . 4.600 3.742 3.358 4.636 0.036 4 0 "[ . 1 . 2]" 1
1758 2 11 ILE HG12 2 52 LEU HG . . 4.800 2.499 1.993 3.888 . 0 0 "[ . 1 . 2]" 1
1759 2 11 ILE HG13 2 52 LEU QD . . 4.210 2.960 2.021 3.590 . 0 0 "[ . 1 . 2]" 1
1760 2 11 ILE H 2 52 LEU QD . . 5.120 4.621 3.637 5.116 . 0 0 "[ . 1 . 2]" 1
1761 2 11 ILE HA 2 53 ILE H . . 4.830 3.061 2.924 3.217 . 0 0 "[ . 1 . 2]" 1
1762 2 11 ILE H 2 74 VAL QG . . 3.970 3.535 3.166 3.962 . 0 0 "[ . 1 . 2]" 1
1763 2 11 ILE MD 2 75 TYR HB3 . . 5.500 3.538 3.283 3.842 . 0 0 "[ . 1 . 2]" 1
1764 2 11 ILE MD 2 75 TYR H . . 5.110 4.691 4.497 5.069 . 0 0 "[ . 1 . 2]" 1
1765 2 11 ILE MG 2 75 TYR H . . 4.500 3.862 3.445 4.317 . 0 0 "[ . 1 . 2]" 1
1766 2 11 ILE MD 2 75 TYR HB2 . . 5.200 3.022 2.764 3.235 . 0 0 "[ . 1 . 2]" 1
1767 2 11 ILE HB 2 75 TYR HB3 . . 5.410 3.604 3.262 3.966 . 0 0 "[ . 1 . 2]" 1
1768 2 11 ILE HB 2 75 TYR H . . 4.460 3.141 2.860 3.536 . 0 0 "[ . 1 . 2]" 1
1769 2 11 ILE MG 2 75 TYR HB3 . . 5.500 4.521 4.068 4.854 . 0 0 "[ . 1 . 2]" 1
1770 2 11 ILE MG 2 75 TYR HB2 . . 5.500 3.163 2.761 3.449 . 0 0 "[ . 1 . 2]" 1
1771 2 11 ILE H 2 75 TYR HB2 . . 5.500 3.616 3.307 3.982 . 0 0 "[ . 1 . 2]" 1
1772 2 11 ILE H 2 75 TYR H . . 4.150 3.181 2.791 3.512 . 0 0 "[ . 1 . 2]" 1
1773 2 11 ILE HB 2 75 TYR HB2 . . 4.910 2.092 1.983 2.345 . 0 0 "[ . 1 . 2]" 1
1774 2 11 ILE H 2 76 VAL HA . . 4.340 3.599 3.300 3.782 . 0 0 "[ . 1 . 2]" 1
1775 2 11 ILE MD 2 77 GLU H . . 4.610 4.612 4.405 4.674 0.064 8 0 "[ . 1 . 2]" 1
1776 2 12 PHE H 2 12 PHE HB2 . . 3.890 2.313 2.227 2.501 . 0 0 "[ . 1 . 2]" 1
1777 2 12 PHE H 2 12 PHE HB3 . . 4.020 3.466 3.378 3.574 . 0 0 "[ . 1 . 2]" 1
1778 2 12 PHE H 2 12 PHE QD . . 3.890 3.178 2.953 3.482 . 0 0 "[ . 1 . 2]" 1
1779 2 12 PHE HA 2 12 PHE QD . . 4.040 2.857 2.715 2.996 . 0 0 "[ . 1 . 2]" 1
1780 2 12 PHE HB2 2 13 VAL H . . 4.700 4.524 4.458 4.561 . 0 0 "[ . 1 . 2]" 1
1781 2 12 PHE H 2 13 VAL H . . 4.300 4.317 4.123 4.385 0.085 6 0 "[ . 1 . 2]" 1
1782 2 12 PHE HA 2 13 VAL MG2 . . 4.530 3.730 3.554 5.439 0.909 14 1 "[ . 1 +. 2]" 1
1783 2 12 PHE QD 2 13 VAL H . . 4.400 4.282 3.902 4.399 . 0 0 "[ . 1 . 2]" 1
1784 2 12 PHE HA 2 13 VAL H . . 2.850 2.141 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
1785 2 12 PHE HB3 2 13 VAL H . . 3.860 3.654 3.492 3.754 . 0 0 "[ . 1 . 2]" 1
1786 2 12 PHE HB3 2 14 ILE HG13 . . 5.500 3.469 3.156 3.996 . 0 0 "[ . 1 . 2]" 1
1787 2 12 PHE QD 2 14 ILE HG13 . . 4.800 3.792 3.409 4.227 . 0 0 "[ . 1 . 2]" 1
1788 2 12 PHE HB3 2 14 ILE HG12 . . 5.500 4.431 3.743 4.939 . 0 0 "[ . 1 . 2]" 1
1789 2 12 PHE QD 2 14 ILE MD . . 4.200 3.321 2.748 3.839 . 0 0 "[ . 1 . 2]" 1
1790 2 12 PHE HB2 2 14 ILE MD . . 4.250 4.035 3.690 4.372 0.122 16 0 "[ . 1 . 2]" 1
1791 2 12 PHE HB3 2 14 ILE MD . . 4.250 2.817 2.335 3.346 . 0 0 "[ . 1 . 2]" 1
1792 2 12 PHE QD 2 14 ILE HG12 . . 4.800 4.056 3.603 4.373 . 0 0 "[ . 1 . 2]" 1
1793 2 12 PHE H 2 50 VAL QG . . 4.340 3.901 3.333 4.297 . 0 0 "[ . 1 . 2]" 1
1794 2 12 PHE HB3 2 51 ILE MD . . 5.200 3.660 3.434 3.879 . 0 0 "[ . 1 . 2]" 1
1795 2 12 PHE H 2 51 ILE HG13 . . 5.500 5.233 4.915 5.510 0.010 18 0 "[ . 1 . 2]" 1
1796 2 12 PHE H 2 51 ILE H . . 4.120 3.149 2.701 3.391 . 0 0 "[ . 1 . 2]" 1
1797 2 12 PHE HB2 2 51 ILE HA . . 5.500 5.436 5.225 5.645 0.145 15 0 "[ . 1 . 2]" 1
1798 2 12 PHE HB2 2 51 ILE MG . . 4.100 3.794 3.652 3.911 . 0 0 "[ . 1 . 2]" 1
1799 2 12 PHE H 2 51 ILE MD . . 5.300 5.157 4.756 5.334 0.034 14 0 "[ . 1 . 2]" 1
1800 2 12 PHE H 2 51 ILE HB . . 4.500 3.525 3.271 3.748 . 0 0 "[ . 1 . 2]" 1
1801 2 12 PHE HB2 2 51 ILE MD . . 5.350 4.124 3.662 4.503 . 0 0 "[ . 1 . 2]" 1
1802 2 12 PHE QD 2 51 ILE MG . . 5.500 5.166 5.063 5.277 . 0 0 "[ . 1 . 2]" 1
1803 2 12 PHE HB3 2 51 ILE MG . . 4.780 4.483 4.210 4.778 . 0 0 "[ . 1 . 2]" 1
1804 2 12 PHE HB3 2 51 ILE HB . . 3.860 3.328 3.143 3.554 . 0 0 "[ . 1 . 2]" 1
1805 2 12 PHE QD 2 51 ILE HB . . 4.960 4.838 4.707 4.942 . 0 0 "[ . 1 . 2]" 1
1806 2 12 PHE HB2 2 51 ILE HB . . 4.080 2.931 2.711 3.231 . 0 0 "[ . 1 . 2]" 1
1807 2 12 PHE H 2 52 LEU HA . . 4.140 3.315 3.103 3.617 . 0 0 "[ . 1 . 2]" 1
1808 2 12 PHE H 2 52 LEU QD . . 5.200 4.131 3.158 4.743 . 0 0 "[ . 1 . 2]" 1
1809 2 12 PHE HB2 2 53 ILE MG . . 5.000 2.843 2.604 2.991 . 0 0 "[ . 1 . 2]" 1
1810 2 12 PHE QD 2 53 ILE MD . . 4.150 2.667 2.511 2.848 . 0 0 "[ . 1 . 2]" 1
1811 2 12 PHE HB3 2 53 ILE MG . . 5.370 4.091 3.661 4.317 . 0 0 "[ . 1 . 2]" 1
1812 2 12 PHE HA 2 53 ILE MG . . 5.500 5.408 5.212 5.521 0.021 18 0 "[ . 1 . 2]" 1
1813 2 12 PHE QE 2 53 ILE MD . . 3.650 2.732 2.466 2.966 . 0 0 "[ . 1 . 2]" 1
1814 2 12 PHE QD 2 53 ILE HG13 . . 4.150 3.571 3.143 3.918 . 0 0 "[ . 1 . 2]" 1
1815 2 12 PHE HZ 2 53 ILE MD . . 4.800 3.637 3.322 3.798 . 0 0 "[ . 1 . 2]" 1
1816 2 12 PHE HZ 2 58 VAL QG . . 3.800 2.273 1.904 3.635 . 0 0 "[ . 1 . 2]" 1
1817 2 12 PHE QE 2 58 VAL QG . . 3.800 1.983 1.869 2.261 . 0 0 "[ . 1 . 2]" 1
1818 2 12 PHE QE 2 58 VAL HA . . 3.970 3.102 2.725 3.379 . 0 0 "[ . 1 . 2]" 1
1819 2 12 PHE QD 2 58 VAL QG . . 4.310 3.569 3.182 3.948 . 0 0 "[ . 1 . 2]" 1
1820 2 12 PHE HZ 2 58 VAL HA . . 4.500 3.433 3.011 3.687 . 0 0 "[ . 1 . 2]" 1
1821 2 12 PHE HZ 2 61 PHE QD . . 5.500 5.529 5.319 5.605 0.105 4 0 "[ . 1 . 2]" 1
1822 2 12 PHE HZ 2 61 PHE HB2 . . 5.500 4.804 4.533 4.963 . 0 0 "[ . 1 . 2]" 1
1823 2 12 PHE HB3 2 61 PHE QE . . 4.760 4.536 4.327 4.734 . 0 0 "[ . 1 . 2]" 1
1824 2 12 PHE HB2 2 61 PHE QE . . 5.000 4.411 4.216 4.631 . 0 0 "[ . 1 . 2]" 1
1825 2 12 PHE HZ 2 61 PHE HB3 . . 5.500 3.663 3.391 3.768 . 0 0 "[ . 1 . 2]" 1
1826 2 12 PHE QE 2 61 PHE HB2 . . 5.390 4.274 4.030 4.506 . 0 0 "[ . 1 . 2]" 1
1827 2 12 PHE QD 2 61 PHE QE . . 4.950 4.549 4.327 4.790 . 0 0 "[ . 1 . 2]" 1
1828 2 12 PHE QE 2 61 PHE HB3 . . 5.150 2.790 2.432 3.205 . 0 0 "[ . 1 . 2]" 1
1829 2 12 PHE QD 2 61 PHE QD . . 4.430 3.749 3.569 4.082 . 0 0 "[ . 1 . 2]" 1
1830 2 12 PHE HZ 2 62 LEU HG . . 4.540 3.133 1.938 4.591 0.051 1 0 "[ . 1 . 2]" 1
1831 2 12 PHE HZ 2 62 LEU QD . . 3.500 2.239 1.917 2.485 . 0 0 "[ . 1 . 2]" 1
1832 2 12 PHE QE 2 62 LEU QD . . 3.340 2.446 2.048 3.090 . 0 0 "[ . 1 . 2]" 1
1833 2 12 PHE QE 2 62 LEU HB2 . . 5.000 3.906 2.941 4.871 . 0 0 "[ . 1 . 2]" 1
1834 2 12 PHE HZ 2 62 LEU HB2 . . 4.500 3.255 2.020 4.391 . 0 0 "[ . 1 . 2]" 1
1835 2 12 PHE QE 2 62 LEU HB3 . . 5.000 4.610 4.196 5.023 0.023 20 0 "[ . 1 . 2]" 1
1836 2 12 PHE QE 2 62 LEU H . . 4.510 3.527 2.972 4.234 . 0 0 "[ . 1 . 2]" 1
1837 2 12 PHE QE 2 62 LEU HA . . 4.500 2.425 1.999 2.952 . 0 0 "[ . 1 . 2]" 1
1838 2 12 PHE HZ 2 62 LEU HA . . 4.300 3.616 3.289 3.949 . 0 0 "[ . 1 . 2]" 1
1839 2 12 PHE HZ 2 62 LEU HB3 . . 4.800 4.398 3.769 4.866 0.066 19 0 "[ . 1 . 2]" 1
1840 2 12 PHE HZ 2 62 LEU H . . 4.500 3.586 3.033 4.049 . 0 0 "[ . 1 . 2]" 1
1841 2 12 PHE QE 2 65 LEU QD . . 4.000 2.873 2.185 4.034 0.034 16 0 "[ . 1 . 2]" 1
1842 2 12 PHE QD 2 65 LEU QD . . 3.800 2.437 1.959 3.389 . 0 0 "[ . 1 . 2]" 1
1843 2 12 PHE QE 2 65 LEU H . . 5.460 5.042 4.565 5.469 0.009 20 0 "[ . 1 . 2]" 1
1844 2 12 PHE QD 2 65 LEU HG . . 5.180 4.246 2.936 4.913 . 0 0 "[ . 1 . 2]" 1
1845 2 12 PHE QE 2 72 PHE HZ . . 4.610 3.958 3.381 4.512 . 0 0 "[ . 1 . 2]" 1
1846 2 12 PHE QD 2 72 PHE HB2 . . 5.500 3.757 3.378 4.138 . 0 0 "[ . 1 . 2]" 1
1847 2 12 PHE QD 2 72 PHE QD . . 4.200 3.560 2.385 4.199 . 0 0 "[ . 1 . 2]" 1
1848 2 12 PHE QD 2 72 PHE HB3 . . 5.000 4.668 4.362 5.082 0.082 16 0 "[ . 1 . 2]" 1
1849 2 12 PHE QD 2 73 THR H . . 5.260 4.926 4.514 5.238 . 0 0 "[ . 1 . 2]" 1
1850 2 12 PHE HA 2 73 THR H . . 4.710 4.343 4.107 4.501 . 0 0 "[ . 1 . 2]" 1
1851 2 12 PHE HZ 2 74 VAL QG . . 3.620 2.778 2.269 3.350 . 0 0 "[ . 1 . 2]" 1
1852 2 12 PHE QE 2 74 VAL QG . . 3.700 2.070 1.936 2.228 . 0 0 "[ . 1 . 2]" 1
1853 2 12 PHE HA 2 74 VAL HA . . 4.020 2.476 2.234 2.757 . 0 0 "[ . 1 . 2]" 1
1854 2 12 PHE QD 2 74 VAL QG . . 4.500 2.600 2.419 2.879 . 0 0 "[ . 1 . 2]" 1
1855 2 12 PHE HZ 2 74 VAL HB . . 4.920 4.159 3.067 4.977 0.057 19 0 "[ . 1 . 2]" 1
1856 2 12 PHE H 2 75 TYR H . . 5.500 4.856 4.637 5.049 . 0 0 "[ . 1 . 2]" 1
1857 2 12 PHE HA 2 75 TYR H . . 4.230 3.633 3.401 3.863 . 0 0 "[ . 1 . 2]" 1
1858 2 13 VAL H 2 13 VAL HB . . 3.680 2.890 2.527 3.739 0.059 4 0 "[ . 1 . 2]" 1
1859 2 13 VAL H 2 13 VAL MG2 . . 3.350 2.407 1.945 3.871 0.521 14 1 "[ . 1 +. 2]" 1
1860 2 13 VAL MG2 2 14 ILE H . . 4.410 4.093 2.411 4.238 . 0 0 "[ . 1 . 2]" 1
1861 2 13 VAL H 2 14 ILE H . . 4.400 4.274 4.212 4.450 0.050 14 0 "[ . 1 . 2]" 1
1862 2 13 VAL H 2 14 ILE MD . . 5.500 4.874 4.117 5.539 0.039 3 0 "[ . 1 . 2]" 1
1863 2 13 VAL HB 2 14 ILE H . . 4.880 4.120 3.271 4.375 . 0 0 "[ . 1 . 2]" 1
1864 2 13 VAL HA 2 14 ILE H . . 3.030 2.152 2.141 2.169 . 0 0 "[ . 1 . 2]" 1
1865 2 13 VAL HA 2 51 ILE H . . 4.020 3.318 3.026 3.642 . 0 0 "[ . 1 . 2]" 1
1866 2 13 VAL H 2 72 PHE HA . . 5.100 4.944 4.793 5.108 0.008 2 0 "[ . 1 . 2]" 1
1867 2 13 VAL H 2 72 PHE HB3 . . 5.500 5.529 5.408 5.611 0.111 16 0 "[ . 1 . 2]" 1
1868 2 13 VAL H 2 72 PHE HB2 . . 5.500 3.850 3.809 3.912 . 0 0 "[ . 1 . 2]" 1
1869 2 13 VAL H 2 72 PHE QD . . 4.800 4.200 3.738 4.716 . 0 0 "[ . 1 . 2]" 1
1870 2 13 VAL H 2 73 THR HB . . 4.060 3.889 3.544 4.059 . 0 0 "[ . 1 . 2]" 1
1871 2 13 VAL H 2 73 THR MG . . 4.950 4.801 4.549 4.979 0.029 12 0 "[ . 1 . 2]" 1
1872 2 13 VAL MG2 2 73 THR HB . . 4.360 3.169 1.913 4.382 0.022 14 0 "[ . 1 . 2]" 1
1873 2 13 VAL HB 2 73 THR H . . 4.580 3.440 2.764 4.503 . 0 0 "[ . 1 . 2]" 1
1874 2 13 VAL H 2 73 THR H . . 3.700 2.811 2.719 2.940 . 0 0 "[ . 1 . 2]" 1
1875 2 13 VAL HB 2 73 THR HB . . 4.500 3.108 2.375 4.630 0.130 4 0 "[ . 1 . 2]" 1
1876 2 13 VAL MG2 2 73 THR H . . 4.810 3.704 1.947 4.416 . 0 0 "[ . 1 . 2]" 1
1877 2 13 VAL H 2 74 VAL QG . . 5.500 4.321 3.872 4.827 . 0 0 "[ . 1 . 2]" 1
1878 2 13 VAL H 2 74 VAL HA . . 3.860 3.331 2.983 3.734 . 0 0 "[ . 1 . 2]" 1
1879 2 13 VAL H 2 75 TYR H . . 5.110 4.494 4.166 4.951 . 0 0 "[ . 1 . 2]" 1
1880 2 13 VAL MG2 2 75 TYR QD . . 4.500 2.321 1.954 4.576 0.076 14 0 "[ . 1 . 2]" 1
1881 2 13 VAL MG1 2 75 TYR QD . . 4.500 4.128 2.792 4.550 0.050 15 0 "[ . 1 . 2]" 1
1882 2 13 VAL H 2 75 TYR QE . . 4.290 4.084 3.572 4.313 0.023 4 0 "[ . 1 . 2]" 1
1883 2 13 VAL MG2 2 75 TYR QE . . 4.000 2.044 1.878 3.136 . 0 0 "[ . 1 . 2]" 1
1884 2 13 VAL MG1 2 75 TYR QE . . 4.000 3.144 1.970 3.500 . 0 0 "[ . 1 . 2]" 1
1885 2 13 VAL HB 2 75 TYR QE . . 4.360 2.919 2.048 4.387 0.027 8 0 "[ . 1 . 2]" 1
1886 2 14 ILE HG12 2 14 ILE MG . . 3.500 2.195 2.055 2.395 . 0 0 "[ . 1 . 2]" 1
1887 2 14 ILE MD 2 14 ILE MG . . 3.200 2.588 2.005 3.032 . 0 0 "[ . 1 . 2]" 1
1888 2 14 ILE HB 2 14 ILE MD . . 3.200 2.137 1.990 2.316 . 0 0 "[ . 1 . 2]" 1
1889 2 14 ILE H 2 14 ILE MG . . 4.500 3.850 3.816 3.905 . 0 0 "[ . 1 . 2]" 1
1890 2 14 ILE H 2 14 ILE HB . . 3.800 2.649 2.562 2.781 . 0 0 "[ . 1 . 2]" 1
1891 2 14 ILE H 2 14 ILE MD . . 4.500 3.107 2.503 3.832 . 0 0 "[ . 1 . 2]" 1
1892 2 14 ILE H 2 14 ILE HG13 . . 5.000 2.755 2.288 3.183 . 0 0 "[ . 1 . 2]" 1
1893 2 14 ILE H 2 14 ILE HG12 . . 4.800 4.066 3.599 4.472 . 0 0 "[ . 1 . 2]" 1
1894 2 14 ILE MG 2 15 VAL H . . 3.280 2.428 2.167 2.857 . 0 0 "[ . 1 . 2]" 1
1895 2 14 ILE H 2 15 VAL H . . 4.760 4.449 4.224 4.533 . 0 0 "[ . 1 . 2]" 1
1896 2 14 ILE MD 2 15 VAL H . . 5.500 5.145 5.020 5.317 . 0 0 "[ . 1 . 2]" 1
1897 2 14 ILE H 2 15 VAL QG . . 4.770 4.271 3.958 4.823 0.053 1 0 "[ . 1 . 2]" 1
1898 2 14 ILE HB 2 15 VAL H . . 4.300 3.996 3.883 4.226 . 0 0 "[ . 1 . 2]" 1
1899 2 14 ILE HA 2 15 VAL H . . 3.170 2.192 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
1900 2 14 ILE HG12 2 15 VAL H . . 5.070 4.672 4.429 5.036 . 0 0 "[ . 1 . 2]" 1
1901 2 14 ILE HB 2 16 PRO HD3 . . 4.560 3.914 3.584 4.200 . 0 0 "[ . 1 . 2]" 1
1902 2 14 ILE MG 2 16 PRO HD2 . . 5.050 4.185 3.865 4.692 . 0 0 "[ . 1 . 2]" 1
1903 2 14 ILE HB 2 16 PRO HD2 . . 5.500 5.295 4.957 5.549 0.049 1 0 "[ . 1 . 2]" 1
1904 2 14 ILE MG 2 16 PRO HD3 . . 4.800 2.827 2.439 3.378 . 0 0 "[ . 1 . 2]" 1
1905 2 14 ILE HA 2 16 PRO HD3 . . 5.400 5.083 4.831 5.327 . 0 0 "[ . 1 . 2]" 1
1906 2 14 ILE MD 2 25 LEU QD . . 3.500 2.501 1.787 3.079 . 0 0 "[ . 1 . 2]" 1
1907 2 14 ILE HB 2 25 LEU QD . . 4.500 2.110 1.963 2.231 . 0 0 "[ . 1 . 2]" 1
1908 2 14 ILE HB 2 49 VAL H . . 4.470 4.190 3.846 4.488 0.018 15 0 "[ . 1 . 2]" 1
1909 2 14 ILE H 2 49 VAL HB . . 4.800 3.455 3.004 4.948 0.148 1 0 "[ . 1 . 2]" 1
1910 2 14 ILE HB 2 49 VAL QG . . 4.250 3.324 2.073 4.006 . 0 0 "[ . 1 . 2]" 1
1911 2 14 ILE HB 2 49 VAL HB . . 4.800 3.243 2.686 4.827 0.027 1 0 "[ . 1 . 2]" 1
1912 2 14 ILE H 2 49 VAL QG . . 5.300 3.488 2.139 4.022 . 0 0 "[ . 1 . 2]" 1
1913 2 14 ILE MG 2 49 VAL H . . 5.300 4.660 4.401 4.970 . 0 0 "[ . 1 . 2]" 1
1914 2 14 ILE H 2 49 VAL H . . 3.950 3.450 3.059 3.828 . 0 0 "[ . 1 . 2]" 1
1915 2 14 ILE H 2 50 VAL QG . . 5.500 4.536 4.357 4.999 . 0 0 "[ . 1 . 2]" 1
1916 2 14 ILE H 2 50 VAL HA . . 4.260 3.789 3.600 3.993 . 0 0 "[ . 1 . 2]" 1
1917 2 14 ILE HB 2 51 ILE MD . . 4.800 3.587 3.285 3.762 . 0 0 "[ . 1 . 2]" 1
1918 2 14 ILE MG 2 51 ILE MD . . 4.500 4.363 4.010 4.516 0.016 11 0 "[ . 1 . 2]" 1
1919 2 14 ILE H 2 51 ILE MD . . 5.150 4.037 3.788 4.334 . 0 0 "[ . 1 . 2]" 1
1920 2 14 ILE HG12 2 51 ILE MD . . 4.800 4.283 3.913 4.675 . 0 0 "[ . 1 . 2]" 1
1921 2 14 ILE MD 2 51 ILE HG12 . . 4.340 4.240 3.975 4.395 0.055 19 0 "[ . 1 . 2]" 1
1922 2 14 ILE MD 2 51 ILE MD . . 2.810 1.945 1.843 2.188 . 0 0 "[ . 1 . 2]" 1
1923 2 14 ILE MD 2 51 ILE MG . . 4.350 4.058 3.885 4.352 0.002 19 0 "[ . 1 . 2]" 1
1924 2 14 ILE HG13 2 51 ILE MD . . 4.800 3.824 2.830 4.415 . 0 0 "[ . 1 . 2]" 1
1925 2 14 ILE MD 2 51 ILE H . . 5.500 4.694 4.092 5.343 . 0 0 "[ . 1 . 2]" 1
1926 2 14 ILE H 2 51 ILE H . . 4.870 4.564 4.152 4.873 0.003 20 0 "[ . 1 . 2]" 1
1927 2 14 ILE HG12 2 61 PHE QE . . 5.500 4.165 3.633 4.634 . 0 0 "[ . 1 . 2]" 1
1928 2 14 ILE MD 2 61 PHE QE . . 3.000 2.541 2.253 3.006 0.006 9 0 "[ . 1 . 2]" 1
1929 2 14 ILE MG 2 61 PHE QE . . 4.810 4.564 4.128 4.796 . 0 0 "[ . 1 . 2]" 1
1930 2 14 ILE MD 2 61 PHE QD . . 5.200 3.721 3.323 3.991 . 0 0 "[ . 1 . 2]" 1
1931 2 14 ILE HG13 2 61 PHE QE . . 5.500 4.933 4.646 5.199 . 0 0 "[ . 1 . 2]" 1
1932 2 14 ILE MG 2 65 LEU QD . . 3.310 2.095 1.768 2.388 . 0 0 "[ . 1 . 2]" 1
1933 2 14 ILE HG13 2 65 LEU QD . . 4.800 2.742 2.399 3.384 . 0 0 "[ . 1 . 2]" 1
1934 2 14 ILE MD 2 65 LEU QD . . 2.940 2.058 1.735 2.574 . 0 0 "[ . 1 . 2]" 1
1935 2 14 ILE HB 2 65 LEU QD . . 5.500 3.651 3.494 3.905 . 0 0 "[ . 1 . 2]" 1
1936 2 14 ILE HG12 2 65 LEU QD . . 4.800 1.807 1.736 1.951 . 0 0 "[ . 1 . 2]" 1
1937 2 14 ILE MG 2 70 ILE MD . . 3.130 2.917 2.741 3.074 . 0 0 "[ . 1 . 2]" 1
1938 2 14 ILE MG 2 70 ILE HG12 . . 4.650 4.709 4.602 4.823 0.173 19 0 "[ . 1 . 2]" 1
1939 2 14 ILE MG 2 70 ILE MG . . 2.550 1.926 1.836 2.061 . 0 0 "[ . 1 . 2]" 1
1940 2 14 ILE MG 2 70 ILE H . . 5.410 5.377 5.286 5.439 0.029 13 0 "[ . 1 . 2]" 1
1941 2 14 ILE MG 2 70 ILE HB . . 4.120 3.190 3.076 3.289 . 0 0 "[ . 1 . 2]" 1
1942 2 14 ILE MG 2 70 ILE HA . . 4.800 4.696 4.592 4.835 0.035 1 0 "[ . 1 . 2]" 1
1943 2 14 ILE HG12 2 72 PHE QD . . 5.500 3.937 3.704 4.248 . 0 0 "[ . 1 . 2]" 1
1944 2 14 ILE MG 2 72 PHE HA . . 4.500 3.689 3.564 3.780 . 0 0 "[ . 1 . 2]" 1
1945 2 14 ILE MD 2 72 PHE HA . . 5.500 5.310 4.912 5.536 0.036 3 0 "[ . 1 . 2]" 1
1946 2 14 ILE HG13 2 72 PHE QD . . 5.500 4.368 4.059 5.256 . 0 0 "[ . 1 . 2]" 1
1947 2 14 ILE MG 2 72 PHE HB2 . . 4.400 3.797 3.516 4.126 . 0 0 "[ . 1 . 2]" 1
1948 2 14 ILE MG 2 72 PHE H . . 4.760 4.768 4.679 4.822 0.062 19 0 "[ . 1 . 2]" 1
1949 2 14 ILE MD 2 72 PHE HB3 . . 4.500 4.092 3.849 4.253 . 0 0 "[ . 1 . 2]" 1
1950 2 14 ILE MG 2 72 PHE HB3 . . 4.500 2.701 2.552 2.960 . 0 0 "[ . 1 . 2]" 1
1951 2 14 ILE MD 2 72 PHE HB2 . . 4.500 4.028 3.634 4.307 . 0 0 "[ . 1 . 2]" 1
1952 2 14 ILE HA 2 72 PHE H . . 4.800 4.824 4.748 4.909 0.109 16 0 "[ . 1 . 2]" 1
1953 2 14 ILE HG13 2 72 PHE HA . . 5.000 4.155 3.462 5.039 0.039 3 0 "[ . 1 . 2]" 1
1954 2 14 ILE MD 2 72 PHE QD . . 4.800 4.754 4.517 4.829 0.029 19 0 "[ . 1 . 2]" 1
1955 2 14 ILE HG12 2 72 PHE HB2 . . 4.800 3.130 2.535 3.752 . 0 0 "[ . 1 . 2]" 1
1956 2 14 ILE MG 2 72 PHE QD . . 4.650 3.991 3.708 4.373 . 0 0 "[ . 1 . 2]" 1
1957 2 14 ILE HG12 2 72 PHE HB3 . . 4.800 2.678 2.388 3.022 . 0 0 "[ . 1 . 2]" 1
1958 2 14 ILE HG13 2 72 PHE HB2 . . 5.500 2.754 2.257 3.674 . 0 0 "[ . 1 . 2]" 1
1959 2 14 ILE HG12 2 72 PHE HA . . 5.000 4.466 4.089 4.815 . 0 0 "[ . 1 . 2]" 1
1960 2 14 ILE HG13 2 72 PHE HB3 . . 5.500 3.162 2.388 4.193 . 0 0 "[ . 1 . 2]" 1
1961 2 14 ILE HA 2 72 PHE HA . . 3.200 2.371 2.209 2.540 . 0 0 "[ . 1 . 2]" 1
1962 2 14 ILE HA 2 73 THR H . . 4.030 3.768 3.604 3.937 . 0 0 "[ . 1 . 2]" 1
1963 2 14 ILE HG12 2 73 THR H . . 5.230 5.095 4.509 5.610 0.380 9 0 "[ . 1 . 2]" 1
1964 2 15 VAL H 2 15 VAL HB . . 3.800 2.938 2.811 3.304 . 0 0 "[ . 1 . 2]" 1
1965 2 15 VAL H 2 15 VAL QG . . 3.350 2.481 1.889 2.712 . 0 0 "[ . 1 . 2]" 1
1966 2 15 VAL QG 2 16 PRO HD2 . . 4.500 2.764 2.421 3.021 . 0 0 "[ . 1 . 2]" 1
1967 2 15 VAL QG 2 16 PRO HD3 . . 4.500 3.761 3.601 3.858 . 0 0 "[ . 1 . 2]" 1
1968 2 15 VAL H 2 16 PRO HD3 . . 4.610 4.031 3.787 4.301 . 0 0 "[ . 1 . 2]" 1
1969 2 15 VAL H 2 16 PRO HD2 . . 4.910 4.519 4.376 4.661 . 0 0 "[ . 1 . 2]" 1
1970 2 15 VAL QG 2 17 THR MG . . 3.650 3.118 2.688 3.479 . 0 0 "[ . 1 . 2]" 1
1971 2 15 VAL QG 2 17 THR HA . . 4.850 4.468 4.051 4.669 . 0 0 "[ . 1 . 2]" 1
1972 2 15 VAL H 2 25 LEU QD . . 4.800 4.023 3.827 4.171 . 0 0 "[ . 1 . 2]" 1
1973 2 15 VAL QG 2 45 PRO HA . . 5.500 5.228 4.724 5.433 . 0 0 "[ . 1 . 2]" 1
1974 2 15 VAL QG 2 46 GLY HA2 . . 3.350 2.683 2.258 3.104 . 0 0 "[ . 1 . 2]" 1
1975 2 15 VAL QG 2 46 GLY H . . 3.690 3.548 3.091 3.692 0.002 2 0 "[ . 1 . 2]" 1
1976 2 15 VAL QG 2 46 GLY HA3 . . 4.100 3.923 3.451 4.319 0.219 6 0 "[ . 1 . 2]" 1
1977 2 15 VAL HA 2 46 GLY H . . 5.250 4.863 4.781 5.051 . 0 0 "[ . 1 . 2]" 1
1978 2 15 VAL QG 2 47 GLN HA . . 4.000 3.660 3.343 3.981 . 0 0 "[ . 1 . 2]" 1
1979 2 15 VAL QG 2 47 GLN H . . 3.810 3.651 3.323 3.831 0.021 12 0 "[ . 1 . 2]" 1
1980 2 15 VAL QG 2 48 PRO HD2 . . 4.620 4.291 4.009 4.438 . 0 0 "[ . 1 . 2]" 1
1981 2 15 VAL QG 2 48 PRO HD3 . . 4.310 3.219 2.681 3.475 . 0 0 "[ . 1 . 2]" 1
1982 2 15 VAL HA 2 49 VAL H . . 3.550 3.189 3.013 3.488 . 0 0 "[ . 1 . 2]" 1
1983 2 15 VAL QG 2 49 VAL H . . 4.650 3.350 2.783 4.321 . 0 0 "[ . 1 . 2]" 1
1984 2 15 VAL H 2 70 ILE MG . . 3.890 3.282 3.097 3.703 . 0 0 "[ . 1 . 2]" 1
1985 2 15 VAL H 2 71 PRO HB2 . . 4.540 4.375 4.183 4.538 . 0 0 "[ . 1 . 2]" 1
1986 2 15 VAL QG 2 71 PRO HA . . 5.500 5.268 4.445 5.524 0.024 16 0 "[ . 1 . 2]" 1
1987 2 15 VAL H 2 72 PHE HB3 . . 5.080 4.018 3.791 4.411 . 0 0 "[ . 1 . 2]" 1
1988 2 15 VAL H 2 72 PHE HA . . 3.840 3.209 3.065 3.391 . 0 0 "[ . 1 . 2]" 1
1989 2 15 VAL H 2 72 PHE HB2 . . 4.630 4.744 4.501 5.089 0.459 14 0 "[ . 1 . 2]" 1
1990 2 15 VAL QG 2 72 PHE HA . . 4.960 3.444 3.105 3.636 . 0 0 "[ . 1 . 2]" 1
1991 2 15 VAL H 2 73 THR H . . 5.500 5.366 5.155 5.562 0.062 16 0 "[ . 1 . 2]" 1
1992 2 16 PRO HG2 2 17 THR H . . 4.860 4.789 4.664 4.876 0.016 13 0 "[ . 1 . 2]" 1
1993 2 16 PRO HD3 2 17 THR H . . 5.500 5.591 5.583 5.594 0.094 1 0 "[ . 1 . 2]" 1
1994 2 16 PRO QB 2 17 THR H . . 3.390 3.017 2.838 3.153 . 0 0 "[ . 1 . 2]" 1
1995 2 16 PRO HA 2 17 THR H . . 2.860 2.216 2.179 2.275 . 0 0 "[ . 1 . 2]" 1
1996 2 16 PRO QB 2 18 ASN H . . 3.240 2.745 2.590 2.838 . 0 0 "[ . 1 . 2]" 1
1997 2 16 PRO HA 2 21 GLN H . . 5.500 5.080 4.847 5.355 . 0 0 "[ . 1 . 2]" 1
1998 2 16 PRO HD3 2 21 GLN QB . . 4.550 4.403 4.321 4.509 . 0 0 "[ . 1 . 2]" 1
1999 2 16 PRO QB 2 21 GLN H . . 5.000 4.178 4.059 4.350 . 0 0 "[ . 1 . 2]" 1
2000 2 16 PRO QB 2 22 VAL HA . . 3.860 2.704 2.545 2.820 . 0 0 "[ . 1 . 2]" 1
2001 2 16 PRO HG2 2 22 VAL HA . . 4.190 4.128 3.819 4.277 0.087 13 0 "[ . 1 . 2]" 1
2002 2 16 PRO HD3 2 22 VAL MG2 . . 4.460 4.284 4.162 4.410 . 0 0 "[ . 1 . 2]" 1
2003 2 16 PRO HG2 2 22 VAL MG2 . . 3.420 2.439 2.210 2.579 . 0 0 "[ . 1 . 2]" 1
2004 2 16 PRO HG3 2 22 VAL MG2 . . 3.560 2.300 2.149 2.468 . 0 0 "[ . 1 . 2]" 1
2005 2 16 PRO QB 2 22 VAL MG2 . . 3.020 1.912 1.835 2.057 . 0 0 "[ . 1 . 2]" 1
2006 2 16 PRO HA 2 22 VAL H . . 4.820 4.608 4.376 4.839 0.019 11 0 "[ . 1 . 2]" 1
2007 2 16 PRO HD2 2 22 VAL MG2 . . 4.620 4.311 4.088 4.464 . 0 0 "[ . 1 . 2]" 1
2008 2 16 PRO HG2 2 22 VAL H . . 5.370 4.926 4.648 5.097 . 0 0 "[ . 1 . 2]" 1
2009 2 16 PRO HG3 2 22 VAL H . . 4.860 4.506 4.207 4.700 . 0 0 "[ . 1 . 2]" 1
2010 2 16 PRO QB 2 22 VAL H . . 3.300 2.699 2.588 2.817 . 0 0 "[ . 1 . 2]" 1
2011 2 16 PRO HG3 2 22 VAL HA . . 3.610 2.864 2.495 3.033 . 0 0 "[ . 1 . 2]" 1
2012 2 16 PRO HG3 2 25 LEU QD . . 3.170 2.476 2.174 2.761 . 0 0 "[ . 1 . 2]" 1
2013 2 16 PRO HG2 2 25 LEU QD . . 4.000 3.807 3.545 4.010 0.010 15 0 "[ . 1 . 2]" 1
2014 2 16 PRO HD3 2 25 LEU QD . . 4.500 2.173 2.013 2.322 . 0 0 "[ . 1 . 2]" 1
2015 2 16 PRO HD3 2 25 LEU QB . . 4.610 4.392 4.153 4.567 . 0 0 "[ . 1 . 2]" 1
2016 2 16 PRO HD2 2 25 LEU QD . . 5.120 3.516 3.366 3.675 . 0 0 "[ . 1 . 2]" 1
2017 2 16 PRO HD3 2 25 LEU HG . . 5.240 4.783 4.447 4.980 . 0 0 "[ . 1 . 2]" 1
2018 2 16 PRO QB 2 25 LEU QD . . 3.300 2.429 1.973 2.648 . 0 0 "[ . 1 . 2]" 1
2019 2 16 PRO QB 2 45 PRO HA . . 3.900 3.197 2.862 3.486 . 0 0 "[ . 1 . 2]" 1
2020 2 16 PRO HG2 2 46 GLY H . . 4.390 2.212 1.946 2.542 . 0 0 "[ . 1 . 2]" 1
2021 2 16 PRO HD2 2 46 GLY H . . 3.520 3.463 3.363 3.554 0.034 19 0 "[ . 1 . 2]" 1
2022 2 16 PRO QB 2 46 GLY H . . 3.980 3.379 3.111 3.643 . 0 0 "[ . 1 . 2]" 1
2023 2 16 PRO HG3 2 46 GLY H . . 4.300 3.981 3.709 4.309 0.009 17 0 "[ . 1 . 2]" 1
2024 2 16 PRO HD3 2 47 GLN H . . 5.340 5.115 4.755 5.340 0.000 3 0 "[ . 1 . 2]" 1
2025 2 16 PRO HG2 2 47 GLN H . . 4.120 3.239 2.808 3.521 . 0 0 "[ . 1 . 2]" 1
2026 2 16 PRO HG3 2 47 GLN H . . 4.870 4.584 4.044 4.884 0.014 17 0 "[ . 1 . 2]" 1
2027 2 16 PRO HD2 2 47 GLN H . . 4.080 3.493 3.244 3.724 . 0 0 "[ . 1 . 2]" 1
2028 2 16 PRO HD2 2 49 VAL QG . . 4.000 3.206 2.670 4.090 0.090 1 0 "[ . 1 . 2]" 1
2029 2 16 PRO HD3 2 49 VAL H . . 4.750 3.991 3.692 4.459 . 0 0 "[ . 1 . 2]" 1
2030 2 16 PRO HD3 2 49 VAL QG . . 3.890 2.924 2.418 3.619 . 0 0 "[ . 1 . 2]" 1
2031 2 16 PRO HD2 2 49 VAL H . . 4.760 3.844 3.601 4.267 . 0 0 "[ . 1 . 2]" 1
2032 2 17 THR H 2 17 THR MG . . 3.100 2.709 2.576 3.055 . 0 0 "[ . 1 . 2]" 1
2033 2 17 THR H 2 17 THR HB . . 3.950 3.837 3.737 3.873 . 0 0 "[ . 1 . 2]" 1
2034 2 17 THR HA 2 17 THR MG . . 2.970 2.425 2.179 2.539 . 0 0 "[ . 1 . 2]" 1
2035 2 17 THR HB 2 18 ASN H . . 5.100 4.496 4.250 4.565 . 0 0 "[ . 1 . 2]" 1
2036 2 17 THR H 2 18 ASN H . . 2.950 2.268 2.038 2.379 . 0 0 "[ . 1 . 2]" 1
2037 2 17 THR MG 2 18 ASN H . . 4.310 4.195 4.117 4.302 . 0 0 "[ . 1 . 2]" 1
2038 2 17 THR HA 2 18 ASN H . . 3.460 3.057 2.991 3.276 . 0 0 "[ . 1 . 2]" 1
2039 2 17 THR H 2 21 GLN H . . 4.630 4.375 4.117 4.625 . 0 0 "[ . 1 . 2]" 1
2040 2 17 THR H 2 21 GLN HG2 . . 4.310 3.634 2.677 4.705 0.395 11 0 "[ . 1 . 2]" 1
2041 2 17 THR MG 2 21 GLN HE22 . . 4.800 4.409 3.591 5.234 0.434 10 0 "[ . 1 . 2]" 1
2042 2 17 THR H 2 21 GLN HE22 . . 5.500 4.593 4.089 5.240 . 0 0 "[ . 1 . 2]" 1
2043 2 17 THR H 2 21 GLN QB . . 3.610 2.454 2.296 2.701 . 0 0 "[ . 1 . 2]" 1
2044 2 17 THR H 2 21 GLN HE21 . . 5.500 4.324 3.613 4.891 . 0 0 "[ . 1 . 2]" 1
2045 2 17 THR MG 2 21 GLN HE21 . . 5.200 4.676 3.717 5.172 . 0 0 "[ . 1 . 2]" 1
2046 2 17 THR H 2 22 VAL H . . 4.680 4.638 4.469 4.720 0.040 9 0 "[ . 1 . 2]" 1
2047 2 17 THR HA 2 45 PRO HA . . 5.330 4.853 4.431 5.172 . 0 0 "[ . 1 . 2]" 1
2048 2 17 THR HA 2 46 GLY H . . 4.110 3.649 3.413 3.880 . 0 0 "[ . 1 . 2]" 1
2049 2 17 THR MG 2 46 GLY H . . 4.720 4.472 4.223 4.715 . 0 0 "[ . 1 . 2]" 1
2050 2 17 THR H 2 70 ILE MD . . 5.500 5.361 5.052 5.514 0.014 13 0 "[ . 1 . 2]" 1
2051 2 17 THR MG 2 70 ILE HA . . 4.930 4.957 4.928 5.000 0.070 11 0 "[ . 1 . 2]" 1
2052 2 17 THR H 2 70 ILE MG . . 4.120 4.101 3.923 4.178 0.058 1 0 "[ . 1 . 2]" 1
2053 2 17 THR MG 2 71 PRO HG3 . . 2.990 2.548 2.271 2.826 . 0 0 "[ . 1 . 2]" 1
2054 2 17 THR MG 2 71 PRO HG2 . . 3.300 3.048 2.920 3.296 . 0 0 "[ . 1 . 2]" 1
2055 2 17 THR MG 2 71 PRO HD3 . . 3.870 3.676 3.520 3.815 . 0 0 "[ . 1 . 2]" 1
2056 2 17 THR H 2 71 PRO HD2 . . 4.630 4.494 4.425 4.575 . 0 0 "[ . 1 . 2]" 1
2057 2 17 THR H 2 71 PRO HD3 . . 5.500 5.491 5.378 5.549 0.049 11 0 "[ . 1 . 2]" 1
2058 2 17 THR MG 2 71 PRO HD2 . . 3.730 3.439 3.397 3.562 . 0 0 "[ . 1 . 2]" 1
2059 2 18 ASN HB3 2 18 ASN HD21 . . 3.610 2.471 2.115 3.487 . 0 0 "[ . 1 . 2]" 1
2060 2 18 ASN HA 2 19 GLU H . . 2.890 2.443 2.360 2.583 . 0 0 "[ . 1 . 2]" 1
2061 2 18 ASN H 2 19 GLU H . . 4.560 4.339 4.308 4.366 . 0 0 "[ . 1 . 2]" 1
2062 2 18 ASN HB2 2 19 GLU H . . 3.730 3.127 2.121 3.842 0.112 17 0 "[ . 1 . 2]" 1
2063 2 18 ASN HB3 2 19 GLU H . . 3.770 3.507 3.169 3.727 . 0 0 "[ . 1 . 2]" 1
2064 2 18 ASN HD21 2 20 GLU QB . . 4.500 2.579 1.887 4.529 0.029 12 0 "[ . 1 . 2]" 1
2065 2 18 ASN HD22 2 20 GLU QB . . 4.500 2.932 2.123 3.830 . 0 0 "[ . 1 . 2]" 1
2066 2 18 ASN HD21 2 20 GLU H . . 5.300 2.893 1.892 5.276 . 0 0 "[ . 1 . 2]" 1
2067 2 18 ASN HB3 2 20 GLU H . . 4.800 3.647 3.020 4.384 . 0 0 "[ . 1 . 2]" 1
2068 2 18 ASN HD22 2 20 GLU H . . 5.300 3.489 2.453 5.228 . 0 0 "[ . 1 . 2]" 1
2069 2 18 ASN HB2 2 20 GLU H . . 4.800 3.618 2.458 4.462 . 0 0 "[ . 1 . 2]" 1
2070 2 18 ASN H 2 21 GLN QB . . 3.200 2.634 2.362 2.866 . 0 0 "[ . 1 . 2]" 1
2071 2 18 ASN H 2 21 GLN H . . 3.850 3.703 3.403 3.876 0.026 11 0 "[ . 1 . 2]" 1
2072 2 18 ASN HD21 2 21 GLN H . . 4.280 3.432 1.901 4.889 0.609 13 1 "[ . 1 + . 2]" 1
2073 2 18 ASN H 2 22 VAL HA . . 5.500 5.532 5.452 5.585 0.085 1 0 "[ . 1 . 2]" 1
2074 2 18 ASN H 2 22 VAL H . . 3.820 3.541 3.481 3.610 . 0 0 "[ . 1 . 2]" 1
2075 2 18 ASN H 2 22 VAL MG2 . . 4.500 3.044 2.829 3.197 . 0 0 "[ . 1 . 2]" 1
2076 2 18 ASN H 2 45 PRO HA . . 5.200 4.523 4.316 4.801 . 0 0 "[ . 1 . 2]" 1
2077 2 19 GLU H 2 19 GLU HG3 . . 5.000 3.201 2.004 4.614 . 0 0 "[ . 1 . 2]" 1
2078 2 19 GLU H 2 19 GLU QB . . 3.430 2.412 2.133 2.629 . 0 0 "[ . 1 . 2]" 1
2079 2 19 GLU HA 2 19 GLU HG3 . . 4.200 3.299 2.194 3.897 . 0 0 "[ . 1 . 2]" 1
2080 2 19 GLU H 2 19 GLU HG2 . . 5.000 3.103 1.959 4.628 . 0 0 "[ . 1 . 2]" 1
2081 2 19 GLU HA 2 19 GLU HG2 . . 4.200 2.938 2.270 3.729 . 0 0 "[ . 1 . 2]" 1
2082 2 19 GLU HG2 2 20 GLU H . . 5.000 4.193 2.189 4.989 . 0 0 "[ . 1 . 2]" 1
2083 2 19 GLU HG3 2 20 GLU H . . 5.000 4.158 2.170 4.975 . 0 0 "[ . 1 . 2]" 1
2084 2 19 GLU H 2 20 GLU H . . 3.690 2.736 2.677 2.788 . 0 0 "[ . 1 . 2]" 1
2085 2 19 GLU HA 2 22 VAL MG2 . . 3.200 3.221 3.187 3.238 0.038 15 0 "[ . 1 . 2]" 1
2086 2 19 GLU HA 2 22 VAL HB . . 3.220 2.576 2.382 2.646 . 0 0 "[ . 1 . 2]" 1
2087 2 19 GLU HA 2 22 VAL HA . . 5.430 5.404 5.274 5.459 0.029 10 0 "[ . 1 . 2]" 1
2088 2 19 GLU HA 2 22 VAL MG1 . . 4.500 3.918 3.695 4.012 . 0 0 "[ . 1 . 2]" 1
2089 2 19 GLU HA 2 22 VAL H . . 3.630 3.586 3.539 3.646 0.016 13 0 "[ . 1 . 2]" 1
2090 2 19 GLU H 2 22 VAL H . . 5.170 4.907 4.880 4.937 . 0 0 "[ . 1 . 2]" 1
2091 2 19 GLU HA 2 23 ALA MB . . 4.410 4.149 4.024 4.357 . 0 0 "[ . 1 . 2]" 1
2092 2 19 GLU HA 2 23 ALA H . . 3.800 3.578 3.447 3.721 . 0 0 "[ . 1 . 2]" 1
2093 2 20 GLU H 2 20 GLU QG . . 4.180 3.673 1.929 4.055 . 0 0 "[ . 1 . 2]" 1
2094 2 20 GLU H 2 20 GLU QB . . 3.200 2.242 2.073 2.669 . 0 0 "[ . 1 . 2]" 1
2095 2 20 GLU HA 2 20 GLU QG . . 3.240 2.561 2.230 3.189 . 0 0 "[ . 1 . 2]" 1
2096 2 20 GLU QB 2 21 GLN H . . 3.500 2.342 2.197 2.414 . 0 0 "[ . 1 . 2]" 1
2097 2 20 GLU QG 2 21 GLN H . . 4.200 3.729 3.251 4.236 0.036 16 0 "[ . 1 . 2]" 1
2098 2 20 GLU H 2 22 VAL MG2 . . 5.200 5.086 4.943 5.193 . 0 0 "[ . 1 . 2]" 1
2099 2 20 GLU H 2 22 VAL H . . 4.330 4.252 4.120 4.341 0.011 15 0 "[ . 1 . 2]" 1
2100 2 20 GLU HA 2 23 ALA MB . . 3.270 2.936 2.740 3.046 . 0 0 "[ . 1 . 2]" 1
2101 2 20 GLU H 2 23 ALA MB . . 4.840 4.637 4.555 4.696 . 0 0 "[ . 1 . 2]" 1
2102 2 20 GLU HA 2 23 ALA H . . 4.150 3.891 3.767 3.992 . 0 0 "[ . 1 . 2]" 1
2103 2 20 GLU HA 2 24 PHE HB2 . . 4.930 4.739 4.364 4.958 0.028 4 0 "[ . 1 . 2]" 1
2104 2 21 GLN HE22 2 21 GLN HG2 . . 4.030 3.565 3.437 3.941 . 0 0 "[ . 1 . 2]" 1
2105 2 21 GLN H 2 21 GLN HG3 . . 4.500 2.758 2.309 4.086 . 0 0 "[ . 1 . 2]" 1
2106 2 21 GLN H 2 21 GLN HG2 . . 4.000 2.423 1.921 4.211 0.211 13 0 "[ . 1 . 2]" 1
2107 2 21 GLN HA 2 21 GLN HG3 . . 4.210 3.607 2.323 3.837 . 0 0 "[ . 1 . 2]" 1
2108 2 21 GLN HA 2 21 GLN HE21 . . 5.090 4.287 3.943 4.776 . 0 0 "[ . 1 . 2]" 1
2109 2 21 GLN H 2 21 GLN HE21 . . 5.500 4.693 4.384 5.252 . 0 0 "[ . 1 . 2]" 1
2110 2 21 GLN QB 2 21 GLN HE22 . . 4.500 3.981 3.866 4.240 . 0 0 "[ . 1 . 2]" 1
2111 2 21 GLN H 2 21 GLN QB . . 3.060 2.569 2.084 2.644 . 0 0 "[ . 1 . 2]" 1
2112 2 21 GLN HA 2 21 GLN HG2 . . 4.000 2.765 2.509 3.565 . 0 0 "[ . 1 . 2]" 1
2113 2 21 GLN H 2 22 VAL H . . 3.160 2.741 2.688 2.805 . 0 0 "[ . 1 . 2]" 1
2114 2 21 GLN H 2 22 VAL HB . . 4.830 4.849 4.777 4.894 0.064 17 0 "[ . 1 . 2]" 1
2115 2 21 GLN HG3 2 22 VAL H . . 5.070 4.215 3.893 4.862 . 0 0 "[ . 1 . 2]" 1
2116 2 21 GLN QB 2 22 VAL H . . 4.220 2.392 2.315 2.534 . 0 0 "[ . 1 . 2]" 1
2117 2 21 GLN H 2 22 VAL HA . . 5.450 5.329 5.287 5.376 . 0 0 "[ . 1 . 2]" 1
2118 2 21 GLN HG2 2 22 VAL H . . 4.730 4.370 3.956 5.008 0.278 11 0 "[ . 1 . 2]" 1
2119 2 21 GLN QB 2 23 ALA H . . 5.020 4.810 4.706 4.894 . 0 0 "[ . 1 . 2]" 1
2120 2 21 GLN H 2 23 ALA MB . . 5.500 4.949 4.845 5.019 . 0 0 "[ . 1 . 2]" 1
2121 2 21 GLN H 2 23 ALA H . . 4.520 4.348 4.208 4.434 . 0 0 "[ . 1 . 2]" 1
2122 2 21 GLN HA 2 24 PHE HB2 . . 4.150 3.647 3.443 4.031 . 0 0 "[ . 1 . 2]" 1
2123 2 21 GLN HA 2 24 PHE HB3 . . 3.970 2.692 2.499 2.842 . 0 0 "[ . 1 . 2]" 1
2124 2 21 GLN H 2 24 PHE H . . 4.730 4.689 4.597 4.755 0.025 18 0 "[ . 1 . 2]" 1
2125 2 21 GLN HA 2 24 PHE H . . 3.770 3.598 3.468 3.674 . 0 0 "[ . 1 . 2]" 1
2126 2 21 GLN HA 2 24 PHE QD . . 4.500 4.153 3.330 4.457 . 0 0 "[ . 1 . 2]" 1
2127 2 21 GLN QB 2 25 LEU H . . 5.300 4.722 4.576 4.835 . 0 0 "[ . 1 . 2]" 1
2128 2 21 GLN QB 2 25 LEU QD . . 3.960 3.019 2.756 3.191 . 0 0 "[ . 1 . 2]" 1
2129 2 21 GLN HA 2 70 ILE MG . . 4.330 3.965 3.836 4.267 . 0 0 "[ . 1 . 2]" 1
2130 2 21 GLN HE21 2 70 ILE HG13 . . 5.500 4.193 3.560 4.934 . 0 0 "[ . 1 . 2]" 1
2131 2 21 GLN HE22 2 70 ILE HG12 . . 4.860 2.498 1.933 3.282 . 0 0 "[ . 1 . 2]" 1
2132 2 21 GLN HE22 2 70 ILE MD . . 5.200 3.860 3.421 4.435 . 0 0 "[ . 1 . 2]" 1
2133 2 21 GLN QB 2 70 ILE MD . . 4.640 2.688 2.328 3.450 . 0 0 "[ . 1 . 2]" 1
2134 2 21 GLN HE22 2 70 ILE HA . . 4.500 2.145 1.922 3.558 . 0 0 "[ . 1 . 2]" 1
2135 2 21 GLN HG2 2 70 ILE MG . . 5.500 3.855 2.030 4.456 . 0 0 "[ . 1 . 2]" 1
2136 2 21 GLN HE21 2 70 ILE HG12 . . 4.960 2.566 2.005 3.268 . 0 0 "[ . 1 . 2]" 1
2137 2 21 GLN HE22 2 70 ILE HG13 . . 5.290 3.991 3.445 4.762 . 0 0 "[ . 1 . 2]" 1
2138 2 21 GLN HE21 2 70 ILE MG . . 4.750 3.165 2.701 3.464 . 0 0 "[ . 1 . 2]" 1
2139 2 21 GLN HA 2 70 ILE MD . . 3.570 2.524 2.409 2.718 . 0 0 "[ . 1 . 2]" 1
2140 2 21 GLN HG2 2 70 ILE MD . . 4.010 3.674 2.279 4.536 0.526 18 1 "[ . 1 . + 2]" 1
2141 2 21 GLN H 2 70 ILE MD . . 4.800 4.775 4.592 4.910 0.110 13 0 "[ . 1 . 2]" 1
2142 2 21 GLN HE22 2 70 ILE MG . . 4.790 2.826 2.520 4.146 . 0 0 "[ . 1 . 2]" 1
2143 2 21 GLN HE21 2 70 ILE H . . 5.130 5.040 4.234 5.199 0.069 18 0 "[ . 1 . 2]" 1
2144 2 21 GLN H 2 70 ILE MG . . 5.420 5.430 5.300 5.473 0.053 13 0 "[ . 1 . 2]" 1
2145 2 21 GLN HE21 2 70 ILE MD . . 5.200 3.704 3.322 4.163 . 0 0 "[ . 1 . 2]" 1
2146 2 21 GLN HE22 2 70 ILE H . . 4.860 4.402 3.761 5.161 0.301 13 0 "[ . 1 . 2]" 1
2147 2 21 GLN HE21 2 70 ILE HA . . 4.500 3.051 2.198 3.384 . 0 0 "[ . 1 . 2]" 1
2148 2 21 GLN QB 2 70 ILE MG . . 4.120 2.618 2.437 3.231 . 0 0 "[ . 1 . 2]" 1
2149 2 21 GLN HE21 2 71 PRO HD2 . . 4.920 3.648 2.669 4.163 . 0 0 "[ . 1 . 2]" 1
2150 2 21 GLN HE22 2 71 PRO HD2 . . 4.700 2.843 2.248 4.455 . 0 0 "[ . 1 . 2]" 1
2151 2 21 GLN HE22 2 71 PRO HD3 . . 5.020 3.036 2.389 4.413 . 0 0 "[ . 1 . 2]" 1
2152 2 21 GLN HE21 2 71 PRO HD3 . . 5.470 4.001 3.033 4.577 . 0 0 "[ . 1 . 2]" 1
2153 2 22 VAL H 2 22 VAL MG1 . . 3.800 3.757 3.752 3.762 . 0 0 "[ . 1 . 2]" 1
2154 2 22 VAL HA 2 22 VAL MG2 . . 2.920 2.266 2.205 2.362 . 0 0 "[ . 1 . 2]" 1
2155 2 22 VAL H 2 22 VAL MG2 . . 3.000 2.227 2.107 2.378 . 0 0 "[ . 1 . 2]" 1
2156 2 22 VAL H 2 22 VAL HB . . 2.780 2.488 2.456 2.521 . 0 0 "[ . 1 . 2]" 1
2157 2 22 VAL HA 2 22 VAL MG1 . . 3.120 2.435 2.419 2.451 . 0 0 "[ . 1 . 2]" 1
2158 2 22 VAL HB 2 23 ALA H . . 3.020 2.393 2.327 2.554 . 0 0 "[ . 1 . 2]" 1
2159 2 22 VAL MG1 2 23 ALA HA . . 4.000 3.168 3.093 3.238 . 0 0 "[ . 1 . 2]" 1
2160 2 22 VAL MG1 2 23 ALA MB . . 3.840 3.802 3.710 3.855 0.015 18 0 "[ . 1 . 2]" 1
2161 2 22 VAL H 2 23 ALA MB . . 4.550 4.441 4.332 4.509 . 0 0 "[ . 1 . 2]" 1
2162 2 22 VAL H 2 23 ALA H . . 3.130 2.833 2.772 2.900 . 0 0 "[ . 1 . 2]" 1
2163 2 22 VAL MG1 2 23 ALA H . . 3.500 3.087 2.975 3.237 . 0 0 "[ . 1 . 2]" 1
2164 2 22 VAL MG2 2 23 ALA H . . 4.000 3.810 3.754 3.874 . 0 0 "[ . 1 . 2]" 1
2165 2 22 VAL HA 2 24 PHE H . . 4.690 4.370 4.257 4.481 . 0 0 "[ . 1 . 2]" 1
2166 2 22 VAL H 2 24 PHE H . . 4.260 4.089 3.979 4.179 . 0 0 "[ . 1 . 2]" 1
2167 2 22 VAL HA 2 25 LEU QD . . 3.520 2.909 2.495 3.156 . 0 0 "[ . 1 . 2]" 1
2168 2 22 VAL H 2 25 LEU QD . . 4.480 4.301 4.034 4.423 . 0 0 "[ . 1 . 2]" 1
2169 2 22 VAL HA 2 25 LEU H . . 3.830 3.546 3.506 3.608 . 0 0 "[ . 1 . 2]" 1
2170 2 22 VAL MG1 2 26 GLU HG2 . . 4.650 3.661 3.576 3.723 . 0 0 "[ . 1 . 2]" 1
2171 2 22 VAL MG1 2 26 GLU HG3 . . 4.650 4.702 4.680 4.737 0.087 11 0 "[ . 1 . 2]" 1
2172 2 22 VAL MG1 2 26 GLU HB2 . . 5.000 4.436 4.358 4.572 . 0 0 "[ . 1 . 2]" 1
2173 2 22 VAL MG1 2 26 GLU H . . 4.270 3.796 3.723 3.930 . 0 0 "[ . 1 . 2]" 1
2174 2 22 VAL MG1 2 26 GLU HB3 . . 4.160 3.174 3.094 3.305 . 0 0 "[ . 1 . 2]" 1
2175 2 22 VAL HA 2 26 GLU H . . 4.150 3.881 3.814 3.976 . 0 0 "[ . 1 . 2]" 1
2176 2 22 VAL MG1 2 26 GLU HA . . 5.500 5.162 5.085 5.268 . 0 0 "[ . 1 . 2]" 1
2177 2 22 VAL MG1 2 43 THR H . . 4.680 4.112 3.902 4.547 . 0 0 "[ . 1 . 2]" 1
2178 2 22 VAL MG1 2 43 THR HA . . 4.800 2.621 2.330 2.837 . 0 0 "[ . 1 . 2]" 1
2179 2 22 VAL MG2 2 44 GLU H . . 4.850 4.779 4.415 4.891 0.041 12 0 "[ . 1 . 2]" 1
2180 2 22 VAL MG2 2 44 GLU HA . . 4.350 4.321 3.969 4.405 0.055 2 0 "[ . 1 . 2]" 1
2181 2 22 VAL MG2 2 45 PRO HD2 . . 4.500 4.320 3.988 4.539 0.039 17 0 "[ . 1 . 2]" 1
2182 2 22 VAL MG2 2 45 PRO HB2 . . 3.590 3.453 3.154 3.876 0.286 12 0 "[ . 1 . 2]" 1
2183 2 22 VAL MG2 2 45 PRO HD3 . . 4.300 3.084 2.717 3.380 . 0 0 "[ . 1 . 2]" 1
2184 2 22 VAL MG2 2 45 PRO HB3 . . 3.850 2.169 1.886 2.637 . 0 0 "[ . 1 . 2]" 1
2185 2 22 VAL HA 2 45 PRO HA . . 5.180 4.918 4.646 5.188 0.008 12 0 "[ . 1 . 2]" 1
2186 2 22 VAL MG2 2 45 PRO HA . . 3.470 2.168 2.000 2.399 . 0 0 "[ . 1 . 2]" 1
2187 2 22 VAL MG2 2 46 GLY H . . 4.500 3.523 3.339 3.840 . 0 0 "[ . 1 . 2]" 1
2188 2 22 VAL MG2 2 47 GLN H . . 5.350 4.583 4.210 4.850 . 0 0 "[ . 1 . 2]" 1
2189 2 23 ALA H 2 23 ALA MB . . 2.560 2.201 2.115 2.232 . 0 0 "[ . 1 . 2]" 1
2190 2 23 ALA MB 2 24 PHE H . . 2.960 2.613 2.540 2.696 . 0 0 "[ . 1 . 2]" 1
2191 2 23 ALA H 2 24 PHE H . . 3.260 2.723 2.642 2.772 . 0 0 "[ . 1 . 2]" 1
2192 2 23 ALA H 2 24 PHE HB2 . . 5.500 5.209 5.056 5.524 0.024 5 0 "[ . 1 . 2]" 1
2193 2 23 ALA H 2 24 PHE HB3 . . 5.500 4.886 4.646 4.995 . 0 0 "[ . 1 . 2]" 1
2194 2 23 ALA MB 2 24 PHE HB2 . . 4.410 4.144 4.053 4.301 . 0 0 "[ . 1 . 2]" 1
2195 2 23 ALA MB 2 24 PHE HA . . 4.030 3.818 3.786 3.860 . 0 0 "[ . 1 . 2]" 1
2196 2 23 ALA MB 2 24 PHE HB3 . . 5.040 4.617 4.356 4.724 . 0 0 "[ . 1 . 2]" 1
2197 2 23 ALA H 2 25 LEU H . . 4.640 4.297 4.183 4.483 . 0 0 "[ . 1 . 2]" 1
2198 2 23 ALA HA 2 25 LEU H . . 4.890 4.521 4.407 4.736 . 0 0 "[ . 1 . 2]" 1
2199 2 23 ALA MB 2 26 GLU HG3 . . 4.880 4.327 4.251 4.420 . 0 0 "[ . 1 . 2]" 1
2200 2 23 ALA H 2 26 GLU H . . 5.050 4.808 4.754 4.850 . 0 0 "[ . 1 . 2]" 1
2201 2 23 ALA HA 2 26 GLU HB3 . . 3.860 3.886 3.840 3.924 0.064 9 0 "[ . 1 . 2]" 1
2202 2 23 ALA HA 2 26 GLU H . . 4.000 3.681 3.623 3.758 . 0 0 "[ . 1 . 2]" 1
2203 2 23 ALA HA 2 26 GLU HG3 . . 3.570 3.220 3.152 3.283 . 0 0 "[ . 1 . 2]" 1
2204 2 23 ALA MB 2 26 GLU H . . 4.800 4.828 4.792 4.866 0.066 20 0 "[ . 1 . 2]" 1
2205 2 23 ALA HA 2 26 GLU HG2 . . 3.670 1.954 1.938 1.971 . 0 0 "[ . 1 . 2]" 1
2206 2 23 ALA HA 2 26 GLU HB2 . . 4.690 4.658 4.635 4.697 0.007 3 0 "[ . 1 . 2]" 1
2207 2 23 ALA HA 2 27 ALA H . . 4.060 3.914 3.860 3.972 . 0 0 "[ . 1 . 2]" 1
2208 2 23 ALA MB 2 27 ALA H . . 4.810 4.565 4.533 4.610 . 0 0 "[ . 1 . 2]" 1
2209 2 24 PHE H 2 24 PHE HB2 . . 3.030 2.637 2.534 2.956 . 0 0 "[ . 1 . 2]" 1
2210 2 24 PHE HA 2 24 PHE QD . . 3.480 2.980 2.917 3.053 . 0 0 "[ . 1 . 2]" 1
2211 2 24 PHE H 2 24 PHE QD . . 4.000 4.148 3.917 4.187 0.187 15 0 "[ . 1 . 2]" 1
2212 2 24 PHE H 2 24 PHE HB3 . . 2.980 2.443 2.200 2.529 . 0 0 "[ . 1 . 2]" 1
2213 2 24 PHE QD 2 25 LEU H . . 3.590 3.160 2.677 3.378 . 0 0 "[ . 1 . 2]" 1
2214 2 24 PHE H 2 25 LEU QD . . 5.430 4.262 3.864 4.878 . 0 0 "[ . 1 . 2]" 1
2215 2 24 PHE QD 2 25 LEU QD . . 3.360 2.192 1.870 2.856 . 0 0 "[ . 1 . 2]" 1
2216 2 24 PHE HB3 2 25 LEU H . . 3.490 2.583 2.395 2.763 . 0 0 "[ . 1 . 2]" 1
2217 2 24 PHE QD 2 25 LEU HG . . 4.500 3.540 2.068 4.249 . 0 0 "[ . 1 . 2]" 1
2218 2 24 PHE H 2 25 LEU H . . 3.210 2.658 2.598 2.711 . 0 0 "[ . 1 . 2]" 1
2219 2 24 PHE HB3 2 25 LEU QD . . 4.900 3.177 2.541 4.267 . 0 0 "[ . 1 . 2]" 1
2220 2 24 PHE HB3 2 25 LEU HG . . 5.430 4.717 3.386 5.523 0.093 15 0 "[ . 1 . 2]" 1
2221 2 24 PHE HB2 2 25 LEU QD . . 5.500 4.541 4.032 5.315 . 0 0 "[ . 1 . 2]" 1
2222 2 24 PHE HB2 2 25 LEU H . . 4.060 3.903 3.785 4.061 0.001 4 0 "[ . 1 . 2]" 1
2223 2 24 PHE HA 2 26 GLU H . . 4.890 4.777 4.598 4.866 . 0 0 "[ . 1 . 2]" 1
2224 2 24 PHE H 2 26 GLU H . . 4.430 4.247 4.082 4.342 . 0 0 "[ . 1 . 2]" 1
2225 2 24 PHE HA 2 27 ALA MB . . 3.330 2.467 2.401 2.513 . 0 0 "[ . 1 . 2]" 1
2226 2 24 PHE HA 2 27 ALA H . . 3.820 3.600 3.518 3.657 . 0 0 "[ . 1 . 2]" 1
2227 2 24 PHE H 2 27 ALA H . . 4.740 4.555 4.486 4.602 . 0 0 "[ . 1 . 2]" 1
2228 2 24 PHE QD 2 27 ALA MB . . 4.540 4.346 4.276 4.419 . 0 0 "[ . 1 . 2]" 1
2229 2 24 PHE QE 2 28 LEU HB2 . . 4.800 4.814 4.800 4.831 0.031 5 0 "[ . 1 . 2]" 1
2230 2 24 PHE HA 2 28 LEU H . . 4.800 3.983 3.903 4.111 . 0 0 "[ . 1 . 2]" 1
2231 2 24 PHE QD 2 28 LEU HB3 . . 4.500 4.248 4.187 4.366 . 0 0 "[ . 1 . 2]" 1
2232 2 24 PHE QD 2 28 LEU H . . 5.500 4.838 4.723 4.888 . 0 0 "[ . 1 . 2]" 1
2233 2 24 PHE QE 2 64 MET QG . . 4.500 2.859 2.470 4.284 . 0 0 "[ . 1 . 2]" 1
2234 2 24 PHE QE 2 64 MET QB . . 4.370 4.346 4.227 4.439 0.069 9 0 "[ . 1 . 2]" 1
2235 2 24 PHE QE 2 64 MET ME . . 3.570 2.849 2.331 3.040 . 0 0 "[ . 1 . 2]" 1
2236 2 24 PHE QD 2 68 LYS QE . . 4.200 2.945 2.372 3.907 . 0 0 "[ . 1 . 2]" 1
2237 2 24 PHE QE 2 68 LYS QE . . 4.200 2.529 2.010 3.607 . 0 0 "[ . 1 . 2]" 1
2238 2 24 PHE QE 2 68 LYS HG3 . . 4.200 3.239 2.875 3.662 . 0 0 "[ . 1 . 2]" 1
2239 2 24 PHE QD 2 68 LYS HG3 . . 4.200 3.576 3.143 3.787 . 0 0 "[ . 1 . 2]" 1
2240 2 24 PHE QE 2 68 LYS HG2 . . 4.200 3.852 3.542 4.013 . 0 0 "[ . 1 . 2]" 1
2241 2 24 PHE QD 2 70 ILE MD . . 3.000 2.654 2.284 2.861 . 0 0 "[ . 1 . 2]" 1
2242 2 24 PHE H 2 70 ILE MD . . 5.160 4.851 4.662 5.040 . 0 0 "[ . 1 . 2]" 1
2243 2 24 PHE HB3 2 70 ILE MD . . 3.950 3.037 2.800 3.240 . 0 0 "[ . 1 . 2]" 1
2244 2 24 PHE HB2 2 70 ILE MD . . 4.170 3.917 3.647 4.189 0.019 11 0 "[ . 1 . 2]" 1
2245 2 24 PHE QD 2 70 ILE MG . . 4.800 4.559 3.942 4.803 0.003 11 0 "[ . 1 . 2]" 1
2246 2 25 LEU HA 2 25 LEU HG . . 3.850 2.796 2.661 3.036 . 0 0 "[ . 1 . 2]" 1
2247 2 25 LEU HA 2 25 LEU QD . . 3.070 2.142 1.962 2.256 . 0 0 "[ . 1 . 2]" 1
2248 2 25 LEU H 2 25 LEU QD . . 3.510 2.537 2.034 3.230 . 0 0 "[ . 1 . 2]" 1
2249 2 25 LEU H 2 25 LEU QB . . 3.430 2.233 2.142 2.393 . 0 0 "[ . 1 . 2]" 1
2250 2 25 LEU H 2 25 LEU HG . . 4.200 3.469 2.367 4.185 . 0 0 "[ . 1 . 2]" 1
2251 2 25 LEU QD 2 26 GLU H . . 4.800 3.849 3.764 4.021 . 0 0 "[ . 1 . 2]" 1
2252 2 25 LEU QB 2 26 GLU H . . 3.660 2.456 2.348 2.574 . 0 0 "[ . 1 . 2]" 1
2253 2 25 LEU H 2 26 GLU HA . . 5.410 5.287 5.259 5.351 . 0 0 "[ . 1 . 2]" 1
2254 2 25 LEU HG 2 26 GLU H . . 5.200 4.765 4.329 5.076 . 0 0 "[ . 1 . 2]" 1
2255 2 25 LEU H 2 26 GLU H . . 3.190 2.687 2.645 2.763 . 0 0 "[ . 1 . 2]" 1
2256 2 25 LEU H 2 27 ALA H . . 4.170 3.820 3.748 3.944 . 0 0 "[ . 1 . 2]" 1
2257 2 25 LEU QB 2 27 ALA H . . 4.670 4.378 4.319 4.507 . 0 0 "[ . 1 . 2]" 1
2258 2 25 LEU H 2 27 ALA MB . . 4.690 4.508 4.457 4.606 . 0 0 "[ . 1 . 2]" 1
2259 2 25 LEU HA 2 28 LEU H . . 3.800 3.626 3.581 3.763 . 0 0 "[ . 1 . 2]" 1
2260 2 25 LEU QB 2 38 TRP HZ3 . . 4.800 3.076 2.729 3.313 . 0 0 "[ . 1 . 2]" 1
2261 2 25 LEU QB 2 42 PRO HB3 . . 4.500 2.877 2.577 3.350 . 0 0 "[ . 1 . 2]" 1
2262 2 25 LEU QB 2 42 PRO HB2 . . 4.500 2.608 2.452 2.737 . 0 0 "[ . 1 . 2]" 1
2263 2 25 LEU QD 2 61 PHE QE . . 4.350 3.650 3.101 4.034 . 0 0 "[ . 1 . 2]" 1
2264 2 25 LEU QD 2 65 LEU QD . . 4.200 2.496 2.015 2.875 . 0 0 "[ . 1 . 2]" 1
2265 2 25 LEU QD 2 70 ILE MG . . 5.000 2.533 2.231 2.909 . 0 0 "[ . 1 . 2]" 1
2266 2 25 LEU HG 2 70 ILE MD . . 4.800 3.899 2.930 4.624 . 0 0 "[ . 1 . 2]" 1
2267 2 25 LEU QD 2 70 ILE MD . . 3.010 2.318 1.943 2.765 . 0 0 "[ . 1 . 2]" 1
2268 2 25 LEU QD 2 70 ILE HG12 . . 5.500 4.473 4.136 5.007 . 0 0 "[ . 1 . 2]" 1
2269 2 25 LEU QD 2 70 ILE HB . . 4.890 4.013 3.766 4.389 . 0 0 "[ . 1 . 2]" 1
2270 2 25 LEU HG 2 70 ILE MG . . 4.800 4.343 3.674 4.795 . 0 0 "[ . 1 . 2]" 1
2271 2 25 LEU H 2 70 ILE MD . . 4.560 4.287 4.006 4.471 . 0 0 "[ . 1 . 2]" 1
2272 2 26 GLU H 2 26 GLU HG3 . . 4.030 3.677 3.565 3.756 . 0 0 "[ . 1 . 2]" 1
2273 2 26 GLU HA 2 26 GLU HG2 . . 4.200 3.741 3.716 3.765 . 0 0 "[ . 1 . 2]" 1
2274 2 26 GLU H 2 26 GLU HB2 . . 3.650 3.579 3.570 3.592 . 0 0 "[ . 1 . 2]" 1
2275 2 26 GLU HB3 2 26 GLU HG2 . . 2.610 2.499 2.469 2.527 . 0 0 "[ . 1 . 2]" 1
2276 2 26 GLU HA 2 26 GLU HG3 . . 3.800 3.722 3.695 3.756 . 0 0 "[ . 1 . 2]" 1
2277 2 26 GLU H 2 26 GLU HB3 . . 2.930 2.393 2.360 2.445 . 0 0 "[ . 1 . 2]" 1
2278 2 26 GLU H 2 26 GLU HG2 . . 2.960 2.389 2.299 2.453 . 0 0 "[ . 1 . 2]" 1
2279 2 26 GLU H 2 27 ALA MB . . 4.330 4.260 4.196 4.290 . 0 0 "[ . 1 . 2]" 1
2280 2 26 GLU HG2 2 27 ALA H . . 3.830 2.453 2.356 2.531 . 0 0 "[ . 1 . 2]" 1
2281 2 26 GLU HB2 2 27 ALA H . . 4.210 4.072 3.975 4.118 . 0 0 "[ . 1 . 2]" 1
2282 2 26 GLU HG3 2 27 ALA H . . 4.260 2.942 2.697 3.080 . 0 0 "[ . 1 . 2]" 1
2283 2 26 GLU H 2 27 ALA HA . . 5.500 5.198 5.149 5.224 . 0 0 "[ . 1 . 2]" 1
2284 2 26 GLU H 2 27 ALA H . . 3.140 2.587 2.524 2.615 . 0 0 "[ . 1 . 2]" 1
2285 2 26 GLU HB3 2 27 ALA H . . 3.970 3.935 3.888 3.979 0.009 16 0 "[ . 1 . 2]" 1
2286 2 26 GLU HA 2 27 ALA MB . . 5.430 4.992 4.984 5.006 . 0 0 "[ . 1 . 2]" 1
2287 2 26 GLU HA 2 28 LEU H . . 4.800 4.689 4.507 4.759 . 0 0 "[ . 1 . 2]" 1
2288 2 26 GLU H 2 28 LEU H . . 4.460 4.427 4.267 4.483 0.023 16 0 "[ . 1 . 2]" 1
2289 2 26 GLU HA 2 29 ALA H . . 3.610 3.565 3.453 3.618 0.008 13 0 "[ . 1 . 2]" 1
2290 2 26 GLU HG3 2 29 ALA MB . . 5.500 5.159 5.064 5.243 . 0 0 "[ . 1 . 2]" 1
2291 2 26 GLU HA 2 29 ALA MB . . 3.120 2.558 2.475 2.613 . 0 0 "[ . 1 . 2]" 1
2292 2 26 GLU H 2 29 ALA H . . 4.970 4.826 4.753 4.882 . 0 0 "[ . 1 . 2]" 1
2293 2 26 GLU HG2 2 29 ALA MB . . 5.500 5.481 5.420 5.512 0.012 4 0 "[ . 1 . 2]" 1
2294 2 26 GLU HB3 2 29 ALA MB . . 4.990 4.712 4.619 4.771 . 0 0 "[ . 1 . 2]" 1
2295 2 26 GLU HB2 2 29 ALA MB . . 4.570 4.194 4.069 4.263 . 0 0 "[ . 1 . 2]" 1
2296 2 26 GLU H 2 29 ALA MB . . 4.610 4.549 4.475 4.608 . 0 0 "[ . 1 . 2]" 1
2297 2 26 GLU HA 2 30 LYS H . . 4.920 4.935 4.876 4.954 0.034 11 0 "[ . 1 . 2]" 1
2298 2 26 GLU H 2 42 PRO HG2 . . 4.090 3.660 3.188 4.123 0.033 14 0 "[ . 1 . 2]" 1
2299 2 26 GLU HA 2 42 PRO HG3 . . 3.930 2.846 2.540 3.583 . 0 0 "[ . 1 . 2]" 1
2300 2 26 GLU HA 2 42 PRO HG2 . . 3.470 2.066 1.970 2.475 . 0 0 "[ . 1 . 2]" 1
2301 2 26 GLU H 2 42 PRO HG3 . . 4.570 4.239 3.878 4.557 . 0 0 "[ . 1 . 2]" 1
2302 2 26 GLU HB2 2 43 THR HA . . 4.820 4.829 4.796 4.843 0.023 13 0 "[ . 1 . 2]" 1
2303 2 26 GLU HB3 2 43 THR HA . . 4.000 4.006 3.896 4.041 0.041 6 0 "[ . 1 . 2]" 1
2304 2 27 ALA H 2 27 ALA MB . . 2.550 2.206 2.161 2.226 . 0 0 "[ . 1 . 2]" 1
2305 2 27 ALA HA 2 28 LEU H . . 3.480 3.559 3.548 3.563 0.083 16 0 "[ . 1 . 2]" 1
2306 2 27 ALA MB 2 28 LEU HA . . 4.050 3.798 3.782 3.822 . 0 0 "[ . 1 . 2]" 1
2307 2 27 ALA MB 2 28 LEU H . . 2.870 2.436 2.385 2.564 . 0 0 "[ . 1 . 2]" 1
2308 2 27 ALA HA 2 29 ALA MB . . 5.080 4.705 4.656 4.747 . 0 0 "[ . 1 . 2]" 1
2309 2 27 ALA H 2 29 ALA MB . . 4.880 4.460 4.404 4.542 . 0 0 "[ . 1 . 2]" 1
2310 2 27 ALA MB 2 29 ALA MB . . 5.310 5.067 5.036 5.103 . 0 0 "[ . 1 . 2]" 1
2311 2 27 ALA H 2 29 ALA H . . 4.130 3.805 3.739 3.908 . 0 0 "[ . 1 . 2]" 1
2312 2 27 ALA HA 2 30 LYS HG2 . . 4.800 3.943 2.845 4.683 . 0 0 "[ . 1 . 2]" 1
2313 2 27 ALA HA 2 30 LYS QD . . 4.500 3.439 2.349 4.489 . 0 0 "[ . 1 . 2]" 1
2314 2 27 ALA MB 2 30 LYS H . . 4.840 4.650 4.591 4.708 . 0 0 "[ . 1 . 2]" 1
2315 2 27 ALA H 2 30 LYS H . . 5.360 5.116 5.022 5.209 . 0 0 "[ . 1 . 2]" 1
2316 2 27 ALA HA 2 30 LYS QE . . 4.650 3.857 1.992 4.639 . 0 0 "[ . 1 . 2]" 1
2317 2 27 ALA HA 2 30 LYS H . . 3.940 3.770 3.672 3.864 . 0 0 "[ . 1 . 2]" 1
2318 2 27 ALA HA 2 30 LYS HG3 . . 4.800 2.936 2.244 3.357 . 0 0 "[ . 1 . 2]" 1
2319 2 28 LEU H 2 28 LEU MD2 . . 4.800 3.257 3.219 3.303 . 0 0 "[ . 1 . 2]" 1
2320 2 28 LEU HB3 2 28 LEU MD2 . . 3.500 2.084 1.980 2.170 . 0 0 "[ . 1 . 2]" 1
2321 2 28 LEU H 2 28 LEU HB3 . . 3.500 2.200 2.168 2.239 . 0 0 "[ . 1 . 2]" 1
2322 2 28 LEU HA 2 28 LEU MD2 . . 4.200 4.124 4.109 4.136 . 0 0 "[ . 1 . 2]" 1
2323 2 28 LEU H 2 28 LEU HB2 . . 3.500 3.504 3.484 3.526 0.026 14 0 "[ . 1 . 2]" 1
2324 2 28 LEU H 2 28 LEU HG . . 4.500 2.960 2.880 3.037 . 0 0 "[ . 1 . 2]" 1
2325 2 28 LEU HB2 2 28 LEU MD2 . . 3.500 2.673 2.635 2.694 . 0 0 "[ . 1 . 2]" 1
2326 2 28 LEU HB3 2 28 LEU MD1 . . 3.500 3.116 3.113 3.120 . 0 0 "[ . 1 . 2]" 1
2327 2 28 LEU HB2 2 28 LEU MD1 . . 3.500 2.041 2.014 2.067 . 0 0 "[ . 1 . 2]" 1
2328 2 28 LEU HA 2 28 LEU MD1 . . 4.000 3.410 3.381 3.436 . 0 0 "[ . 1 . 2]" 1
2329 2 28 LEU HA 2 28 LEU HG . . 4.070 3.676 3.672 3.681 . 0 0 "[ . 1 . 2]" 1
2330 2 28 LEU H 2 28 LEU HA . . 2.870 2.819 2.809 2.836 . 0 0 "[ . 1 . 2]" 1
2331 2 28 LEU H 2 28 LEU MD1 . . 4.800 4.135 4.098 4.166 . 0 0 "[ . 1 . 2]" 1
2332 2 28 LEU HG 2 29 ALA H . . 4.800 2.195 2.166 2.228 . 0 0 "[ . 1 . 2]" 1
2333 2 28 LEU HG 2 29 ALA MB . . 5.500 3.215 3.167 3.245 . 0 0 "[ . 1 . 2]" 1
2334 2 28 LEU H 2 29 ALA H . . 3.070 2.602 2.551 2.632 . 0 0 "[ . 1 . 2]" 1
2335 2 28 LEU MD2 2 29 ALA H . . 4.800 3.786 3.779 3.794 . 0 0 "[ . 1 . 2]" 1
2336 2 28 LEU HB3 2 29 ALA H . . 3.670 3.710 3.684 3.726 0.056 14 0 "[ . 1 . 2]" 1
2337 2 28 LEU HB2 2 29 ALA H . . 4.480 4.144 4.126 4.163 . 0 0 "[ . 1 . 2]" 1
2338 2 28 LEU MD1 2 29 ALA H . . 4.800 3.244 3.192 3.291 . 0 0 "[ . 1 . 2]" 1
2339 2 28 LEU HB3 2 29 ALA MB . . 5.240 5.154 5.100 5.197 . 0 0 "[ . 1 . 2]" 1
2340 2 28 LEU H 2 29 ALA MB . . 4.230 4.217 4.169 4.236 0.006 8 0 "[ . 1 . 2]" 1
2341 2 28 LEU HA 2 29 ALA MB . . 5.100 4.976 4.970 4.985 . 0 0 "[ . 1 . 2]" 1
2342 2 28 LEU H 2 29 ALA HA . . 5.410 5.186 5.139 5.219 . 0 0 "[ . 1 . 2]" 1
2343 2 28 LEU HB3 2 29 ALA HA . . 5.390 5.476 5.460 5.490 0.100 14 0 "[ . 1 . 2]" 1
2344 2 28 LEU H 2 30 LYS H . . 4.500 4.225 4.169 4.285 . 0 0 "[ . 1 . 2]" 1
2345 2 28 LEU HA 2 30 LYS H . . 4.500 3.838 3.743 3.946 . 0 0 "[ . 1 . 2]" 1
2346 2 28 LEU HA 2 31 GLN HE21 . . 4.280 4.132 4.077 4.230 . 0 0 "[ . 1 . 2]" 1
2347 2 28 LEU HA 2 31 GLN HG2 . . 3.900 3.429 3.341 3.527 . 0 0 "[ . 1 . 2]" 1
2348 2 28 LEU MD1 2 31 GLN HG3 . . 4.710 3.698 3.667 3.719 . 0 0 "[ . 1 . 2]" 1
2349 2 28 LEU HA 2 31 GLN HG3 . . 3.650 2.017 1.988 2.136 . 0 0 "[ . 1 . 2]" 1
2350 2 28 LEU MD1 2 31 GLN HG2 . . 5.020 5.138 5.115 5.159 0.139 4 0 "[ . 1 . 2]" 1
2351 2 28 LEU MD1 2 31 GLN H . . 4.600 4.127 4.062 4.209 . 0 0 "[ . 1 . 2]" 1
2352 2 28 LEU HA 2 31 GLN HE22 . . 5.110 4.897 4.828 5.060 . 0 0 "[ . 1 . 2]" 1
2353 2 28 LEU HA 2 31 GLN H . . 3.740 3.387 3.305 3.516 . 0 0 "[ . 1 . 2]" 1
2354 2 28 LEU HG 2 34 LEU MD1 . . 4.210 4.040 3.973 4.097 . 0 0 "[ . 1 . 2]" 1
2355 2 28 LEU MD2 2 34 LEU MD1 . . 4.200 3.898 3.864 3.971 . 0 0 "[ . 1 . 2]" 1
2356 2 28 LEU H 2 34 LEU MD1 . . 5.500 5.524 5.499 5.554 0.054 7 0 "[ . 1 . 2]" 1
2357 2 28 LEU HB3 2 34 LEU MD1 . . 4.750 4.558 4.530 4.600 . 0 0 "[ . 1 . 2]" 1
2358 2 28 LEU MD1 2 34 LEU MD1 . . 4.200 1.907 1.861 1.956 . 0 0 "[ . 1 . 2]" 1
2359 2 28 LEU HA 2 34 LEU MD2 . . 5.500 5.475 5.392 5.517 0.017 6 0 "[ . 1 . 2]" 1
2360 2 28 LEU HB2 2 34 LEU MD1 . . 4.370 3.162 3.120 3.235 . 0 0 "[ . 1 . 2]" 1
2361 2 28 LEU HA 2 34 LEU MD1 . . 4.070 3.842 3.787 3.897 . 0 0 "[ . 1 . 2]" 1
2362 2 28 LEU MD1 2 36 PHE QD . . 3.980 3.114 2.979 3.286 . 0 0 "[ . 1 . 2]" 1
2363 2 28 LEU MD2 2 36 PHE QE . . 5.200 4.886 4.739 5.032 . 0 0 "[ . 1 . 2]" 1
2364 2 28 LEU MD1 2 36 PHE QE . . 3.490 3.281 3.104 3.427 . 0 0 "[ . 1 . 2]" 1
2365 2 28 LEU H 2 38 TRP HH2 . . 5.500 5.166 5.046 5.368 . 0 0 "[ . 1 . 2]" 1
2366 2 28 LEU MD1 2 38 TRP HZ2 . . 4.500 1.979 1.930 2.123 . 0 0 "[ . 1 . 2]" 1
2367 2 28 LEU MD2 2 38 TRP HZ2 . . 4.500 3.254 2.892 3.491 . 0 0 "[ . 1 . 2]" 1
2368 2 28 LEU HG 2 38 TRP HH2 . . 5.200 2.865 2.719 3.270 . 0 0 "[ . 1 . 2]" 1
2369 2 28 LEU MD2 2 38 TRP HH2 . . 4.800 2.671 2.464 2.930 . 0 0 "[ . 1 . 2]" 1
2370 2 28 LEU MD1 2 38 TRP HH2 . . 4.800 3.377 3.116 3.762 . 0 0 "[ . 1 . 2]" 1
2371 2 28 LEU HG 2 38 TRP HZ2 . . 4.500 2.538 2.336 2.842 . 0 0 "[ . 1 . 2]" 1
2372 2 28 LEU MD2 2 51 ILE MD . . 4.650 3.387 3.153 3.786 . 0 0 "[ . 1 . 2]" 1
2373 2 28 LEU MD1 2 51 ILE MD . . 5.000 3.350 3.205 3.587 . 0 0 "[ . 1 . 2]" 1
2374 2 28 LEU HB2 2 60 TRP HH2 . . 4.800 3.173 2.818 3.345 . 0 0 "[ . 1 . 2]" 1
2375 2 28 LEU MD1 2 60 TRP HZ2 . . 5.500 4.502 4.324 4.688 . 0 0 "[ . 1 . 2]" 1
2376 2 28 LEU HB3 2 60 TRP HH2 . . 4.800 4.701 4.428 4.819 0.019 3 0 "[ . 1 . 2]" 1
2377 2 28 LEU MD2 2 60 TRP HZ2 . . 5.500 5.436 5.182 5.517 0.017 16 0 "[ . 1 . 2]" 1
2378 2 28 LEU MD1 2 61 PHE HA . . 5.480 5.435 5.251 5.567 0.087 14 0 "[ . 1 . 2]" 1
2379 2 28 LEU MD1 2 61 PHE QE . . 3.800 3.032 2.904 3.209 . 0 0 "[ . 1 . 2]" 1
2380 2 28 LEU MD1 2 61 PHE QD . . 5.200 4.359 4.214 4.510 . 0 0 "[ . 1 . 2]" 1
2381 2 28 LEU MD2 2 61 PHE QD . . 5.200 4.115 3.896 4.307 . 0 0 "[ . 1 . 2]" 1
2382 2 28 LEU MD2 2 61 PHE QE . . 3.500 2.443 2.179 2.726 . 0 0 "[ . 1 . 2]" 1
2383 2 28 LEU MD1 2 64 MET ME . . 4.000 2.682 2.305 3.251 . 0 0 "[ . 1 . 2]" 1
2384 2 28 LEU MD2 2 64 MET ME . . 4.000 2.401 2.079 2.877 . 0 0 "[ . 1 . 2]" 1
2385 2 29 ALA H 2 29 ALA MB . . 2.800 2.112 2.076 2.171 . 0 0 "[ . 1 . 2]" 1
2386 2 29 ALA MB 2 30 LYS H . . 3.220 2.812 2.734 2.854 . 0 0 "[ . 1 . 2]" 1
2387 2 29 ALA MB 2 30 LYS HA . . 4.170 3.793 3.751 3.842 . 0 0 "[ . 1 . 2]" 1
2388 2 29 ALA MB 2 30 LYS HG2 . . 5.000 3.796 3.258 4.458 . 0 0 "[ . 1 . 2]" 1
2389 2 29 ALA MB 2 30 LYS HG3 . . 5.000 4.007 3.249 4.947 . 0 0 "[ . 1 . 2]" 1
2390 2 29 ALA H 2 30 LYS HG3 . . 5.500 4.582 4.153 5.625 0.125 15 0 "[ . 1 . 2]" 1
2391 2 29 ALA H 2 30 LYS H . . 3.210 2.697 2.656 2.717 . 0 0 "[ . 1 . 2]" 1
2392 2 29 ALA MB 2 30 LYS QD . . 4.830 4.572 3.600 4.836 0.006 14 0 "[ . 1 . 2]" 1
2393 2 29 ALA MB 2 31 GLN H . . 4.540 4.383 4.313 4.461 . 0 0 "[ . 1 . 2]" 1
2394 2 29 ALA H 2 31 GLN H . . 4.290 4.154 4.120 4.197 . 0 0 "[ . 1 . 2]" 1
2395 2 29 ALA HA 2 31 GLN H . . 4.500 3.850 3.708 3.954 . 0 0 "[ . 1 . 2]" 1
2396 2 29 ALA H 2 31 GLN HG3 . . 4.990 4.741 4.698 4.816 . 0 0 "[ . 1 . 2]" 1
2397 2 29 ALA H 2 34 LEU MD1 . . 5.030 4.702 4.590 4.798 . 0 0 "[ . 1 . 2]" 1
2398 2 29 ALA MB 2 38 TRP HD1 . . 5.200 4.212 3.963 4.388 . 0 0 "[ . 1 . 2]" 1
2399 2 29 ALA HA 2 38 TRP HZ2 . . 4.000 2.249 2.098 2.677 . 0 0 "[ . 1 . 2]" 1
2400 2 29 ALA HA 2 38 TRP HD1 . . 4.800 4.752 4.455 4.833 0.033 17 0 "[ . 1 . 2]" 1
2401 2 29 ALA HA 2 38 TRP HH2 . . 4.800 4.178 4.007 4.710 . 0 0 "[ . 1 . 2]" 1
2402 2 29 ALA MB 2 38 TRP HZ2 . . 3.800 2.795 2.697 2.899 . 0 0 "[ . 1 . 2]" 1
2403 2 29 ALA MB 2 38 TRP HE3 . . 5.500 4.058 3.809 4.230 . 0 0 "[ . 1 . 2]" 1
2404 2 29 ALA MB 2 38 TRP HZ3 . . 5.500 3.819 3.591 4.125 . 0 0 "[ . 1 . 2]" 1
2405 2 29 ALA MB 2 38 TRP HH2 . . 4.800 3.077 2.961 3.357 . 0 0 "[ . 1 . 2]" 1
2406 2 29 ALA MB 2 42 PRO HD3 . . 4.650 3.998 3.739 4.325 . 0 0 "[ . 1 . 2]" 1
2407 2 29 ALA MB 2 42 PRO HG3 . . 4.800 2.992 2.443 3.635 . 0 0 "[ . 1 . 2]" 1
2408 2 29 ALA MB 2 42 PRO HD2 . . 4.650 3.720 3.626 3.813 . 0 0 "[ . 1 . 2]" 1
2409 2 29 ALA MB 2 42 PRO HG2 . . 4.800 3.427 3.151 3.714 . 0 0 "[ . 1 . 2]" 1
2410 2 30 LYS HA 2 30 LYS HG2 . . 3.850 2.757 2.562 3.141 . 0 0 "[ . 1 . 2]" 1
2411 2 30 LYS H 2 30 LYS QD . . 4.500 3.754 3.334 4.115 . 0 0 "[ . 1 . 2]" 1
2412 2 30 LYS H 2 30 LYS HG2 . . 3.800 2.799 1.982 3.653 . 0 0 "[ . 1 . 2]" 1
2413 2 30 LYS HB3 2 30 LYS QD . . 2.980 2.461 2.107 2.958 . 0 0 "[ . 1 . 2]" 1
2414 2 30 LYS HA 2 30 LYS HG3 . . 3.850 3.406 2.877 3.844 . 0 0 "[ . 1 . 2]" 1
2415 2 30 LYS HB3 2 30 LYS QE . . 4.160 2.815 2.124 4.089 . 0 0 "[ . 1 . 2]" 1
2416 2 30 LYS H 2 30 LYS HB3 . . 3.610 3.592 3.583 3.599 . 0 0 "[ . 1 . 2]" 1
2417 2 30 LYS H 2 30 LYS QE . . 5.000 4.269 2.667 4.959 . 0 0 "[ . 1 . 2]" 1
2418 2 30 LYS HB2 2 30 LYS QE . . 3.860 3.195 2.337 3.865 0.005 14 0 "[ . 1 . 2]" 1
2419 2 30 LYS HA 2 30 LYS QE . . 4.960 4.026 1.983 4.935 . 0 0 "[ . 1 . 2]" 1
2420 2 30 LYS QD 2 30 LYS QE . . 2.470 2.061 2.020 2.091 . 0 0 "[ . 1 . 2]" 1
2421 2 30 LYS HA 2 30 LYS QD . . 4.200 3.520 2.142 4.206 0.006 12 0 "[ . 1 . 2]" 1
2422 2 30 LYS HA 2 30 LYS HB3 . . 2.990 2.425 2.376 2.484 . 0 0 "[ . 1 . 2]" 1
2423 2 30 LYS QD 2 30 LYS HG3 . . 2.570 2.294 2.154 2.499 . 0 0 "[ . 1 . 2]" 1
2424 2 30 LYS H 2 30 LYS HB2 . . 2.880 2.589 2.457 2.699 . 0 0 "[ . 1 . 2]" 1
2425 2 30 LYS H 2 30 LYS HG3 . . 3.800 2.559 2.073 3.505 . 0 0 "[ . 1 . 2]" 1
2426 2 30 LYS QE 2 30 LYS HG2 . . 2.710 2.707 2.045 3.351 0.641 17 7 "[ * *. - * * .*+ 2]" 1
2427 2 30 LYS H 2 31 GLN H . . 2.890 2.557 2.506 2.604 . 0 0 "[ . 1 . 2]" 1
2428 2 30 LYS H 2 31 GLN HG2 . . 4.790 4.799 4.776 4.812 0.022 9 0 "[ . 1 . 2]" 1
2429 2 30 LYS HG2 2 31 GLN H . . 5.200 4.741 4.199 5.211 0.011 14 0 "[ . 1 . 2]" 1
2430 2 30 LYS HG3 2 31 GLN H . . 5.200 4.527 4.237 5.119 . 0 0 "[ . 1 . 2]" 1
2431 2 30 LYS H 2 31 GLN HB2 . . 5.040 4.869 4.786 4.937 . 0 0 "[ . 1 . 2]" 1
2432 2 30 LYS H 2 31 GLN HG3 . . 4.270 4.219 4.140 4.283 0.013 11 0 "[ . 1 . 2]" 1
2433 2 30 LYS H 2 31 GLN HA . . 5.280 5.120 5.067 5.171 . 0 0 "[ . 1 . 2]" 1
2434 2 30 LYS HB2 2 31 GLN H . . 4.200 3.016 2.948 3.134 . 0 0 "[ . 1 . 2]" 1
2435 2 31 GLN HB3 2 31 GLN HE22 . . 3.740 3.430 3.407 3.447 . 0 0 "[ . 1 . 2]" 1
2436 2 31 GLN HB2 2 31 GLN HE21 . . 3.390 2.381 2.341 2.456 . 0 0 "[ . 1 . 2]" 1
2437 2 31 GLN H 2 31 GLN HG3 . . 3.200 2.453 2.412 2.569 . 0 0 "[ . 1 . 2]" 1
2438 2 31 GLN HA 2 31 GLN HE22 . . 5.500 5.492 5.462 5.513 0.013 10 0 "[ . 1 . 2]" 1
2439 2 31 GLN HB3 2 31 GLN HE21 . . 3.400 2.401 2.361 2.460 . 0 0 "[ . 1 . 2]" 1
2440 2 31 GLN H 2 31 GLN HB2 . . 3.050 2.540 2.477 2.557 . 0 0 "[ . 1 . 2]" 1
2441 2 31 GLN HA 2 31 GLN HG3 . . 3.740 3.502 3.485 3.523 . 0 0 "[ . 1 . 2]" 1
2442 2 31 GLN HE22 2 31 GLN HG3 . . 3.750 3.696 3.673 3.705 . 0 0 "[ . 1 . 2]" 1
2443 2 31 GLN HA 2 31 GLN HG2 . . 3.490 2.409 2.367 2.431 . 0 0 "[ . 1 . 2]" 1
2444 2 31 GLN HB2 2 31 GLN HE22 . . 4.150 3.966 3.934 4.019 . 0 0 "[ . 1 . 2]" 1
2445 2 31 GLN H 2 31 GLN HB3 . . 3.690 3.590 3.589 3.592 . 0 0 "[ . 1 . 2]" 1
2446 2 31 GLN H 2 31 GLN HG2 . . 3.170 2.794 2.748 2.887 . 0 0 "[ . 1 . 2]" 1
2447 2 31 GLN HA 2 31 GLN HE21 . . 4.630 4.579 4.552 4.624 . 0 0 "[ . 1 . 2]" 1
2448 2 31 GLN HG3 2 32 ASP H . . 5.500 5.547 5.527 5.566 0.066 9 0 "[ . 1 . 2]" 1
2449 2 31 GLN HB3 2 32 ASP H . . 4.020 3.885 3.739 3.964 . 0 0 "[ . 1 . 2]" 1
2450 2 31 GLN HA 2 32 ASP H . . 2.540 2.200 2.160 2.227 . 0 0 "[ . 1 . 2]" 1
2451 2 31 GLN H 2 32 ASP H . . 4.500 4.255 4.195 4.352 . 0 0 "[ . 1 . 2]" 1
2452 2 31 GLN HB3 2 32 ASP QB . . 5.500 5.462 5.369 5.613 0.113 4 0 "[ . 1 . 2]" 1
2453 2 31 GLN H 2 32 ASP HA . . 5.500 5.355 5.310 5.455 . 0 0 "[ . 1 . 2]" 1
2454 2 31 GLN HA 2 32 ASP QB . . 4.290 4.206 4.121 4.288 . 0 0 "[ . 1 . 2]" 1
2455 2 31 GLN HG2 2 32 ASP H . . 4.800 4.607 4.512 4.653 . 0 0 "[ . 1 . 2]" 1
2456 2 31 GLN HB2 2 32 ASP H . . 4.700 4.439 4.414 4.458 . 0 0 "[ . 1 . 2]" 1
2457 2 31 GLN HB3 2 32 ASP HA . . 5.340 5.150 5.060 5.205 . 0 0 "[ . 1 . 2]" 1
2458 2 31 GLN H 2 33 GLU H . . 5.500 5.513 5.495 5.531 0.031 11 0 "[ . 1 . 2]" 1
2459 2 31 GLN HA 2 33 GLU H . . 3.960 3.296 3.269 3.367 . 0 0 "[ . 1 . 2]" 1
2460 2 31 GLN HB2 2 33 GLU H . . 5.270 4.389 4.314 4.436 . 0 0 "[ . 1 . 2]" 1
2461 2 31 GLN HB3 2 33 GLU HG2 . . 2.460 2.246 2.119 2.456 . 0 0 "[ . 1 . 2]" 1
2462 2 31 GLN HE21 2 33 GLU H . . 5.500 5.457 5.318 5.511 0.011 16 0 "[ . 1 . 2]" 1
2463 2 31 GLN HB3 2 33 GLU H . . 3.580 3.246 3.099 3.329 . 0 0 "[ . 1 . 2]" 1
2464 2 31 GLN HB2 2 34 LEU MD2 . . 3.740 3.340 3.243 3.431 . 0 0 "[ . 1 . 2]" 1
2465 2 31 GLN HB3 2 34 LEU MD1 . . 3.530 3.128 2.999 3.221 . 0 0 "[ . 1 . 2]" 1
2466 2 31 GLN HB3 2 34 LEU MD2 . . 4.440 3.221 3.095 3.360 . 0 0 "[ . 1 . 2]" 1
2467 2 31 GLN HE22 2 34 LEU MD2 . . 3.780 2.663 2.565 2.851 . 0 0 "[ . 1 . 2]" 1
2468 2 31 GLN HE21 2 34 LEU MD2 . . 4.070 2.010 1.931 2.122 . 0 0 "[ . 1 . 2]" 1
2469 2 31 GLN HG2 2 34 LEU MD1 . . 4.300 4.241 4.144 4.313 0.013 15 0 "[ . 1 . 2]" 1
2470 2 31 GLN HB3 2 34 LEU HG . . 4.030 2.258 2.202 2.339 . 0 0 "[ . 1 . 2]" 1
2471 2 31 GLN HB2 2 34 LEU HB3 . . 5.290 4.670 4.603 4.761 . 0 0 "[ . 1 . 2]" 1
2472 2 31 GLN H 2 34 LEU MD1 . . 3.840 3.667 3.532 3.752 . 0 0 "[ . 1 . 2]" 1
2473 2 31 GLN HB2 2 34 LEU HB2 . . 4.910 3.766 3.633 3.876 . 0 0 "[ . 1 . 2]" 1
2474 2 31 GLN HE21 2 34 LEU HG . . 4.380 2.640 2.506 2.755 . 0 0 "[ . 1 . 2]" 1
2475 2 31 GLN HB2 2 34 LEU MD1 . . 3.370 1.981 1.945 2.093 . 0 0 "[ . 1 . 2]" 1
2476 2 31 GLN HE22 2 34 LEU MD1 . . 4.010 3.572 3.418 3.751 . 0 0 "[ . 1 . 2]" 1
2477 2 31 GLN HG3 2 34 LEU MD2 . . 4.820 4.386 4.325 4.445 . 0 0 "[ . 1 . 2]" 1
2478 2 31 GLN HG3 2 34 LEU HG . . 4.810 4.141 4.052 4.224 . 0 0 "[ . 1 . 2]" 1
2479 2 31 GLN HG2 2 34 LEU HG . . 4.730 4.649 4.594 4.738 0.008 9 0 "[ . 1 . 2]" 1
2480 2 31 GLN HB3 2 34 LEU HB2 . . 5.480 4.449 4.325 4.567 . 0 0 "[ . 1 . 2]" 1
2481 2 31 GLN HB2 2 34 LEU H . . 5.000 3.684 3.597 3.748 . 0 0 "[ . 1 . 2]" 1
2482 2 31 GLN HE22 2 34 LEU HG . . 4.740 4.082 3.930 4.239 . 0 0 "[ . 1 . 2]" 1
2483 2 31 GLN HG3 2 34 LEU MD1 . . 4.160 3.073 2.976 3.187 . 0 0 "[ . 1 . 2]" 1
2484 2 31 GLN HG2 2 34 LEU MD2 . . 5.210 5.007 4.915 5.106 . 0 0 "[ . 1 . 2]" 1
2485 2 31 GLN HB2 2 34 LEU HA . . 5.500 5.358 5.290 5.481 . 0 0 "[ . 1 . 2]" 1
2486 2 31 GLN HB3 2 34 LEU H . . 5.000 3.265 3.121 3.394 . 0 0 "[ . 1 . 2]" 1
2487 2 31 GLN HE21 2 34 LEU MD1 . . 3.960 2.096 1.924 2.261 . 0 0 "[ . 1 . 2]" 1
2488 2 31 GLN HB2 2 34 LEU HG . . 3.880 2.100 2.057 2.155 . 0 0 "[ . 1 . 2]" 1
2489 2 31 GLN H 2 34 LEU MD2 . . 5.500 5.459 5.388 5.515 0.015 4 0 "[ . 1 . 2]" 1
2490 2 31 GLN HA 2 34 LEU MD1 . . 4.760 4.588 4.564 4.610 . 0 0 "[ . 1 . 2]" 1
2491 2 31 GLN H 2 34 LEU HG . . 4.830 4.524 4.467 4.590 . 0 0 "[ . 1 . 2]" 1
2492 2 32 ASP H 2 32 ASP QB . . 2.810 2.230 2.156 2.297 . 0 0 "[ . 1 . 2]" 1
2493 2 32 ASP HA 2 32 ASP QB . . 2.730 2.413 2.169 2.493 . 0 0 "[ . 1 . 2]" 1
2494 2 32 ASP H 2 33 GLU HA . . 5.210 5.070 5.022 5.110 . 0 0 "[ . 1 . 2]" 1
2495 2 32 ASP QB 2 33 GLU HA . . 4.930 4.101 3.964 4.694 . 0 0 "[ . 1 . 2]" 1
2496 2 32 ASP QB 2 33 GLU H . . 3.650 3.120 3.006 3.648 . 0 0 "[ . 1 . 2]" 1
2497 2 32 ASP H 2 33 GLU H . . 3.200 2.521 2.471 2.563 . 0 0 "[ . 1 . 2]" 1
2498 2 32 ASP H 2 34 LEU H . . 4.800 4.243 4.204 4.278 . 0 0 "[ . 1 . 2]" 1
2499 2 32 ASP H 2 34 LEU HG . . 5.320 5.009 4.930 5.080 . 0 0 "[ . 1 . 2]" 1
2500 2 32 ASP QB 2 34 LEU H . . 5.200 4.647 4.522 4.921 . 0 0 "[ . 1 . 2]" 1
2501 2 32 ASP H 2 34 LEU MD1 . . 5.500 5.519 5.496 5.535 0.035 17 0 "[ . 1 . 2]" 1
2502 2 32 ASP HA 2 34 LEU H . . 4.650 3.616 3.527 3.723 . 0 0 "[ . 1 . 2]" 1
2503 2 32 ASP HA 2 35 ASN H . . 4.450 3.355 3.250 3.408 . 0 0 "[ . 1 . 2]" 1
2504 2 33 GLU H 2 33 GLU HB2 . . 3.730 3.592 3.581 3.599 . 0 0 "[ . 1 . 2]" 1
2505 2 33 GLU H 2 33 GLU HG2 . . 3.630 2.157 2.023 2.352 . 0 0 "[ . 1 . 2]" 1
2506 2 33 GLU H 2 33 GLU HB3 . . 3.220 2.543 2.414 2.665 . 0 0 "[ . 1 . 2]" 1
2507 2 33 GLU H 2 33 GLU HG3 . . 3.750 3.250 2.873 3.541 . 0 0 "[ . 1 . 2]" 1
2508 2 33 GLU HA 2 33 GLU HB2 . . 2.740 2.437 2.377 2.501 . 0 0 "[ . 1 . 2]" 1
2509 2 33 GLU HA 2 33 GLU HB3 . . 2.750 2.458 2.396 2.523 . 0 0 "[ . 1 . 2]" 1
2510 2 33 GLU HA 2 33 GLU HG3 . . 3.790 3.718 3.647 3.779 . 0 0 "[ . 1 . 2]" 1
2511 2 33 GLU HB3 2 33 GLU HG2 . . 2.830 2.415 2.313 2.481 . 0 0 "[ . 1 . 2]" 1
2512 2 33 GLU HA 2 33 GLU HG2 . . 3.900 3.777 3.719 3.871 . 0 0 "[ . 1 . 2]" 1
2513 2 33 GLU H 2 34 LEU MD2 . . 4.890 4.618 4.392 4.740 . 0 0 "[ . 1 . 2]" 1
2514 2 33 GLU H 2 34 LEU HA . . 5.440 5.161 5.113 5.211 . 0 0 "[ . 1 . 2]" 1
2515 2 33 GLU HB3 2 34 LEU H . . 4.410 4.124 4.030 4.202 . 0 0 "[ . 1 . 2]" 1
2516 2 33 GLU HG3 2 34 LEU HB3 . . 5.060 4.918 4.793 5.039 . 0 0 "[ . 1 . 2]" 1
2517 2 33 GLU HB3 2 34 LEU MD2 . . 5.110 4.950 4.685 5.117 0.007 5 0 "[ . 1 . 2]" 1
2518 2 33 GLU HA 2 34 LEU MD2 . . 5.500 5.083 4.869 5.176 . 0 0 "[ . 1 . 2]" 1
2519 2 33 GLU H 2 34 LEU MD1 . . 5.180 5.152 5.078 5.189 0.009 9 0 "[ . 1 . 2]" 1
2520 2 33 GLU HG2 2 34 LEU H . . 4.800 2.988 2.736 3.296 . 0 0 "[ . 1 . 2]" 1
2521 2 33 GLU H 2 34 LEU HG . . 4.420 3.909 3.779 3.981 . 0 0 "[ . 1 . 2]" 1
2522 2 33 GLU H 2 34 LEU HB2 . . 5.280 4.952 4.871 5.044 . 0 0 "[ . 1 . 2]" 1
2523 2 33 GLU HG3 2 34 LEU MD2 . . 3.320 2.321 1.982 2.579 . 0 0 "[ . 1 . 2]" 1
2524 2 33 GLU HG2 2 34 LEU MD2 . . 4.070 3.487 3.143 3.982 . 0 0 "[ . 1 . 2]" 1
2525 2 33 GLU HB2 2 34 LEU MD2 . . 5.010 4.266 3.929 4.463 . 0 0 "[ . 1 . 2]" 1
2526 2 33 GLU HG3 2 34 LEU H . . 4.500 2.761 2.459 2.975 . 0 0 "[ . 1 . 2]" 1
2527 2 33 GLU H 2 34 LEU H . . 3.340 2.583 2.536 2.632 . 0 0 "[ . 1 . 2]" 1
2528 2 33 GLU HG3 2 34 LEU HA . . 4.270 3.406 3.250 3.572 . 0 0 "[ . 1 . 2]" 1
2529 2 33 GLU HB2 2 34 LEU H . . 4.410 4.063 3.953 4.159 . 0 0 "[ . 1 . 2]" 1
2530 2 33 GLU HA 2 35 ASN H . . 4.460 4.503 4.474 4.549 0.089 4 0 "[ . 1 . 2]" 1
2531 2 33 GLU H 2 35 ASN H . . 4.600 4.478 4.385 4.525 . 0 0 "[ . 1 . 2]" 1
2532 2 34 LEU H 2 34 LEU HG . . 2.920 2.189 2.096 2.267 . 0 0 "[ . 1 . 2]" 1
2533 2 34 LEU H 2 34 LEU HB2 . . 3.120 2.562 2.521 2.644 . 0 0 "[ . 1 . 2]" 1
2534 2 34 LEU HA 2 34 LEU HG . . 3.640 3.268 3.230 3.340 . 0 0 "[ . 1 . 2]" 1
2535 2 34 LEU H 2 34 LEU MD1 . . 3.710 3.667 3.644 3.693 . 0 0 "[ . 1 . 2]" 1
2536 2 34 LEU HB3 2 34 LEU MD1 . . 3.410 2.391 2.272 2.417 . 0 0 "[ . 1 . 2]" 1
2537 2 34 LEU H 2 34 LEU HB3 . . 3.750 3.598 3.593 3.607 . 0 0 "[ . 1 . 2]" 1
2538 2 34 LEU HB2 2 34 LEU MD2 . . 3.230 3.194 3.192 3.195 . 0 0 "[ . 1 . 2]" 1
2539 2 34 LEU HA 2 34 LEU HB3 . . 2.980 2.412 2.368 2.433 . 0 0 "[ . 1 . 2]" 1
2540 2 34 LEU HB2 2 34 LEU MD1 . . 3.190 2.297 2.260 2.412 . 0 0 "[ . 1 . 2]" 1
2541 2 34 LEU HA 2 34 LEU MD2 . . 2.830 2.141 2.047 2.283 . 0 0 "[ . 1 . 2]" 1
2542 2 34 LEU HA 2 34 LEU MD1 . . 4.010 3.872 3.860 3.899 . 0 0 "[ . 1 . 2]" 1
2543 2 34 LEU H 2 34 LEU MD2 . . 3.210 3.077 2.940 3.159 . 0 0 "[ . 1 . 2]" 1
2544 2 34 LEU MD1 2 35 ASN H . . 4.820 4.369 4.347 4.427 . 0 0 "[ . 1 . 2]" 1
2545 2 34 LEU HG 2 35 ASN H . . 4.800 4.094 3.949 4.169 . 0 0 "[ . 1 . 2]" 1
2546 2 34 LEU HB2 2 35 ASN H . . 4.800 2.457 2.434 2.509 . 0 0 "[ . 1 . 2]" 1
2547 2 34 LEU HB2 2 35 ASN HA . . 4.810 4.393 4.336 4.429 . 0 0 "[ . 1 . 2]" 1
2548 2 34 LEU H 2 35 ASN HA . . 4.800 4.807 4.740 4.838 0.038 4 0 "[ . 1 . 2]" 1
2549 2 34 LEU HB3 2 35 ASN HA . . 5.500 5.332 5.293 5.425 . 0 0 "[ . 1 . 2]" 1
2550 2 34 LEU H 2 35 ASN H . . 3.210 2.587 2.500 2.615 . 0 0 "[ . 1 . 2]" 1
2551 2 34 LEU MD2 2 35 ASN H . . 4.720 4.552 4.517 4.577 . 0 0 "[ . 1 . 2]" 1
2552 2 34 LEU HB3 2 35 ASN H . . 4.800 3.643 3.603 3.765 . 0 0 "[ . 1 . 2]" 1
2553 2 34 LEU HA 2 36 PHE H . . 4.500 4.499 4.436 4.515 0.015 9 0 "[ . 1 . 2]" 1
2554 2 34 LEU MD1 2 36 PHE QE . . 4.290 2.169 1.990 2.284 . 0 0 "[ . 1 . 2]" 1
2555 2 34 LEU H 2 36 PHE H . . 4.700 4.603 4.560 4.660 . 0 0 "[ . 1 . 2]" 1
2556 2 34 LEU HB3 2 36 PHE QE . . 4.490 2.928 2.835 2.971 . 0 0 "[ . 1 . 2]" 1
2557 2 34 LEU HB3 2 36 PHE H . . 3.960 3.249 3.176 3.405 . 0 0 "[ . 1 . 2]" 1
2558 2 34 LEU MD1 2 36 PHE H . . 4.460 4.117 4.084 4.191 . 0 0 "[ . 1 . 2]" 1
2559 2 34 LEU HG 2 36 PHE H . . 5.130 5.115 5.038 5.138 0.008 15 0 "[ . 1 . 2]" 1
2560 2 34 LEU HB3 2 36 PHE QD . . 4.090 2.949 2.918 2.988 . 0 0 "[ . 1 . 2]" 1
2561 2 34 LEU HA 2 36 PHE QE . . 4.270 4.181 3.990 4.309 0.039 17 0 "[ . 1 . 2]" 1
2562 2 34 LEU MD1 2 36 PHE QD . . 4.120 2.520 2.350 2.614 . 0 0 "[ . 1 . 2]" 1
2563 2 34 LEU HG 2 36 PHE QE . . 4.720 4.712 4.602 4.747 0.027 11 0 "[ . 1 . 2]" 1
2564 2 34 LEU HB2 2 36 PHE QE . . 4.820 4.226 4.113 4.293 . 0 0 "[ . 1 . 2]" 1
2565 2 34 LEU MD2 2 36 PHE QE . . 4.650 2.795 2.684 2.975 . 0 0 "[ . 1 . 2]" 1
2566 2 34 LEU HB2 2 36 PHE H . . 3.850 2.689 2.622 2.712 . 0 0 "[ . 1 . 2]" 1
2567 2 34 LEU MD2 2 36 PHE QD . . 4.320 4.034 3.974 4.141 . 0 0 "[ . 1 . 2]" 1
2568 2 34 LEU HB2 2 36 PHE QD . . 4.700 3.556 3.361 3.696 . 0 0 "[ . 1 . 2]" 1
2569 2 34 LEU HA 2 57 MET ME . . 3.280 2.952 2.679 3.148 . 0 0 "[ . 1 . 2]" 1
2570 2 34 LEU HB2 2 57 MET ME . . 5.090 4.830 4.633 5.001 . 0 0 "[ . 1 . 2]" 1
2571 2 34 LEU MD1 2 57 MET ME . . 3.980 4.008 3.990 4.031 0.051 9 0 "[ . 1 . 2]" 1
2572 2 34 LEU HB3 2 57 MET ME . . 4.340 3.461 3.308 3.635 . 0 0 "[ . 1 . 2]" 1
2573 2 34 LEU H 2 57 MET ME . . 5.440 5.273 5.014 5.452 0.012 6 0 "[ . 1 . 2]" 1
2574 2 34 LEU MD2 2 57 MET ME . . 2.500 2.393 2.295 2.508 0.008 12 0 "[ . 1 . 2]" 1
2575 2 34 LEU MD2 2 60 TRP HH2 . . 3.490 2.802 2.504 2.979 . 0 0 "[ . 1 . 2]" 1
2576 2 34 LEU MD1 2 60 TRP HZ3 . . 3.500 2.933 2.367 3.082 . 0 0 "[ . 1 . 2]" 1
2577 2 34 LEU MD1 2 60 TRP HZ2 . . 4.500 4.011 3.721 4.294 . 0 0 "[ . 1 . 2]" 1
2578 2 34 LEU MD2 2 60 TRP HZ2 . . 4.500 3.044 2.756 3.401 . 0 0 "[ . 1 . 2]" 1
2579 2 34 LEU MD2 2 60 TRP HZ3 . . 4.000 3.343 2.758 3.656 . 0 0 "[ . 1 . 2]" 1
2580 2 34 LEU MD1 2 61 PHE QE . . 4.880 3.919 3.778 4.033 . 0 0 "[ . 1 . 2]" 1
2581 2 35 ASN HA 2 35 ASN HD22 . . 5.500 4.468 3.944 4.838 . 0 0 "[ . 1 . 2]" 1
2582 2 35 ASN HB2 2 35 ASN HD22 . . 4.000 3.677 3.434 4.072 0.072 15 0 "[ . 1 . 2]" 1
2583 2 35 ASN H 2 35 ASN HB2 . . 3.770 3.308 3.074 3.806 0.036 3 0 "[ . 1 . 2]" 1
2584 2 35 ASN H 2 35 ASN HA . . 2.820 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
2585 2 35 ASN H 2 35 ASN HB3 . . 3.930 3.837 3.735 3.970 0.040 17 0 "[ . 1 . 2]" 1
2586 2 35 ASN HB3 2 35 ASN HD22 . . 4.000 3.658 3.436 3.986 . 0 0 "[ . 1 . 2]" 1
2587 2 35 ASN HA 2 36 PHE H . . 3.150 2.898 2.852 2.916 . 0 0 "[ . 1 . 2]" 1
2588 2 35 ASN HB2 2 36 PHE H . . 4.800 4.394 4.108 4.536 . 0 0 "[ . 1 . 2]" 1
2589 2 35 ASN H 2 36 PHE H . . 3.430 2.608 2.579 2.715 . 0 0 "[ . 1 . 2]" 1
2590 2 35 ASN HB3 2 36 PHE H . . 4.800 4.248 4.095 4.574 . 0 0 "[ . 1 . 2]" 1
2591 2 36 PHE H 2 36 PHE QD . . 4.000 3.313 3.201 3.397 . 0 0 "[ . 1 . 2]" 1
2592 2 36 PHE HA 2 36 PHE QE . . 4.320 4.209 4.177 4.247 . 0 0 "[ . 1 . 2]" 1
2593 2 36 PHE H 2 36 PHE HB2 . . 3.370 2.386 2.335 2.428 . 0 0 "[ . 1 . 2]" 1
2594 2 36 PHE H 2 36 PHE HB3 . . 3.710 3.593 3.574 3.608 . 0 0 "[ . 1 . 2]" 1
2595 2 36 PHE HA 2 36 PHE QD . . 3.260 1.847 1.841 1.874 . 0 0 "[ . 1 . 2]" 1
2596 2 36 PHE HB3 2 37 ASP H . . 4.010 1.989 1.941 2.179 . 0 0 "[ . 1 . 2]" 1
2597 2 36 PHE QD 2 37 ASP H . . 4.500 3.783 3.613 3.914 . 0 0 "[ . 1 . 2]" 1
2598 2 36 PHE HB2 2 37 ASP H . . 4.270 3.286 3.184 3.465 . 0 0 "[ . 1 . 2]" 1
2599 2 36 PHE HA 2 37 ASP H . . 2.800 2.622 2.519 2.651 . 0 0 "[ . 1 . 2]" 1
2600 2 36 PHE H 2 37 ASP H . . 5.000 4.513 4.489 4.563 . 0 0 "[ . 1 . 2]" 1
2601 2 36 PHE H 2 38 TRP HD1 . . 5.200 4.672 4.555 4.839 . 0 0 "[ . 1 . 2]" 1
2602 2 36 PHE HB3 2 38 TRP HD1 . . 4.650 4.184 3.901 4.373 . 0 0 "[ . 1 . 2]" 1
2603 2 36 PHE HB2 2 38 TRP HD1 . . 4.650 3.428 3.286 3.566 . 0 0 "[ . 1 . 2]" 1
2604 2 36 PHE HB3 2 51 ILE MD . . 5.400 4.735 4.467 4.873 . 0 0 "[ . 1 . 2]" 1
2605 2 36 PHE QD 2 51 ILE MG . . 3.500 2.998 2.850 3.112 . 0 0 "[ . 1 . 2]" 1
2606 2 36 PHE QD 2 51 ILE HB . . 5.270 5.274 5.110 5.300 0.030 6 0 "[ . 1 . 2]" 1
2607 2 36 PHE QE 2 51 ILE MG . . 4.530 4.300 4.126 4.522 . 0 0 "[ . 1 . 2]" 1
2608 2 36 PHE HA 2 51 ILE MG . . 4.270 4.242 4.129 4.296 0.026 1 0 "[ . 1 . 2]" 1
2609 2 36 PHE HB3 2 51 ILE MG . . 3.500 2.262 2.148 2.372 . 0 0 "[ . 1 . 2]" 1
2610 2 36 PHE QD 2 51 ILE MD . . 4.500 4.084 3.964 4.180 . 0 0 "[ . 1 . 2]" 1
2611 2 36 PHE HB2 2 51 ILE MG . . 3.760 3.093 2.980 3.192 . 0 0 "[ . 1 . 2]" 1
2612 2 36 PHE H 2 51 ILE MG . . 5.200 4.992 4.839 5.108 . 0 0 "[ . 1 . 2]" 1
2613 2 36 PHE QD 2 53 ILE HB . . 4.800 3.249 3.128 3.441 . 0 0 "[ . 1 . 2]" 1
2614 2 36 PHE HB3 2 53 ILE MG . . 4.650 2.331 2.205 2.480 . 0 0 "[ . 1 . 2]" 1
2615 2 36 PHE QE 2 53 ILE MG . . 4.250 2.919 2.833 2.993 . 0 0 "[ . 1 . 2]" 1
2616 2 36 PHE QE 2 53 ILE HB . . 4.800 2.680 2.518 2.991 . 0 0 "[ . 1 . 2]" 1
2617 2 36 PHE HB2 2 53 ILE MG . . 5.240 3.558 3.456 3.692 . 0 0 "[ . 1 . 2]" 1
2618 2 36 PHE QE 2 53 ILE MD . . 4.430 3.696 3.622 3.849 . 0 0 "[ . 1 . 2]" 1
2619 2 36 PHE QD 2 53 ILE MG . . 4.500 2.638 2.614 2.682 . 0 0 "[ . 1 . 2]" 1
2620 2 36 PHE QE 2 54 PRO HD3 . . 4.650 3.366 3.273 3.603 . 0 0 "[ . 1 . 2]" 1
2621 2 36 PHE QE 2 54 PRO HD2 . . 4.210 2.018 1.988 2.296 . 0 0 "[ . 1 . 2]" 1
2622 2 36 PHE QD 2 54 PRO HD3 . . 4.040 2.721 2.570 2.868 . 0 0 "[ . 1 . 2]" 1
2623 2 36 PHE QD 2 54 PRO HD2 . . 3.960 2.573 2.485 2.730 . 0 0 "[ . 1 . 2]" 1
2624 2 36 PHE QD 2 57 MET ME . . 4.550 4.325 4.172 4.480 . 0 0 "[ . 1 . 2]" 1
2625 2 36 PHE QD 2 57 MET HG2 . . 5.500 5.519 5.497 5.564 0.064 11 0 "[ . 1 . 2]" 1
2626 2 36 PHE QE 2 57 MET HG3 . . 4.340 2.017 1.969 2.084 . 0 0 "[ . 1 . 2]" 1
2627 2 36 PHE QD 2 57 MET HG3 . . 4.670 4.121 4.048 4.215 . 0 0 "[ . 1 . 2]" 1
2628 2 36 PHE QE 2 57 MET HG2 . . 4.160 3.487 3.402 3.573 . 0 0 "[ . 1 . 2]" 1
2629 2 36 PHE QE 2 57 MET HB3 . . 4.460 2.507 2.347 2.780 . 0 0 "[ . 1 . 2]" 1
2630 2 36 PHE QE 2 57 MET H . . 5.450 4.939 4.801 5.194 . 0 0 "[ . 1 . 2]" 1
2631 2 36 PHE QE 2 57 MET ME . . 3.020 2.769 2.601 2.936 . 0 0 "[ . 1 . 2]" 1
2632 2 36 PHE QE 2 60 TRP HE3 . . 4.720 3.405 3.056 3.540 . 0 0 "[ . 1 . 2]" 1
2633 2 36 PHE QE 2 60 TRP HZ3 . . 4.070 1.997 1.979 2.144 . 0 0 "[ . 1 . 2]" 1
2634 2 36 PHE QE 2 60 TRP HH2 . . 4.520 3.567 3.369 4.068 . 0 0 "[ . 1 . 2]" 1
2635 2 36 PHE QD 2 61 PHE QE . . 3.220 2.594 2.299 2.748 . 0 0 "[ . 1 . 2]" 1
2636 2 36 PHE QD 2 61 PHE QD . . 4.060 4.040 3.795 4.092 0.032 14 0 "[ . 1 . 2]" 1
2637 2 36 PHE QE 2 61 PHE QD . . 4.290 3.098 2.871 3.226 . 0 0 "[ . 1 . 2]" 1
2638 2 37 ASP H 2 37 ASP HB3 . . 3.790 3.665 3.356 3.787 . 0 0 "[ . 1 . 2]" 1
2639 2 37 ASP H 2 37 ASP HB2 . . 3.570 2.560 2.441 2.659 . 0 0 "[ . 1 . 2]" 1
2640 2 37 ASP H 2 38 TRP H . . 5.000 3.887 3.808 3.963 . 0 0 "[ . 1 . 2]" 1
2641 2 37 ASP HB2 2 38 TRP H . . 4.500 4.556 4.510 4.656 0.156 4 0 "[ . 1 . 2]" 1
2642 2 37 ASP HB3 2 38 TRP H . . 4.080 3.961 3.927 4.079 . 0 0 "[ . 1 . 2]" 1
2643 2 37 ASP HA 2 38 TRP H . . 2.650 2.212 2.211 2.218 . 0 0 "[ . 1 . 2]" 1
2644 2 37 ASP HA 2 38 TRP HD1 . . 3.800 3.751 3.434 3.833 0.033 17 0 "[ . 1 . 2]" 1
2645 2 37 ASP H 2 51 ILE MG . . 3.800 2.747 2.534 2.992 . 0 0 "[ . 1 . 2]" 1
2646 2 37 ASP HB2 2 51 ILE MG . . 4.540 4.347 3.958 4.588 0.048 6 0 "[ . 1 . 2]" 1
2647 2 37 ASP HB3 2 52 LEU H . . 4.500 3.702 3.010 4.267 . 0 0 "[ . 1 . 2]" 1
2648 2 37 ASP HB3 2 52 LEU QD . . 4.500 3.490 3.301 3.655 . 0 0 "[ . 1 . 2]" 1
2649 2 37 ASP H 2 52 LEU HB2 . . 5.500 3.749 3.373 4.055 . 0 0 "[ . 1 . 2]" 1
2650 2 37 ASP H 2 52 LEU H . . 4.650 3.216 2.674 3.449 . 0 0 "[ . 1 . 2]" 1
2651 2 37 ASP H 2 52 LEU HB3 . . 5.500 4.157 3.850 4.665 . 0 0 "[ . 1 . 2]" 1
2652 2 37 ASP HB2 2 52 LEU HB2 . . 3.850 2.080 1.992 2.560 . 0 0 "[ . 1 . 2]" 1
2653 2 37 ASP HB2 2 52 LEU QD . . 4.510 3.419 3.025 4.101 . 0 0 "[ . 1 . 2]" 1
2654 2 37 ASP HB2 2 52 LEU H . . 4.500 3.158 2.802 3.623 . 0 0 "[ . 1 . 2]" 1
2655 2 37 ASP HB3 2 52 LEU HB3 . . 4.500 3.741 3.216 4.119 . 0 0 "[ . 1 . 2]" 1
2656 2 37 ASP HB3 2 52 LEU HB2 . . 3.850 2.666 1.993 3.024 . 0 0 "[ . 1 . 2]" 1
2657 2 37 ASP H 2 52 LEU QD . . 5.180 4.714 4.509 4.858 . 0 0 "[ . 1 . 2]" 1
2658 2 37 ASP HB2 2 52 LEU HB3 . . 4.500 2.561 2.339 2.864 . 0 0 "[ . 1 . 2]" 1
2659 2 37 ASP H 2 53 ILE MG . . 5.200 3.236 3.115 3.367 . 0 0 "[ . 1 . 2]" 1
2660 2 38 TRP H 2 38 TRP HE3 . . 5.500 5.528 5.469 5.573 0.073 5 0 "[ . 1 . 2]" 1
2661 2 38 TRP H 2 38 TRP HB2 . . 3.850 2.395 2.337 2.462 . 0 0 "[ . 1 . 2]" 1
2662 2 38 TRP HA 2 38 TRP HE3 . . 5.200 3.638 3.478 3.875 . 0 0 "[ . 1 . 2]" 1
2663 2 38 TRP H 2 38 TRP HB3 . . 4.000 3.599 3.574 3.618 . 0 0 "[ . 1 . 2]" 1
2664 2 38 TRP H 2 38 TRP HD1 . . 3.350 2.301 2.052 2.380 . 0 0 "[ . 1 . 2]" 1
2665 2 38 TRP HB3 2 39 GLN H . . 5.500 3.024 2.639 3.297 . 0 0 "[ . 1 . 2]" 1
2666 2 38 TRP HB2 2 39 GLN H . . 5.500 4.094 3.779 4.248 . 0 0 "[ . 1 . 2]" 1
2667 2 38 TRP HA 2 39 GLN H . . 2.800 2.209 2.153 2.323 . 0 0 "[ . 1 . 2]" 1
2668 2 38 TRP H 2 39 GLN H . . 5.500 4.578 4.517 4.609 . 0 0 "[ . 1 . 2]" 1
2669 2 38 TRP HA 2 40 ASN H . . 4.200 4.060 3.911 4.204 0.004 15 0 "[ . 1 . 2]" 1
2670 2 38 TRP HE3 2 40 ASN H . . 4.750 3.821 3.627 4.046 . 0 0 "[ . 1 . 2]" 1
2671 2 38 TRP HB3 2 40 ASN H . . 5.500 3.358 3.207 3.571 . 0 0 "[ . 1 . 2]" 1
2672 2 38 TRP HB2 2 40 ASN H . . 5.500 4.788 4.535 4.996 . 0 0 "[ . 1 . 2]" 1
2673 2 38 TRP HZ3 2 41 PRO HA . . 5.500 5.430 5.278 5.536 0.036 6 0 "[ . 1 . 2]" 1
2674 2 38 TRP HE3 2 41 PRO HA . . 4.300 4.340 4.301 4.362 0.062 4 0 "[ . 1 . 2]" 1
2675 2 38 TRP HE3 2 42 PRO HD3 . . 4.650 2.534 2.415 2.663 . 0 0 "[ . 1 . 2]" 1
2676 2 38 TRP HZ3 2 42 PRO HG2 . . 5.200 3.964 3.720 4.186 . 0 0 "[ . 1 . 2]" 1
2677 2 38 TRP HZ3 2 42 PRO HD3 . . 4.800 3.065 2.921 3.185 . 0 0 "[ . 1 . 2]" 1
2678 2 38 TRP HE3 2 42 PRO HD2 . . 4.650 4.045 3.823 4.161 . 0 0 "[ . 1 . 2]" 1
2679 2 38 TRP HZ3 2 42 PRO HD2 . . 4.800 4.351 4.037 4.621 . 0 0 "[ . 1 . 2]" 1
2680 2 38 TRP HZ3 2 42 PRO HG3 . . 5.200 2.259 1.974 2.669 . 0 0 "[ . 1 . 2]" 1
2681 2 38 TRP HZ3 2 49 VAL QG . . 3.800 2.052 1.875 2.587 . 0 0 "[ . 1 . 2]" 1
2682 2 38 TRP HE3 2 49 VAL QG . . 3.800 2.403 1.998 3.267 . 0 0 "[ . 1 . 2]" 1
2683 2 38 TRP HA 2 51 ILE MG . . 3.470 3.062 2.710 3.368 . 0 0 "[ . 1 . 2]" 1
2684 2 38 TRP HB3 2 51 ILE MG . . 5.500 4.567 4.296 4.810 . 0 0 "[ . 1 . 2]" 1
2685 2 38 TRP HE3 2 51 ILE HG13 . . 5.000 4.050 3.625 4.235 . 0 0 "[ . 1 . 2]" 1
2686 2 38 TRP HE3 2 51 ILE MD . . 4.650 3.478 3.313 3.643 . 0 0 "[ . 1 . 2]" 1
2687 2 38 TRP HA 2 51 ILE H . . 5.200 5.180 4.954 5.245 0.045 19 0 "[ . 1 . 2]" 1
2688 2 38 TRP H 2 51 ILE MG . . 4.330 4.057 3.781 4.332 0.002 1 0 "[ . 1 . 2]" 1
2689 2 38 TRP HZ3 2 51 ILE HG12 . . 5.000 3.690 3.248 4.065 . 0 0 "[ . 1 . 2]" 1
2690 2 38 TRP HH2 2 51 ILE MD . . 4.330 2.649 2.503 2.778 . 0 0 "[ . 1 . 2]" 1
2691 2 38 TRP HB2 2 51 ILE MG . . 5.500 4.818 4.613 5.062 . 0 0 "[ . 1 . 2]" 1
2692 2 38 TRP HA 2 51 ILE HA . . 2.800 2.517 2.289 2.593 . 0 0 "[ . 1 . 2]" 1
2693 2 38 TRP HA 2 51 ILE HG13 . . 4.550 4.245 3.775 4.551 0.001 1 0 "[ . 1 . 2]" 1
2694 2 38 TRP HA 2 51 ILE HG12 . . 4.800 2.962 2.613 3.335 . 0 0 "[ . 1 . 2]" 1
2695 2 38 TRP HZ3 2 51 ILE MD . . 4.200 2.605 2.465 2.855 . 0 0 "[ . 1 . 2]" 1
2696 2 38 TRP HZ2 2 51 ILE MD . . 4.800 3.009 2.866 3.173 . 0 0 "[ . 1 . 2]" 1
2697 2 38 TRP HH2 2 51 ILE MG . . 5.500 4.658 4.263 5.122 . 0 0 "[ . 1 . 2]" 1
2698 2 38 TRP HD1 2 51 ILE MG . . 4.800 3.778 3.509 4.134 . 0 0 "[ . 1 . 2]" 1
2699 2 38 TRP HE3 2 51 ILE MG . . 5.200 4.340 4.128 4.550 . 0 0 "[ . 1 . 2]" 1
2700 2 38 TRP HZ3 2 51 ILE HG13 . . 5.000 4.188 3.913 4.396 . 0 0 "[ . 1 . 2]" 1
2701 2 38 TRP HZ2 2 51 ILE MG . . 5.500 3.874 3.670 4.185 . 0 0 "[ . 1 . 2]" 1
2702 2 38 TRP HE3 2 51 ILE HG12 . . 5.000 2.955 2.844 3.100 . 0 0 "[ . 1 . 2]" 1
2703 2 38 TRP HA 2 52 LEU H . . 4.800 3.648 3.404 3.901 . 0 0 "[ . 1 . 2]" 1
2704 2 39 GLN H 2 39 GLN HB3 . . 3.640 3.637 3.559 3.753 0.113 19 0 "[ . 1 . 2]" 1
2705 2 39 GLN H 2 39 GLN HG2 . . 3.660 2.655 2.445 3.095 . 0 0 "[ . 1 . 2]" 1
2706 2 39 GLN H 2 39 GLN HG3 . . 4.540 3.991 3.855 4.194 . 0 0 "[ . 1 . 2]" 1
2707 2 39 GLN HA 2 39 GLN HE21 . . 5.200 3.187 2.385 4.617 . 0 0 "[ . 1 . 2]" 1
2708 2 39 GLN HA 2 39 GLN HE22 . . 5.200 3.455 3.025 4.515 . 0 0 "[ . 1 . 2]" 1
2709 2 39 GLN HE22 2 39 GLN HG2 . . 4.030 3.579 3.436 4.089 0.059 9 0 "[ . 1 . 2]" 1
2710 2 39 GLN HB2 2 39 GLN HE21 . . 4.620 4.105 3.546 4.557 . 0 0 "[ . 1 . 2]" 1
2711 2 39 GLN HB3 2 40 ASN H . . 4.200 3.660 3.376 3.845 . 0 0 "[ . 1 . 2]" 1
2712 2 39 GLN H 2 40 ASN H . . 4.000 2.266 2.035 2.412 . 0 0 "[ . 1 . 2]" 1
2713 2 39 GLN HB2 2 40 ASN H . . 4.200 2.669 2.507 2.800 . 0 0 "[ . 1 . 2]" 1
2714 2 39 GLN H 2 50 VAL QG . . 4.480 3.890 3.160 4.125 . 0 0 "[ . 1 . 2]" 1
2715 2 39 GLN H 2 50 VAL H . . 5.000 4.052 3.713 4.494 . 0 0 "[ . 1 . 2]" 1
2716 2 39 GLN H 2 51 ILE HA . . 4.200 3.362 2.868 3.599 . 0 0 "[ . 1 . 2]" 1
2717 2 39 GLN H 2 51 ILE MG . . 5.200 4.609 4.193 4.847 . 0 0 "[ . 1 . 2]" 1
2718 2 39 GLN HG2 2 52 LEU QD . . 3.800 2.898 2.343 3.228 . 0 0 "[ . 1 . 2]" 1
2719 2 39 GLN HE22 2 52 LEU QD . . 4.850 3.211 2.626 3.969 . 0 0 "[ . 1 . 2]" 1
2720 2 39 GLN HE21 2 52 LEU QD . . 4.200 2.846 1.860 4.421 0.221 9 0 "[ . 1 . 2]" 1
2721 2 39 GLN HG3 2 52 LEU QD . . 3.910 3.256 3.063 3.499 . 0 0 "[ . 1 . 2]" 1
2722 2 40 ASN HA 2 40 ASN HD22 . . 5.370 5.250 5.011 5.386 0.016 9 0 "[ . 1 . 2]" 1
2723 2 40 ASN HB3 2 40 ASN HD22 . . 3.960 3.685 3.460 4.086 0.126 2 0 "[ . 1 . 2]" 1
2724 2 40 ASN HA 2 40 ASN HD21 . . 4.590 4.383 3.850 4.601 0.011 9 0 "[ . 1 . 2]" 1
2725 2 40 ASN H 2 40 ASN HB3 . . 3.850 3.469 3.236 3.609 . 0 0 "[ . 1 . 2]" 1
2726 2 40 ASN H 2 40 ASN HB2 . . 3.850 3.787 3.698 3.874 0.024 12 0 "[ . 1 . 2]" 1
2727 2 40 ASN HB3 2 40 ASN HD21 . . 3.550 2.684 2.181 3.531 . 0 0 "[ . 1 . 2]" 1
2728 2 40 ASN HA 2 41 PRO HD2 . . 3.430 2.325 2.208 2.407 . 0 0 "[ . 1 . 2]" 1
2729 2 40 ASN HB2 2 41 PRO HD3 . . 4.650 3.692 3.461 3.978 . 0 0 "[ . 1 . 2]" 1
2730 2 40 ASN HA 2 41 PRO HG2 . . 5.000 4.452 4.357 4.518 . 0 0 "[ . 1 . 2]" 1
2731 2 40 ASN HB2 2 41 PRO HD2 . . 4.650 2.288 2.014 2.646 . 0 0 "[ . 1 . 2]" 1
2732 2 40 ASN H 2 41 PRO HD3 . . 5.070 4.838 4.753 4.911 . 0 0 "[ . 1 . 2]" 1
2733 2 40 ASN HB3 2 41 PRO HD3 . . 4.650 4.176 3.953 4.404 . 0 0 "[ . 1 . 2]" 1
2734 2 40 ASN H 2 41 PRO HD2 . . 4.820 4.813 4.805 4.820 0.000 9 0 "[ . 1 . 2]" 1
2735 2 40 ASN HA 2 41 PRO HD3 . . 3.070 2.277 2.253 2.302 . 0 0 "[ . 1 . 2]" 1
2736 2 40 ASN HB3 2 41 PRO HD2 . . 4.650 3.160 2.895 3.441 . 0 0 "[ . 1 . 2]" 1
2737 2 40 ASN H 2 41 PRO HA . . 5.300 5.002 4.913 5.066 . 0 0 "[ . 1 . 2]" 1
2738 2 40 ASN HA 2 41 PRO HG3 . . 4.800 4.430 4.371 4.476 . 0 0 "[ . 1 . 2]" 1
2739 2 40 ASN HD22 2 49 VAL HA . . 4.200 2.411 1.862 2.941 . 0 0 "[ . 1 . 2]" 1
2740 2 40 ASN HD21 2 49 VAL HA . . 4.200 3.916 3.415 4.220 0.020 17 0 "[ . 1 . 2]" 1
2741 2 40 ASN H 2 49 VAL QG . . 4.500 3.198 2.664 3.881 . 0 0 "[ . 1 . 2]" 1
2742 2 40 ASN HD21 2 49 VAL QG . . 5.500 3.921 2.601 4.643 . 0 0 "[ . 1 . 2]" 1
2743 2 40 ASN HA 2 49 VAL QG . . 4.940 4.824 4.371 4.954 0.014 7 0 "[ . 1 . 2]" 1
2744 2 40 ASN H 2 49 VAL HA . . 4.800 4.440 3.984 4.719 . 0 0 "[ . 1 . 2]" 1
2745 2 40 ASN HD22 2 49 VAL QG . . 5.500 3.188 1.879 3.943 . 0 0 "[ . 1 . 2]" 1
2746 2 40 ASN H 2 50 VAL QG . . 5.300 4.497 3.230 4.786 . 0 0 "[ . 1 . 2]" 1
2747 2 40 ASN HB3 2 50 VAL H . . 5.120 5.100 4.758 5.224 0.104 17 0 "[ . 1 . 2]" 1
2748 2 40 ASN HD22 2 50 VAL QG . . 5.500 3.612 2.209 5.068 . 0 0 "[ . 1 . 2]" 1
2749 2 40 ASN HD21 2 50 VAL H . . 4.750 4.475 4.019 4.908 0.158 7 0 "[ . 1 . 2]" 1
2750 2 40 ASN HB2 2 50 VAL H . . 5.500 5.382 5.177 5.545 0.045 7 0 "[ . 1 . 2]" 1
2751 2 40 ASN HD21 2 50 VAL QG . . 5.500 4.729 3.400 6.014 0.514 2 1 "[ + . 1 . 2]" 1
2752 2 40 ASN HD22 2 50 VAL H . . 4.580 3.025 2.468 3.561 . 0 0 "[ . 1 . 2]" 1
2753 2 40 ASN H 2 50 VAL H . . 4.080 3.689 3.462 3.990 . 0 0 "[ . 1 . 2]" 1
2754 2 40 ASN H 2 51 ILE HA . . 5.490 5.377 5.072 5.523 0.033 7 0 "[ . 1 . 2]" 1
2755 2 41 PRO HA 2 42 PRO HD3 . . 3.350 2.404 2.380 2.448 . 0 0 "[ . 1 . 2]" 1
2756 2 41 PRO HA 2 42 PRO HD2 . . 3.420 1.940 1.927 1.950 . 0 0 "[ . 1 . 2]" 1
2757 2 41 PRO HA 2 49 VAL QG . . 5.000 4.236 3.830 4.545 . 0 0 "[ . 1 . 2]" 1
2758 2 42 PRO HA 2 43 THR H . . 3.000 2.422 2.207 2.504 . 0 0 "[ . 1 . 2]" 1
2759 2 42 PRO HA 2 44 GLU H . . 4.800 3.760 3.273 4.210 . 0 0 "[ . 1 . 2]" 1
2760 2 42 PRO HD3 2 49 VAL QG . . 4.700 2.732 2.067 3.184 . 0 0 "[ . 1 . 2]" 1
2761 2 42 PRO HA 2 49 VAL QG . . 3.500 2.377 2.039 3.423 . 0 0 "[ . 1 . 2]" 1
2762 2 42 PRO HD2 2 49 VAL QG . . 4.500 4.028 3.584 4.440 . 0 0 "[ . 1 . 2]" 1
2763 2 43 THR H 2 43 THR MG . . 4.200 3.872 3.320 3.972 . 0 0 "[ . 1 . 2]" 1
2764 2 43 THR HB 2 44 GLU QG . . 4.800 3.476 2.843 4.715 . 0 0 "[ . 1 . 2]" 1
2765 2 43 THR MG 2 44 GLU H . . 4.200 3.907 3.417 4.219 0.019 6 0 "[ . 1 . 2]" 1
2766 2 43 THR H 2 44 GLU H . . 3.500 1.953 1.852 2.253 . 0 0 "[ . 1 . 2]" 1
2767 2 43 THR HB 2 44 GLU H . . 3.500 2.900 2.294 3.543 0.043 14 0 "[ . 1 . 2]" 1
2768 2 44 GLU H 2 44 GLU QG . . 4.500 2.721 1.904 3.508 . 0 0 "[ . 1 . 2]" 1
2769 2 44 GLU HA 2 44 GLU QG . . 3.800 2.656 2.196 3.419 . 0 0 "[ . 1 . 2]" 1
2770 2 44 GLU H 2 45 PRO HD3 . . 5.500 4.627 4.294 4.892 . 0 0 "[ . 1 . 2]" 1
2771 2 44 GLU HA 2 45 PRO HD2 . . 3.140 2.007 1.919 2.153 . 0 0 "[ . 1 . 2]" 1
2772 2 44 GLU HA 2 45 PRO HG3 . . 4.530 4.328 4.314 4.349 . 0 0 "[ . 1 . 2]" 1
2773 2 44 GLU H 2 45 PRO HD2 . . 5.500 4.771 4.656 4.834 . 0 0 "[ . 1 . 2]" 1
2774 2 44 GLU HA 2 45 PRO HD3 . . 3.310 2.322 2.252 2.427 . 0 0 "[ . 1 . 2]" 1
2775 2 44 GLU QG 2 45 PRO HD3 . . 5.000 4.592 3.840 5.058 0.058 9 0 "[ . 1 . 2]" 1
2776 2 44 GLU QG 2 45 PRO HD2 . . 5.500 3.859 2.895 4.744 . 0 0 "[ . 1 . 2]" 1
2777 2 44 GLU H 2 47 GLN H . . 5.500 5.463 5.331 5.570 0.070 10 0 "[ . 1 . 2]" 1
2778 2 45 PRO HA 2 46 GLY H . . 2.870 2.175 2.155 2.205 . 0 0 "[ . 1 . 2]" 1
2779 2 45 PRO HB3 2 46 GLY H . . 4.500 3.927 3.811 4.100 . 0 0 "[ . 1 . 2]" 1
2780 2 45 PRO HA 2 46 GLY HA3 . . 4.570 4.426 4.398 4.453 . 0 0 "[ . 1 . 2]" 1
2781 2 45 PRO HB2 2 46 GLY H . . 4.500 3.418 3.237 3.675 . 0 0 "[ . 1 . 2]" 1
2782 2 45 PRO HA 2 46 GLY HA2 . . 4.700 4.427 4.389 4.459 . 0 0 "[ . 1 . 2]" 1
2783 2 45 PRO HA 2 47 GLN H . . 4.500 3.375 3.286 3.542 . 0 0 "[ . 1 . 2]" 1
2784 2 46 GLY H 2 47 GLN H . . 3.240 2.486 2.267 2.646 . 0 0 "[ . 1 . 2]" 1
2785 2 46 GLY HA3 2 47 GLN H . . 4.000 3.239 3.111 3.395 . 0 0 "[ . 1 . 2]" 1
2786 2 46 GLY H 2 47 GLN HA . . 5.280 5.066 4.971 5.218 . 0 0 "[ . 1 . 2]" 1
2787 2 46 GLY HA2 2 47 GLN H . . 4.000 3.306 3.136 3.411 . 0 0 "[ . 1 . 2]" 1
2788 2 47 GLN H 2 47 GLN HG3 . . 4.550 4.120 2.903 4.559 0.009 8 0 "[ . 1 . 2]" 1
2789 2 47 GLN H 2 47 GLN HG2 . . 4.550 3.733 2.416 4.599 0.049 3 0 "[ . 1 . 2]" 1
2790 2 47 GLN HA 2 47 GLN HG3 . . 4.030 3.117 2.384 3.694 . 0 0 "[ . 1 . 2]" 1
2791 2 47 GLN HA 2 47 GLN HG2 . . 4.190 3.089 2.259 3.812 . 0 0 "[ . 1 . 2]" 1
2792 2 47 GLN H 2 47 GLN HB2 . . 3.010 2.527 2.180 3.678 0.668 11 1 "[ . 1+ . 2]" 1
2793 2 47 GLN HA 2 48 PRO HG3 . . 4.320 4.356 4.316 4.431 0.111 6 0 "[ . 1 . 2]" 1
2794 2 47 GLN H 2 48 PRO HD3 . . 4.820 4.825 4.503 4.985 0.165 4 0 "[ . 1 . 2]" 1
2795 2 47 GLN H 2 48 PRO HD2 . . 4.910 4.819 4.735 4.843 . 0 0 "[ . 1 . 2]" 1
2796 2 47 GLN HA 2 48 PRO HD2 . . 3.350 2.137 1.939 2.331 . 0 0 "[ . 1 . 2]" 1
2797 2 47 GLN HA 2 48 PRO HD3 . . 3.270 2.277 2.251 2.376 . 0 0 "[ . 1 . 2]" 1
2798 2 48 PRO HB2 2 49 VAL H . . 4.510 3.862 3.488 4.067 . 0 0 "[ . 1 . 2]" 1
2799 2 48 PRO HA 2 49 VAL H . . 3.050 2.190 2.151 2.250 . 0 0 "[ . 1 . 2]" 1
2800 2 48 PRO HB3 2 49 VAL H . . 4.010 4.236 3.970 4.391 0.381 15 0 "[ . 1 . 2]" 1
2801 2 49 VAL HA 2 49 VAL QG . . 3.300 2.098 2.045 2.234 . 0 0 "[ . 1 . 2]" 1
2802 2 49 VAL H 2 49 VAL QG . . 3.500 2.387 1.871 2.726 . 0 0 "[ . 1 . 2]" 1
2803 2 49 VAL H 2 49 VAL HB . . 4.000 2.637 2.476 3.643 . 0 0 "[ . 1 . 2]" 1
2804 2 49 VAL QG 2 50 VAL H . . 4.000 2.685 2.063 3.556 . 0 0 "[ . 1 . 2]" 1
2805 2 49 VAL HB 2 50 VAL H . . 4.610 4.199 3.276 4.391 . 0 0 "[ . 1 . 2]" 1
2806 2 49 VAL H 2 50 VAL H . . 4.920 4.396 4.231 4.567 . 0 0 "[ . 1 . 2]" 1
2807 2 49 VAL HA 2 50 VAL H . . 3.130 2.151 2.140 2.198 . 0 0 "[ . 1 . 2]" 1
2808 2 49 VAL QG 2 51 ILE MD . . 3.200 2.411 2.164 2.708 . 0 0 "[ . 1 . 2]" 1
2809 2 49 VAL HB 2 51 ILE MD . . 4.890 3.818 3.156 4.839 . 0 0 "[ . 1 . 2]" 1
2810 2 49 VAL QG 2 51 ILE HG12 . . 3.500 2.875 2.594 3.363 . 0 0 "[ . 1 . 2]" 1
2811 2 49 VAL QG 2 51 ILE MG . . 4.470 4.292 3.984 4.519 0.049 7 0 "[ . 1 . 2]" 1
2812 2 50 VAL H 2 50 VAL QG . . 4.000 2.388 1.894 2.556 . 0 0 "[ . 1 . 2]" 1
2813 2 50 VAL H 2 50 VAL HB . . 3.800 2.593 2.487 2.931 . 0 0 "[ . 1 . 2]" 1
2814 2 50 VAL H 2 51 ILE MD . . 5.500 5.359 5.179 5.464 . 0 0 "[ . 1 . 2]" 1
2815 2 50 VAL H 2 51 ILE H . . 4.810 4.494 4.325 4.554 . 0 0 "[ . 1 . 2]" 1
2816 2 50 VAL HB 2 51 ILE H . . 4.350 4.090 3.918 4.372 0.022 7 0 "[ . 1 . 2]" 1
2817 2 50 VAL HA 2 51 ILE H . . 3.100 2.171 2.140 2.213 . 0 0 "[ . 1 . 2]" 1
2818 2 50 VAL QG 2 51 ILE MG . . 5.160 4.673 4.451 4.815 . 0 0 "[ . 1 . 2]" 1
2819 2 50 VAL H 2 51 ILE HG13 . . 4.360 4.320 4.189 4.398 0.038 6 0 "[ . 1 . 2]" 1
2820 2 50 VAL QG 2 51 ILE H . . 3.540 2.411 2.114 2.853 . 0 0 "[ . 1 . 2]" 1
2821 2 51 ILE HA 2 51 ILE MG . . 3.230 2.268 2.187 2.367 . 0 0 "[ . 1 . 2]" 1
2822 2 51 ILE HG12 2 51 ILE MG . . 3.290 2.260 2.106 2.334 . 0 0 "[ . 1 . 2]" 1
2823 2 51 ILE H 2 51 ILE MD . . 4.500 4.017 3.776 4.182 . 0 0 "[ . 1 . 2]" 1
2824 2 51 ILE HA 2 51 ILE HG12 . . 4.080 2.677 2.631 2.759 . 0 0 "[ . 1 . 2]" 1
2825 2 51 ILE H 2 51 ILE MG . . 4.140 3.931 3.879 3.971 . 0 0 "[ . 1 . 2]" 1
2826 2 51 ILE H 2 51 ILE HG12 . . 4.390 3.982 3.705 4.191 . 0 0 "[ . 1 . 2]" 1
2827 2 51 ILE HB 2 51 ILE MD . . 3.150 2.320 2.186 2.379 . 0 0 "[ . 1 . 2]" 1
2828 2 51 ILE HG13 2 51 ILE MG . . 3.300 3.182 3.152 3.197 . 0 0 "[ . 1 . 2]" 1
2829 2 51 ILE H 2 51 ILE HB . . 3.710 2.838 2.712 2.944 . 0 0 "[ . 1 . 2]" 1
2830 2 51 ILE H 2 51 ILE HG13 . . 3.750 2.794 2.436 2.944 . 0 0 "[ . 1 . 2]" 1
2831 2 51 ILE HG13 2 52 LEU H . . 5.130 5.068 4.817 5.146 0.016 6 0 "[ . 1 . 2]" 1
2832 2 51 ILE HG12 2 52 LEU H . . 4.910 4.647 4.294 4.778 . 0 0 "[ . 1 . 2]" 1
2833 2 51 ILE MG 2 52 LEU HB3 . . 5.500 5.008 4.659 5.241 . 0 0 "[ . 1 . 2]" 1
2834 2 51 ILE HB 2 52 LEU H . . 4.470 4.180 3.770 4.328 . 0 0 "[ . 1 . 2]" 1
2835 2 51 ILE MG 2 52 LEU H . . 3.230 2.618 1.929 2.902 . 0 0 "[ . 1 . 2]" 1
2836 2 51 ILE MG 2 52 LEU HB2 . . 4.670 4.337 3.957 4.521 . 0 0 "[ . 1 . 2]" 1
2837 2 51 ILE HA 2 52 LEU H . . 3.200 2.165 2.142 2.267 . 0 0 "[ . 1 . 2]" 1
2838 2 51 ILE H 2 52 LEU QD . . 4.510 4.036 3.631 4.490 . 0 0 "[ . 1 . 2]" 1
2839 2 51 ILE MG 2 52 LEU QD . . 4.760 4.385 3.921 4.628 . 0 0 "[ . 1 . 2]" 1
2840 2 51 ILE HA 2 52 LEU QD . . 4.120 3.720 3.252 3.972 . 0 0 "[ . 1 . 2]" 1
2841 2 51 ILE HB 2 53 ILE MG . . 3.950 3.097 2.935 3.185 . 0 0 "[ . 1 . 2]" 1
2842 2 51 ILE HG12 2 53 ILE MG . . 5.250 4.969 4.759 5.103 . 0 0 "[ . 1 . 2]" 1
2843 2 51 ILE MG 2 53 ILE MG . . 3.190 2.041 1.874 2.219 . 0 0 "[ . 1 . 2]" 1
2844 2 51 ILE MG 2 53 ILE HB . . 4.830 4.494 4.346 4.654 . 0 0 "[ . 1 . 2]" 1
2845 2 51 ILE HG13 2 53 ILE MG . . 5.500 5.159 5.012 5.227 . 0 0 "[ . 1 . 2]" 1
2846 2 51 ILE H 2 53 ILE MG . . 5.150 5.019 4.854 5.165 0.015 5 0 "[ . 1 . 2]" 1
2847 2 51 ILE MG 2 61 PHE QE . . 3.120 2.310 1.964 2.794 . 0 0 "[ . 1 . 2]" 1
2848 2 51 ILE HG12 2 61 PHE QE . . 5.200 4.905 4.563 5.082 . 0 0 "[ . 1 . 2]" 1
2849 2 51 ILE MG 2 61 PHE QD . . 4.710 3.832 3.447 4.172 . 0 0 "[ . 1 . 2]" 1
2850 2 51 ILE MD 2 61 PHE QE . . 3.020 2.877 2.636 3.033 0.013 6 0 "[ . 1 . 2]" 1
2851 2 51 ILE MD 2 61 PHE QD . . 4.860 4.393 4.134 4.483 . 0 0 "[ . 1 . 2]" 1
2852 2 51 ILE HB 2 61 PHE QE . . 3.790 3.636 3.459 3.800 0.010 5 0 "[ . 1 . 2]" 1
2853 2 51 ILE HG13 2 61 PHE QE . . 5.200 5.157 4.913 5.240 0.040 19 0 "[ . 1 . 2]" 1
2854 2 52 LEU H 2 52 LEU HB3 . . 3.830 3.432 3.376 3.522 . 0 0 "[ . 1 . 2]" 1
2855 2 52 LEU HB3 2 52 LEU QD . . 2.970 2.122 1.942 2.299 . 0 0 "[ . 1 . 2]" 1
2856 2 52 LEU H 2 52 LEU HG . . 4.220 4.127 3.902 4.277 0.057 11 0 "[ . 1 . 2]" 1
2857 2 52 LEU H 2 52 LEU QD . . 3.520 2.699 2.424 3.022 . 0 0 "[ . 1 . 2]" 1
2858 2 52 LEU H 2 52 LEU HB2 . . 3.420 2.175 2.115 2.322 . 0 0 "[ . 1 . 2]" 1
2859 2 52 LEU H 2 53 ILE MG . . 5.500 4.043 3.716 4.211 . 0 0 "[ . 1 . 2]" 1
2860 2 52 LEU HB3 2 53 ILE H . . 4.210 3.867 3.748 3.966 . 0 0 "[ . 1 . 2]" 1
2861 2 52 LEU HB2 2 53 ILE H . . 4.790 4.581 4.546 4.608 . 0 0 "[ . 1 . 2]" 1
2862 2 52 LEU HA 2 53 ILE H . . 3.500 2.177 2.146 2.207 . 0 0 "[ . 1 . 2]" 1
2863 2 53 ILE H 2 53 ILE MD . . 4.580 3.833 3.757 3.912 . 0 0 "[ . 1 . 2]" 1
2864 2 53 ILE H 2 53 ILE HB . . 4.100 3.781 3.736 3.828 . 0 0 "[ . 1 . 2]" 1
2865 2 53 ILE HG13 2 53 ILE MG . . 3.690 3.184 3.105 3.196 . 0 0 "[ . 1 . 2]" 1
2866 2 53 ILE MD 2 53 ILE MG . . 3.140 2.160 2.056 2.571 . 0 0 "[ . 1 . 2]" 1
2867 2 53 ILE HB 2 53 ILE MD . . 3.630 2.348 2.076 2.413 . 0 0 "[ . 1 . 2]" 1
2868 2 53 ILE H 2 53 ILE HG13 . . 4.030 3.105 2.448 3.314 . 0 0 "[ . 1 . 2]" 1
2869 2 53 ILE H 2 53 ILE MG . . 4.650 2.761 2.613 2.889 . 0 0 "[ . 1 . 2]" 1
2870 2 53 ILE H 2 53 ILE HG12 . . 4.430 2.233 2.134 2.539 . 0 0 "[ . 1 . 2]" 1
2871 2 53 ILE H 2 54 PRO HD2 . . 5.180 4.817 4.815 4.821 . 0 0 "[ . 1 . 2]" 1
2872 2 53 ILE HB 2 54 PRO HD2 . . 4.340 1.968 1.954 1.983 . 0 0 "[ . 1 . 2]" 1
2873 2 53 ILE MD 2 54 PRO HD3 . . 5.480 5.212 4.941 5.264 . 0 0 "[ . 1 . 2]" 1
2874 2 53 ILE MG 2 54 PRO HD2 . . 4.500 3.298 3.150 3.385 . 0 0 "[ . 1 . 2]" 1
2875 2 53 ILE MD 2 54 PRO HD2 . . 4.510 3.893 3.590 3.957 . 0 0 "[ . 1 . 2]" 1
2876 2 53 ILE MG 2 54 PRO HD3 . . 4.500 4.010 3.876 4.083 . 0 0 "[ . 1 . 2]" 1
2877 2 53 ILE HB 2 54 PRO HD3 . . 4.840 3.413 3.400 3.431 . 0 0 "[ . 1 . 2]" 1
2878 2 53 ILE H 2 54 PRO HD3 . . 5.230 4.993 4.956 5.016 . 0 0 "[ . 1 . 2]" 1
2879 2 53 ILE MD 2 55 SER HA . . 5.350 4.960 4.258 5.096 . 0 0 "[ . 1 . 2]" 1
2880 2 53 ILE HB 2 57 MET HB2 . . 4.830 2.739 2.646 2.893 . 0 0 "[ . 1 . 2]" 1
2881 2 53 ILE MD 2 57 MET HB3 . . 4.500 3.210 3.093 3.287 . 0 0 "[ . 1 . 2]" 1
2882 2 53 ILE MG 2 57 MET HB3 . . 5.050 4.077 3.958 4.182 . 0 0 "[ . 1 . 2]" 1
2883 2 53 ILE MD 2 57 MET H . . 4.300 4.262 3.745 4.324 0.024 20 0 "[ . 1 . 2]" 1
2884 2 53 ILE MD 2 57 MET HB2 . . 4.390 3.292 3.088 3.434 . 0 0 "[ . 1 . 2]" 1
2885 2 53 ILE MG 2 57 MET HB2 . . 4.940 4.132 4.050 4.266 . 0 0 "[ . 1 . 2]" 1
2886 2 53 ILE MD 2 57 MET ME . . 4.240 4.252 4.239 4.290 0.050 6 0 "[ . 1 . 2]" 1
2887 2 53 ILE MG 2 57 MET ME . . 4.860 4.450 4.335 4.545 . 0 0 "[ . 1 . 2]" 1
2888 2 53 ILE MD 2 58 VAL HA . . 3.400 2.010 1.903 2.155 . 0 0 "[ . 1 . 2]" 1
2889 2 53 ILE MD 2 58 VAL HB . . 4.540 3.868 2.851 4.535 . 0 0 "[ . 1 . 2]" 1
2890 2 53 ILE MD 2 58 VAL QG . . 3.410 2.767 2.227 3.227 . 0 0 "[ . 1 . 2]" 1
2891 2 53 ILE MD 2 58 VAL H . . 4.340 3.783 3.265 3.910 . 0 0 "[ . 1 . 2]" 1
2892 2 53 ILE MG 2 58 VAL HA . . 5.020 4.971 4.828 5.059 0.039 6 0 "[ . 1 . 2]" 1
2893 2 53 ILE MG 2 61 PHE HB3 . . 5.320 4.560 4.300 4.785 . 0 0 "[ . 1 . 2]" 1
2894 2 53 ILE MD 2 61 PHE HB2 . . 4.320 2.283 2.148 2.460 . 0 0 "[ . 1 . 2]" 1
2895 2 53 ILE MD 2 61 PHE QD . . 3.800 1.933 1.885 2.152 . 0 0 "[ . 1 . 2]" 1
2896 2 53 ILE MG 2 61 PHE QE . . 3.670 2.403 1.936 2.633 . 0 0 "[ . 1 . 2]" 1
2897 2 53 ILE MD 2 61 PHE HB3 . . 4.260 2.722 2.522 2.913 . 0 0 "[ . 1 . 2]" 1
2898 2 53 ILE MD 2 61 PHE QE . . 3.880 3.625 3.527 3.900 0.020 18 0 "[ . 1 . 2]" 1
2899 2 53 ILE MG 2 61 PHE HB2 . . 5.240 3.901 3.737 4.085 . 0 0 "[ . 1 . 2]" 1
2900 2 53 ILE MD 2 61 PHE H . . 4.570 3.569 3.433 3.727 . 0 0 "[ . 1 . 2]" 1
2901 2 53 ILE MG 2 61 PHE QD . . 5.200 2.072 1.916 2.300 . 0 0 "[ . 1 . 2]" 1
2902 2 54 PRO HB3 2 55 SER H . . 4.020 3.588 3.545 3.628 . 0 0 "[ . 1 . 2]" 1
2903 2 54 PRO HA 2 55 SER H . . 2.980 2.307 2.283 2.333 . 0 0 "[ . 1 . 2]" 1
2904 2 54 PRO HB2 2 55 SER H . . 4.010 2.866 2.789 2.937 . 0 0 "[ . 1 . 2]" 1
2905 2 54 PRO HG3 2 56 ASP QB . . 4.510 4.244 4.062 4.373 . 0 0 "[ . 1 . 2]" 1
2906 2 54 PRO HG2 2 56 ASP H . . 3.710 3.393 3.304 3.475 . 0 0 "[ . 1 . 2]" 1
2907 2 54 PRO HD2 2 56 ASP H . . 5.400 5.244 5.169 5.313 . 0 0 "[ . 1 . 2]" 1
2908 2 54 PRO HG2 2 56 ASP QB . . 4.180 3.535 3.330 3.645 . 0 0 "[ . 1 . 2]" 1
2909 2 54 PRO HB2 2 56 ASP H . . 3.940 2.168 2.147 2.195 . 0 0 "[ . 1 . 2]" 1
2910 2 54 PRO HG3 2 56 ASP H . . 4.790 4.503 4.438 4.566 . 0 0 "[ . 1 . 2]" 1
2911 2 54 PRO HG3 2 57 MET HG2 . . 4.120 3.383 3.268 3.550 . 0 0 "[ . 1 . 2]" 1
2912 2 54 PRO HB2 2 57 MET H . . 3.870 3.581 3.374 3.738 . 0 0 "[ . 1 . 2]" 1
2913 2 54 PRO HG2 2 57 MET H . . 3.490 3.056 2.844 3.245 . 0 0 "[ . 1 . 2]" 1
2914 2 54 PRO HD3 2 57 MET HG2 . . 5.400 4.963 4.841 5.089 . 0 0 "[ . 1 . 2]" 1
2915 2 54 PRO HD2 2 57 MET ME . . 4.840 4.498 4.317 4.729 . 0 0 "[ . 1 . 2]" 1
2916 2 54 PRO HD2 2 57 MET HG2 . . 4.940 3.943 3.819 4.116 . 0 0 "[ . 1 . 2]" 1
2917 2 54 PRO HG2 2 57 MET HG2 . . 4.340 2.268 2.159 2.404 . 0 0 "[ . 1 . 2]" 1
2918 2 54 PRO HD2 2 57 MET H . . 4.940 4.409 4.254 4.571 . 0 0 "[ . 1 . 2]" 1
2919 2 54 PRO HB2 2 58 VAL H . . 5.500 5.448 5.269 5.541 0.041 3 0 "[ . 1 . 2]" 1
2920 2 55 SER H 2 55 SER HB2 . . 3.600 2.719 2.252 3.411 . 0 0 "[ . 1 . 2]" 1
2921 2 55 SER H 2 55 SER HB3 . . 3.310 2.916 2.110 3.595 0.285 12 0 "[ . 1 . 2]" 1
2922 2 55 SER HB3 2 56 ASP H . . 3.600 3.735 3.239 4.450 0.850 9 6 "[ * . +1 - .** *]" 1
2923 2 55 SER HA 2 57 MET H . . 3.960 3.495 3.408 3.589 . 0 0 "[ . 1 . 2]" 1
2924 2 55 SER HB2 2 57 MET H . . 5.500 5.253 4.902 5.527 0.027 19 0 "[ . 1 . 2]" 1
2925 2 55 SER HA 2 58 VAL H . . 3.790 3.447 3.273 3.583 . 0 0 "[ . 1 . 2]" 1
2926 2 55 SER HA 2 58 VAL QG . . 3.200 2.227 1.870 2.885 . 0 0 "[ . 1 . 2]" 1
2927 2 55 SER HA 2 59 GLU H . . 5.500 5.444 5.284 5.532 0.032 15 0 "[ . 1 . 2]" 1
2928 2 56 ASP H 2 56 ASP QB . . 3.370 2.437 2.190 2.681 . 0 0 "[ . 1 . 2]" 1
2929 2 56 ASP H 2 57 MET H . . 3.160 2.449 2.351 2.538 . 0 0 "[ . 1 . 2]" 1
2930 2 56 ASP QB 2 57 MET H . . 4.720 3.436 3.289 3.586 . 0 0 "[ . 1 . 2]" 1
2931 2 56 ASP H 2 58 VAL H . . 4.350 4.026 3.903 4.125 . 0 0 "[ . 1 . 2]" 1
2932 2 56 ASP H 2 58 VAL QG . . 4.350 4.095 3.839 4.355 0.005 20 0 "[ . 1 . 2]" 1
2933 2 56 ASP HA 2 58 VAL H . . 4.180 3.882 3.816 3.932 . 0 0 "[ . 1 . 2]" 1
2934 2 56 ASP HA 2 59 GLU H . . 5.380 4.973 4.796 5.093 . 0 0 "[ . 1 . 2]" 1
2935 2 57 MET HB2 2 57 MET ME . . 4.070 3.433 3.396 3.501 . 0 0 "[ . 1 . 2]" 1
2936 2 57 MET ME 2 57 MET HG2 . . 3.410 3.397 3.389 3.400 . 0 0 "[ . 1 . 2]" 1
2937 2 57 MET H 2 57 MET ME . . 5.370 5.009 4.953 5.064 . 0 0 "[ . 1 . 2]" 1
2938 2 57 MET ME 2 57 MET HG3 . . 3.440 2.460 2.386 2.505 . 0 0 "[ . 1 . 2]" 1
2939 2 57 MET H 2 57 MET HG2 . . 4.200 3.246 3.143 3.351 . 0 0 "[ . 1 . 2]" 1
2940 2 57 MET H 2 57 MET HB2 . . 3.340 2.612 2.510 2.709 . 0 0 "[ . 1 . 2]" 1
2941 2 57 MET H 2 57 MET HB3 . . 3.860 3.755 3.692 3.811 . 0 0 "[ . 1 . 2]" 1
2942 2 57 MET HB3 2 57 MET ME . . 3.000 2.040 1.952 2.158 . 0 0 "[ . 1 . 2]" 1
2943 2 57 MET HA 2 57 MET ME . . 4.120 3.100 2.984 3.262 . 0 0 "[ . 1 . 2]" 1
2944 2 57 MET HA 2 57 MET HG3 . . 3.800 3.711 3.699 3.721 . 0 0 "[ . 1 . 2]" 1
2945 2 57 MET H 2 57 MET HG3 . . 4.500 4.366 4.280 4.467 . 0 0 "[ . 1 . 2]" 1
2946 2 57 MET HA 2 57 MET HG2 . . 3.770 2.902 2.849 2.938 . 0 0 "[ . 1 . 2]" 1
2947 2 57 MET HB3 2 58 VAL H . . 4.400 4.281 4.221 4.316 . 0 0 "[ . 1 . 2]" 1
2948 2 57 MET H 2 58 VAL QG . . 3.500 3.082 2.765 3.464 . 0 0 "[ . 1 . 2]" 1
2949 2 57 MET HA 2 58 VAL QG . . 5.140 4.371 4.096 4.618 . 0 0 "[ . 1 . 2]" 1
2950 2 57 MET H 2 58 VAL H . . 3.060 1.985 1.889 2.071 . 0 0 "[ . 1 . 2]" 1
2951 2 57 MET H 2 58 VAL HA . . 4.830 4.317 4.244 4.400 . 0 0 "[ . 1 . 2]" 1
2952 2 57 MET HG2 2 58 VAL H . . 5.020 4.818 4.781 4.856 . 0 0 "[ . 1 . 2]" 1
2953 2 57 MET H 2 58 VAL HB . . 5.310 4.382 4.064 5.318 0.008 18 0 "[ . 1 . 2]" 1
2954 2 57 MET HA 2 59 GLU H . . 4.470 4.066 3.885 4.390 . 0 0 "[ . 1 . 2]" 1
2955 2 57 MET H 2 59 GLU H . . 4.600 4.394 4.161 4.615 0.015 15 0 "[ . 1 . 2]" 1
2956 2 57 MET ME 2 60 TRP HE3 . . 3.230 2.768 2.514 2.892 . 0 0 "[ . 1 . 2]" 1
2957 2 57 MET ME 2 60 TRP HB3 . . 5.000 2.609 2.409 2.730 . 0 0 "[ . 1 . 2]" 1
2958 2 57 MET ME 2 60 TRP HZ3 . . 3.990 3.898 3.711 4.014 0.024 18 0 "[ . 1 . 2]" 1
2959 2 57 MET ME 2 60 TRP HD1 . . 4.850 4.216 3.760 4.589 . 0 0 "[ . 1 . 2]" 1
2960 2 57 MET HA 2 60 TRP HE3 . . 5.010 4.796 4.638 4.996 . 0 0 "[ . 1 . 2]" 1
2961 2 57 MET ME 2 60 TRP HB2 . . 5.000 3.423 3.217 3.649 . 0 0 "[ . 1 . 2]" 1
2962 2 57 MET ME 2 60 TRP H . . 4.720 4.519 4.325 4.647 . 0 0 "[ . 1 . 2]" 1
2963 2 57 MET HA 2 60 TRP H . . 4.120 3.308 3.123 3.466 . 0 0 "[ . 1 . 2]" 1
2964 2 57 MET HA 2 61 PHE H . . 4.710 4.327 4.189 4.466 . 0 0 "[ . 1 . 2]" 1
2965 2 57 MET ME 2 61 PHE H . . 4.110 4.027 3.721 4.121 0.011 7 0 "[ . 1 . 2]" 1
2966 2 57 MET ME 2 61 PHE QD . . 4.980 4.528 4.352 4.671 . 0 0 "[ . 1 . 2]" 1
2967 2 58 VAL H 2 58 VAL HB . . 3.650 2.762 2.455 3.621 . 0 0 "[ . 1 . 2]" 1
2968 2 58 VAL H 2 58 VAL QG . . 3.040 2.003 1.827 2.221 . 0 0 "[ . 1 . 2]" 1
2969 2 58 VAL HA 2 58 VAL QG . . 3.200 2.227 2.106 2.313 . 0 0 "[ . 1 . 2]" 1
2970 2 58 VAL H 2 59 GLU HG3 . . 5.500 4.512 3.910 5.496 . 0 0 "[ . 1 . 2]" 1
2971 2 58 VAL QG 2 59 GLU HG2 . . 4.500 3.065 2.014 4.277 . 0 0 "[ . 1 . 2]" 1
2972 2 58 VAL H 2 59 GLU HA . . 5.280 5.230 5.137 5.295 0.015 1 0 "[ . 1 . 2]" 1
2973 2 58 VAL H 2 59 GLU HG2 . . 5.500 4.982 3.642 5.614 0.114 5 0 "[ . 1 . 2]" 1
2974 2 58 VAL QG 2 59 GLU HG3 . . 4.500 3.365 2.303 4.986 0.486 14 0 "[ . 1 . 2]" 1
2975 2 58 VAL H 2 59 GLU QB . . 4.960 4.704 4.531 5.006 0.046 14 0 "[ . 1 . 2]" 1
2976 2 58 VAL QG 2 59 GLU HA . . 3.800 3.276 3.055 3.462 . 0 0 "[ . 1 . 2]" 1
2977 2 58 VAL H 2 59 GLU H . . 3.340 2.621 2.509 2.687 . 0 0 "[ . 1 . 2]" 1
2978 2 58 VAL QG 2 59 GLU H . . 3.800 2.383 1.872 3.173 . 0 0 "[ . 1 . 2]" 1
2979 2 58 VAL HA 2 59 GLU HA . . 4.950 4.798 4.756 4.837 . 0 0 "[ . 1 . 2]" 1
2980 2 58 VAL HB 2 59 GLU H . . 3.850 3.266 2.325 3.937 0.087 19 0 "[ . 1 . 2]" 1
2981 2 58 VAL HA 2 60 TRP HE3 . . 5.500 5.367 5.138 5.511 0.011 5 0 "[ . 1 . 2]" 1
2982 2 58 VAL H 2 60 TRP H . . 4.240 4.069 3.939 4.242 0.002 19 0 "[ . 1 . 2]" 1
2983 2 58 VAL QG 2 60 TRP H . . 4.990 4.192 3.869 4.591 . 0 0 "[ . 1 . 2]" 1
2984 2 58 VAL QG 2 61 PHE H . . 5.080 4.484 4.339 4.709 . 0 0 "[ . 1 . 2]" 1
2985 2 58 VAL HA 2 61 PHE H . . 3.950 3.661 3.545 3.789 . 0 0 "[ . 1 . 2]" 1
2986 2 58 VAL HA 2 61 PHE HB3 . . 4.800 3.707 3.493 3.941 . 0 0 "[ . 1 . 2]" 1
2987 2 58 VAL HA 2 61 PHE HB2 . . 4.800 3.385 3.262 3.603 . 0 0 "[ . 1 . 2]" 1
2988 2 58 VAL HA 2 61 PHE QD . . 4.950 4.637 4.467 4.845 . 0 0 "[ . 1 . 2]" 1
2989 2 58 VAL QG 2 62 LEU H . . 4.800 3.895 3.653 4.667 . 0 0 "[ . 1 . 2]" 1
2990 2 58 VAL HA 2 62 LEU H . . 4.290 3.925 3.583 4.137 . 0 0 "[ . 1 . 2]" 1
2991 2 58 VAL QG 2 62 LEU HB2 . . 5.200 3.523 2.847 4.424 . 0 0 "[ . 1 . 2]" 1
2992 2 58 VAL HA 2 62 LEU QD . . 5.350 4.362 3.752 4.828 . 0 0 "[ . 1 . 2]" 1
2993 2 58 VAL QG 2 62 LEU HB3 . . 5.200 4.462 3.902 5.500 0.300 16 0 "[ . 1 . 2]" 1
2994 2 59 GLU HA 2 59 GLU QB . . 2.750 2.332 2.170 2.396 . 0 0 "[ . 1 . 2]" 1
2995 2 59 GLU H 2 59 GLU HG2 . . 3.500 2.730 1.923 3.545 0.045 5 0 "[ . 1 . 2]" 1
2996 2 59 GLU H 2 59 GLU QB . . 3.000 2.537 2.419 2.689 . 0 0 "[ . 1 . 2]" 1
2997 2 59 GLU HA 2 59 GLU HG2 . . 3.800 2.671 2.401 3.682 . 0 0 "[ . 1 . 2]" 1
2998 2 59 GLU H 2 59 GLU HG3 . . 3.500 2.499 2.023 3.339 . 0 0 "[ . 1 . 2]" 1
2999 2 59 GLU HA 2 59 GLU HG3 . . 3.800 3.465 2.651 3.798 . 0 0 "[ . 1 . 2]" 1
3000 2 59 GLU QB 2 60 TRP HA . . 4.180 3.871 3.814 4.084 . 0 0 "[ . 1 . 2]" 1
3001 2 59 GLU H 2 60 TRP HB2 . . 5.300 5.180 5.026 5.337 0.037 14 0 "[ . 1 . 2]" 1
3002 2 59 GLU HG3 2 60 TRP H . . 5.200 4.194 1.933 4.793 . 0 0 "[ . 1 . 2]" 1
3003 2 59 GLU H 2 60 TRP H . . 3.340 2.693 2.573 2.836 . 0 0 "[ . 1 . 2]" 1
3004 2 59 GLU QB 2 60 TRP H . . 3.110 2.613 2.438 3.253 0.143 14 0 "[ . 1 . 2]" 1
3005 2 59 GLU HG2 2 60 TRP H . . 5.200 4.596 3.047 4.985 . 0 0 "[ . 1 . 2]" 1
3006 2 59 GLU H 2 60 TRP HB3 . . 5.300 4.824 4.703 4.941 . 0 0 "[ . 1 . 2]" 1
3007 2 59 GLU H 2 61 PHE H . . 4.740 4.436 4.331 4.550 . 0 0 "[ . 1 . 2]" 1
3008 2 59 GLU HA 2 61 PHE H . . 5.060 4.762 4.716 4.802 . 0 0 "[ . 1 . 2]" 1
3009 2 59 GLU HA 2 62 LEU HB2 . . 3.470 2.766 2.274 3.566 0.096 4 0 "[ . 1 . 2]" 1
3010 2 59 GLU H 2 62 LEU H . . 4.850 4.681 4.586 4.771 . 0 0 "[ . 1 . 2]" 1
3011 2 59 GLU H 2 62 LEU QD . . 5.030 4.358 3.569 5.021 . 0 0 "[ . 1 . 2]" 1
3012 2 59 GLU HG3 2 62 LEU QD . . 5.000 4.962 4.348 5.581 0.581 2 3 "[*+ -. 1 . 2]" 1
3013 2 59 GLU QB 2 62 LEU H . . 5.370 4.927 4.745 5.179 . 0 0 "[ . 1 . 2]" 1
3014 2 59 GLU HA 2 62 LEU H . . 4.050 3.603 3.436 3.821 . 0 0 "[ . 1 . 2]" 1
3015 2 59 GLU HA 2 62 LEU HB3 . . 3.720 3.320 2.695 3.777 0.057 16 0 "[ . 1 . 2]" 1
3016 2 59 GLU HG2 2 62 LEU QD . . 5.000 3.977 3.106 5.382 0.382 5 0 "[ . 1 . 2]" 1
3017 2 59 GLU QB 2 62 LEU HB3 . . 5.450 4.910 4.437 5.346 . 0 0 "[ . 1 . 2]" 1
3018 2 59 GLU HA 2 62 LEU QD . . 3.560 2.724 2.102 3.278 . 0 0 "[ . 1 . 2]" 1
3019 2 59 GLU HA 2 63 GLU H . . 4.200 3.872 3.659 4.026 . 0 0 "[ . 1 . 2]" 1
3020 2 60 TRP H 2 60 TRP HB3 . . 3.090 2.437 2.400 2.466 . 0 0 "[ . 1 . 2]" 1
3021 2 60 TRP H 2 60 TRP HB2 . . 2.970 2.631 2.603 2.682 . 0 0 "[ . 1 . 2]" 1
3022 2 60 TRP H 2 60 TRP HE3 . . 4.930 4.506 4.414 4.590 . 0 0 "[ . 1 . 2]" 1
3023 2 60 TRP HB3 2 60 TRP HE3 . . 4.140 2.562 2.511 2.577 . 0 0 "[ . 1 . 2]" 1
3024 2 60 TRP HA 2 60 TRP HE3 . . 4.980 4.582 4.542 4.668 . 0 0 "[ . 1 . 2]" 1
3025 2 60 TRP HA 2 60 TRP HE1 . . 5.140 5.152 5.079 5.182 0.042 9 0 "[ . 1 . 2]" 1
3026 2 60 TRP HE3 2 61 PHE HB3 . . 4.630 4.081 3.995 4.362 . 0 0 "[ . 1 . 2]" 1
3027 2 60 TRP HE3 2 61 PHE QD . . 4.220 3.434 3.316 3.608 . 0 0 "[ . 1 . 2]" 1
3028 2 60 TRP HH2 2 61 PHE QD . . 5.500 5.026 4.838 5.271 . 0 0 "[ . 1 . 2]" 1
3029 2 60 TRP HE3 2 61 PHE QE . . 4.800 4.846 4.820 4.882 0.082 6 0 "[ . 1 . 2]" 1
3030 2 60 TRP HZ3 2 61 PHE QE . . 4.480 3.505 3.415 3.720 . 0 0 "[ . 1 . 2]" 1
3031 2 60 TRP HB3 2 61 PHE HA . . 4.290 4.350 4.307 4.380 0.090 9 0 "[ . 1 . 2]" 1
3032 2 60 TRP HZ3 2 61 PHE HA . . 4.790 3.370 3.232 3.695 . 0 0 "[ . 1 . 2]" 1
3033 2 60 TRP HZ3 2 61 PHE HB2 . . 5.030 3.860 3.698 4.234 . 0 0 "[ . 1 . 2]" 1
3034 2 60 TRP HE3 2 61 PHE H . . 3.530 2.431 2.348 2.662 . 0 0 "[ . 1 . 2]" 1
3035 2 60 TRP HB3 2 61 PHE H . . 3.800 2.390 2.366 2.418 . 0 0 "[ . 1 . 2]" 1
3036 2 60 TRP HZ3 2 61 PHE QD . . 4.160 3.252 3.098 3.603 . 0 0 "[ . 1 . 2]" 1
3037 2 60 TRP H 2 61 PHE HB2 . . 5.500 4.679 4.621 4.770 . 0 0 "[ . 1 . 2]" 1
3038 2 60 TRP HE3 2 61 PHE HA . . 3.990 2.696 2.568 2.914 . 0 0 "[ . 1 . 2]" 1
3039 2 60 TRP H 2 61 PHE H . . 3.430 2.771 2.720 2.836 . 0 0 "[ . 1 . 2]" 1
3040 2 60 TRP H 2 61 PHE HB3 . . 5.500 5.592 5.538 5.645 0.145 14 0 "[ . 1 . 2]" 1
3041 2 60 TRP HB2 2 61 PHE H . . 3.800 3.808 3.792 3.819 0.019 13 0 "[ . 1 . 2]" 1
3042 2 60 TRP HZ3 2 61 PHE HB3 . . 5.500 4.905 4.744 5.300 . 0 0 "[ . 1 . 2]" 1
3043 2 60 TRP HE3 2 61 PHE HB2 . . 3.750 2.613 2.500 2.896 . 0 0 "[ . 1 . 2]" 1
3044 2 60 TRP H 2 62 LEU H . . 4.710 3.985 3.827 4.217 . 0 0 "[ . 1 . 2]" 1
3045 2 60 TRP HA 2 62 LEU H . . 4.860 4.442 4.201 4.826 . 0 0 "[ . 1 . 2]" 1
3046 2 60 TRP HE3 2 62 LEU H . . 5.500 4.783 4.686 5.103 . 0 0 "[ . 1 . 2]" 1
3047 2 60 TRP HA 2 63 GLU QB . . 3.430 3.269 3.065 3.439 0.009 14 0 "[ . 1 . 2]" 1
3048 2 60 TRP HA 2 63 GLU H . . 4.160 3.866 3.667 4.023 . 0 0 "[ . 1 . 2]" 1
3049 2 60 TRP H 2 63 GLU H . . 5.240 4.861 4.702 4.960 . 0 0 "[ . 1 . 2]" 1
3050 2 60 TRP HZ2 2 64 MET ME . . 3.160 2.377 2.027 2.822 . 0 0 "[ . 1 . 2]" 1
3051 2 60 TRP HE1 2 64 MET ME . . 4.430 4.432 4.187 4.490 0.060 9 0 "[ . 1 . 2]" 1
3052 2 60 TRP HH2 2 64 MET ME . . 3.080 2.067 1.945 2.353 . 0 0 "[ . 1 . 2]" 1
3053 2 60 TRP HZ2 2 64 MET QB . . 4.800 4.418 4.105 4.570 . 0 0 "[ . 1 . 2]" 1
3054 2 60 TRP HA 2 64 MET H . . 4.840 4.142 3.912 4.240 . 0 0 "[ . 1 . 2]" 1
3055 2 60 TRP HZ2 2 64 MET QG . . 4.730 4.261 3.683 4.630 . 0 0 "[ . 1 . 2]" 1
3056 2 61 PHE HA 2 61 PHE QD . . 3.140 2.265 2.145 2.387 . 0 0 "[ . 1 . 2]" 1
3057 2 61 PHE H 2 61 PHE HB3 . . 3.180 3.108 3.088 3.135 . 0 0 "[ . 1 . 2]" 1
3058 2 61 PHE H 2 61 PHE QD . . 4.180 3.972 3.952 3.990 . 0 0 "[ . 1 . 2]" 1
3059 2 61 PHE HA 2 61 PHE QE . . 4.240 4.183 4.132 4.232 . 0 0 "[ . 1 . 2]" 1
3060 2 61 PHE H 2 61 PHE HB2 . . 2.970 2.105 2.093 2.115 . 0 0 "[ . 1 . 2]" 1
3061 2 61 PHE HA 2 62 LEU HA . . 5.090 4.817 4.774 4.855 . 0 0 "[ . 1 . 2]" 1
3062 2 61 PHE QD 2 62 LEU HA . . 5.360 4.640 4.487 4.718 . 0 0 "[ . 1 . 2]" 1
3063 2 61 PHE QD 2 62 LEU H . . 4.490 4.423 4.273 4.497 0.007 20 0 "[ . 1 . 2]" 1
3064 2 61 PHE HB2 2 62 LEU H . . 3.950 3.418 3.221 3.565 . 0 0 "[ . 1 . 2]" 1
3065 2 61 PHE H 2 62 LEU H . . 3.350 2.649 2.582 2.740 . 0 0 "[ . 1 . 2]" 1
3066 2 61 PHE HB3 2 62 LEU H . . 3.710 2.863 2.538 3.076 . 0 0 "[ . 1 . 2]" 1
3067 2 61 PHE H 2 62 LEU HA . . 5.500 5.244 5.182 5.322 . 0 0 "[ . 1 . 2]" 1
3068 2 61 PHE H 2 63 GLU H . . 4.620 4.515 4.361 4.625 0.005 15 0 "[ . 1 . 2]" 1
3069 2 61 PHE HB3 2 63 GLU H . . 5.500 5.408 5.196 5.571 0.071 15 0 "[ . 1 . 2]" 1
3070 2 61 PHE HA 2 63 GLU H . . 4.840 4.745 4.592 4.828 . 0 0 "[ . 1 . 2]" 1
3071 2 61 PHE QD 2 64 MET QG . . 5.200 3.966 2.248 4.406 . 0 0 "[ . 1 . 2]" 1
3072 2 61 PHE QE 2 64 MET QG . . 5.500 4.308 3.552 4.783 . 0 0 "[ . 1 . 2]" 1
3073 2 61 PHE QD 2 64 MET ME . . 4.500 4.458 3.771 4.588 0.088 5 0 "[ . 1 . 2]" 1
3074 2 61 PHE QE 2 64 MET ME . . 4.240 3.968 3.234 4.198 . 0 0 "[ . 1 . 2]" 1
3075 2 61 PHE QE 2 64 MET QB . . 5.150 4.310 4.143 5.216 0.066 9 0 "[ . 1 . 2]" 1
3076 2 61 PHE QD 2 64 MET QB . . 4.650 2.907 2.649 4.226 . 0 0 "[ . 1 . 2]" 1
3077 2 61 PHE HA 2 64 MET QB . . 3.180 2.334 2.129 3.250 0.070 9 0 "[ . 1 . 2]" 1
3078 2 61 PHE QD 2 64 MET H . . 4.650 4.564 4.410 4.728 0.078 9 0 "[ . 1 . 2]" 1
3079 2 61 PHE H 2 64 MET H . . 5.190 4.677 4.512 4.813 . 0 0 "[ . 1 . 2]" 1
3080 2 61 PHE QE 2 65 LEU QD . . 4.200 2.332 2.098 2.745 . 0 0 "[ . 1 . 2]" 1
3081 2 61 PHE QE 2 65 LEU HG . . 4.590 3.133 2.405 4.521 . 0 0 "[ . 1 . 2]" 1
3082 2 61 PHE QD 2 65 LEU QD . . 5.000 2.321 1.864 2.657 . 0 0 "[ . 1 . 2]" 1
3083 2 61 PHE QD 2 65 LEU H . . 4.560 3.341 3.079 3.730 . 0 0 "[ . 1 . 2]" 1
3084 2 61 PHE QE 2 65 LEU H . . 5.490 4.998 4.697 5.494 0.004 9 0 "[ . 1 . 2]" 1
3085 2 62 LEU HB3 2 62 LEU QD . . 3.200 2.122 1.994 2.237 . 0 0 "[ . 1 . 2]" 1
3086 2 62 LEU H 2 62 LEU QD . . 4.200 3.407 3.202 3.570 . 0 0 "[ . 1 . 2]" 1
3087 2 62 LEU H 2 62 LEU HG . . 4.500 3.694 2.712 4.541 0.041 3 0 "[ . 1 . 2]" 1
3088 2 62 LEU HA 2 62 LEU QD . . 3.350 2.181 1.950 2.671 . 0 0 "[ . 1 . 2]" 1
3089 2 62 LEU H 2 62 LEU HB2 . . 3.500 2.214 2.074 2.316 . 0 0 "[ . 1 . 2]" 1
3090 2 62 LEU H 2 62 LEU HB3 . . 3.800 3.160 2.713 3.536 . 0 0 "[ . 1 . 2]" 1
3091 2 62 LEU HB2 2 62 LEU QD . . 3.000 2.143 1.933 2.338 . 0 0 "[ . 1 . 2]" 1
3092 2 62 LEU HA 2 62 LEU HG . . 3.710 2.717 2.257 2.966 . 0 0 "[ . 1 . 2]" 1
3093 2 62 LEU QD 2 63 GLU H . . 4.630 3.844 3.672 3.980 . 0 0 "[ . 1 . 2]" 1
3094 2 62 LEU HG 2 63 GLU H . . 4.940 4.383 3.873 4.834 . 0 0 "[ . 1 . 2]" 1
3095 2 62 LEU HB2 2 63 GLU HA . . 5.500 5.081 4.550 5.548 0.048 4 0 "[ . 1 . 2]" 1
3096 2 62 LEU QD 2 63 GLU HG3 . . 5.140 4.561 3.751 6.012 0.872 9 2 "[ . +1 . - 2]" 1
3097 2 62 LEU QD 2 63 GLU HG2 . . 5.050 4.726 3.947 5.181 0.131 14 0 "[ . 1 . 2]" 1
3098 2 62 LEU HB3 2 63 GLU H . . 3.800 2.632 2.231 3.081 . 0 0 "[ . 1 . 2]" 1
3099 2 62 LEU HB2 2 63 GLU H . . 3.800 3.002 2.415 3.603 . 0 0 "[ . 1 . 2]" 1
3100 2 62 LEU H 2 63 GLU HA . . 5.500 5.394 5.267 5.483 . 0 0 "[ . 1 . 2]" 1
3101 2 62 LEU HB3 2 63 GLU HA . . 5.500 3.979 3.805 4.101 . 0 0 "[ . 1 . 2]" 1
3102 2 62 LEU H 2 63 GLU H . . 3.390 2.834 2.655 2.950 . 0 0 "[ . 1 . 2]" 1
3103 2 62 LEU HA 2 64 MET H . . 4.600 4.357 4.228 4.597 . 0 0 "[ . 1 . 2]" 1
3104 2 62 LEU H 2 64 MET H . . 4.590 3.899 3.750 4.054 . 0 0 "[ . 1 . 2]" 1
3105 2 62 LEU HB2 2 64 MET H . . 5.500 5.078 4.654 5.552 0.052 18 0 "[ . 1 . 2]" 1
3106 2 62 LEU HB3 2 64 MET H . . 5.500 4.870 4.530 5.150 . 0 0 "[ . 1 . 2]" 1
3107 2 62 LEU H 2 65 LEU H . . 5.060 4.756 4.548 4.823 . 0 0 "[ . 1 . 2]" 1
3108 2 62 LEU QD 2 65 LEU H . . 5.500 5.142 4.847 5.416 . 0 0 "[ . 1 . 2]" 1
3109 2 62 LEU QD 2 65 LEU QD . . 5.350 3.986 3.195 4.828 . 0 0 "[ . 1 . 2]" 1
3110 2 62 LEU HA 2 65 LEU HG . . 5.210 4.727 4.169 5.183 . 0 0 "[ . 1 . 2]" 1
3111 2 62 LEU HA 2 65 LEU HB3 . . 5.500 4.890 4.255 5.168 . 0 0 "[ . 1 . 2]" 1
3112 2 62 LEU HA 2 65 LEU HB2 . . 4.800 3.268 2.758 3.457 . 0 0 "[ . 1 . 2]" 1
3113 2 62 LEU HA 2 65 LEU QD . . 4.500 3.450 2.882 4.090 . 0 0 "[ . 1 . 2]" 1
3114 2 62 LEU HA 2 65 LEU H . . 3.890 3.805 3.587 3.915 0.025 14 0 "[ . 1 . 2]" 1
3115 2 62 LEU QD 2 66 LYS QE . . 4.200 2.783 1.944 3.785 . 0 0 "[ . 1 . 2]" 1
3116 2 62 LEU QD 2 66 LYS QD . . 3.800 2.801 2.226 3.801 0.001 9 0 "[ . 1 . 2]" 1
3117 2 62 LEU HA 2 66 LYS H . . 4.390 4.068 3.890 4.169 . 0 0 "[ . 1 . 2]" 1
3118 2 62 LEU QD 2 66 LYS H . . 4.860 4.754 4.419 4.875 0.015 9 0 "[ . 1 . 2]" 1
3119 2 62 LEU QD 2 74 VAL QG . . 3.140 2.410 1.942 2.950 . 0 0 "[ . 1 . 2]" 1
3120 2 63 GLU HA 2 63 GLU QB . . 2.740 2.458 2.390 2.539 . 0 0 "[ . 1 . 2]" 1
3121 2 63 GLU H 2 63 GLU HG3 . . 4.500 2.936 2.372 4.474 . 0 0 "[ . 1 . 2]" 1
3122 2 63 GLU HA 2 63 GLU HG2 . . 3.540 2.286 2.159 2.682 . 0 0 "[ . 1 . 2]" 1
3123 2 63 GLU H 2 63 GLU QB . . 3.000 2.240 2.056 2.397 . 0 0 "[ . 1 . 2]" 1
3124 2 63 GLU H 2 63 GLU HG2 . . 4.500 3.524 3.222 3.981 . 0 0 "[ . 1 . 2]" 1
3125 2 63 GLU HA 2 63 GLU HG3 . . 3.490 3.215 3.063 3.601 0.111 18 0 "[ . 1 . 2]" 1
3126 2 63 GLU HG3 2 64 MET H . . 5.050 4.765 4.452 5.142 0.092 9 0 "[ . 1 . 2]" 1
3127 2 63 GLU H 2 64 MET QB . . 4.590 4.363 4.303 4.500 . 0 0 "[ . 1 . 2]" 1
3128 2 63 GLU H 2 64 MET H . . 3.240 2.600 2.543 2.674 . 0 0 "[ . 1 . 2]" 1
3129 2 63 GLU HG2 2 64 MET H . . 4.970 5.000 4.862 5.090 0.120 18 0 "[ . 1 . 2]" 1
3130 2 63 GLU H 2 65 LEU H . . 4.700 4.436 3.930 4.533 . 0 0 "[ . 1 . 2]" 1
3131 2 63 GLU HA 2 65 LEU H . . 4.760 4.640 4.176 4.762 0.002 12 0 "[ . 1 . 2]" 1
3132 2 63 GLU H 2 66 LYS QE . . 5.500 5.145 3.356 5.540 0.040 12 0 "[ . 1 . 2]" 1
3133 2 63 GLU HA 2 66 LYS HG2 . . 5.160 4.989 4.822 5.212 0.052 9 0 "[ . 1 . 2]" 1
3134 2 63 GLU HA 2 66 LYS QD . . 4.000 2.856 2.411 4.026 0.026 9 0 "[ . 1 . 2]" 1
3135 2 63 GLU HA 2 66 LYS HG3 . . 4.830 4.100 3.550 4.498 . 0 0 "[ . 1 . 2]" 1
3136 2 63 GLU HA 2 66 LYS QB . . 3.120 2.437 2.184 2.914 . 0 0 "[ . 1 . 2]" 1
3137 2 63 GLU HA 2 66 LYS QE . . 4.780 3.980 1.978 4.788 0.008 11 0 "[ . 1 . 2]" 1
3138 2 63 GLU HA 2 66 LYS H . . 3.920 3.542 3.403 3.689 . 0 0 "[ . 1 . 2]" 1
3139 2 63 GLU HA 2 67 ALA H . . 4.180 3.837 3.615 4.035 . 0 0 "[ . 1 . 2]" 1
3140 2 64 MET H 2 64 MET QG . . 4.500 3.910 2.702 3.998 . 0 0 "[ . 1 . 2]" 1
3141 2 64 MET H 2 64 MET QB . . 3.010 2.248 2.240 2.253 . 0 0 "[ . 1 . 2]" 1
3142 2 64 MET QG 2 65 LEU QD . . 4.800 3.719 2.957 4.208 . 0 0 "[ . 1 . 2]" 1
3143 2 64 MET QB 2 65 LEU H . . 3.470 2.417 2.300 3.483 0.013 9 0 "[ . 1 . 2]" 1
3144 2 64 MET QG 2 65 LEU H . . 4.800 3.435 2.041 3.716 . 0 0 "[ . 1 . 2]" 1
3145 2 64 MET HA 2 65 LEU H . . 3.570 3.558 3.492 3.566 . 0 0 "[ . 1 . 2]" 1
3146 2 64 MET H 2 65 LEU H . . 3.280 2.734 2.568 2.803 . 0 0 "[ . 1 . 2]" 1
3147 2 64 MET H 2 66 LYS H . . 4.540 4.016 3.814 4.341 . 0 0 "[ . 1 . 2]" 1
3148 2 64 MET HA 2 66 LYS H . . 4.870 4.569 4.394 4.863 . 0 0 "[ . 1 . 2]" 1
3149 2 64 MET HA 2 67 ALA MB . . 3.080 2.706 2.323 3.044 . 0 0 "[ . 1 . 2]" 1
3150 2 64 MET H 2 67 ALA H . . 4.820 4.575 4.489 4.793 . 0 0 "[ . 1 . 2]" 1
3151 2 64 MET HA 2 68 LYS QD . . 5.500 5.352 4.762 5.517 0.017 13 0 "[ . 1 . 2]" 1
3152 2 65 LEU HA 2 65 LEU QD . . 3.800 2.127 1.996 2.392 . 0 0 "[ . 1 . 2]" 1
3153 2 65 LEU H 2 65 LEU QD . . 4.200 2.982 2.118 3.407 . 0 0 "[ . 1 . 2]" 1
3154 2 65 LEU H 2 65 LEU HG . . 3.850 2.834 2.361 3.890 0.040 6 0 "[ . 1 . 2]" 1
3155 2 65 LEU HA 2 65 LEU HG . . 3.850 2.995 2.697 3.679 . 0 0 "[ . 1 . 2]" 1
3156 2 65 LEU H 2 66 LYS HG3 . . 4.800 4.627 4.264 4.809 0.009 17 0 "[ . 1 . 2]" 1
3157 2 65 LEU HB3 2 66 LYS H . . 4.800 3.457 2.961 3.717 . 0 0 "[ . 1 . 2]" 1
3158 2 65 LEU QD 2 66 LYS H . . 4.800 4.053 3.846 4.165 . 0 0 "[ . 1 . 2]" 1
3159 2 65 LEU HB2 2 66 LYS H . . 4.800 2.710 2.593 2.827 . 0 0 "[ . 1 . 2]" 1
3160 2 65 LEU H 2 66 LYS H . . 3.300 2.616 2.490 2.773 . 0 0 "[ . 1 . 2]" 1
3161 2 65 LEU HA 2 66 LYS HA . . 4.840 4.775 4.755 4.800 . 0 0 "[ . 1 . 2]" 1
3162 2 65 LEU H 2 66 LYS HA . . 5.320 5.232 5.124 5.352 0.032 19 0 "[ . 1 . 2]" 1
3163 2 65 LEU HG 2 66 LYS H . . 5.270 4.629 4.392 4.952 . 0 0 "[ . 1 . 2]" 1
3164 2 65 LEU QD 2 68 LYS HG2 . . 4.990 4.743 4.440 4.963 . 0 0 "[ . 1 . 2]" 1
3165 2 65 LEU QD 2 68 LYS HG3 . . 4.910 4.814 4.629 4.881 . 0 0 "[ . 1 . 2]" 1
3166 2 65 LEU HA 2 68 LYS HB3 . . 5.500 5.396 5.032 5.521 0.021 7 0 "[ . 1 . 2]" 1
3167 2 65 LEU QD 2 68 LYS H . . 5.360 4.930 4.588 5.092 . 0 0 "[ . 1 . 2]" 1
3168 2 65 LEU HA 2 68 LYS HG2 . . 4.270 3.791 3.368 4.298 0.028 19 0 "[ . 1 . 2]" 1
3169 2 65 LEU HA 2 68 LYS H . . 4.120 3.668 3.517 3.783 . 0 0 "[ . 1 . 2]" 1
3170 2 65 LEU QD 2 68 LYS HB2 . . 4.680 4.293 3.955 4.541 . 0 0 "[ . 1 . 2]" 1
3171 2 65 LEU HA 2 68 LYS HB2 . . 5.350 3.727 3.320 3.959 . 0 0 "[ . 1 . 2]" 1
3172 2 65 LEU QD 2 69 GLY H . . 5.500 5.100 4.848 5.269 . 0 0 "[ . 1 . 2]" 1
3173 2 65 LEU HA 2 69 GLY H . . 5.250 4.371 4.196 4.613 . 0 0 "[ . 1 . 2]" 1
3174 2 65 LEU HA 2 70 ILE H . . 3.960 3.814 3.623 3.971 0.011 9 0 "[ . 1 . 2]" 1
3175 2 65 LEU HA 2 70 ILE MG . . 4.870 4.685 4.564 4.806 . 0 0 "[ . 1 . 2]" 1
3176 2 65 LEU QD 2 70 ILE MG . . 3.200 2.606 2.380 2.814 . 0 0 "[ . 1 . 2]" 1
3177 2 65 LEU QD 2 70 ILE H . . 4.260 3.839 3.375 4.130 . 0 0 "[ . 1 . 2]" 1
3178 2 65 LEU HA 2 70 ILE HB . . 3.860 3.441 3.208 3.609 . 0 0 "[ . 1 . 2]" 1
3179 2 65 LEU QD 2 70 ILE HG13 . . 4.520 3.315 2.884 3.519 . 0 0 "[ . 1 . 2]" 1
3180 2 65 LEU QD 2 70 ILE HB . . 3.410 2.152 1.856 2.465 . 0 0 "[ . 1 . 2]" 1
3181 2 65 LEU QD 2 70 ILE MD . . 2.930 2.208 1.884 2.595 . 0 0 "[ . 1 . 2]" 1
3182 2 65 LEU HB2 2 70 ILE H . . 5.340 5.074 4.818 5.414 0.074 16 0 "[ . 1 . 2]" 1
3183 2 65 LEU HA 2 70 ILE MD . . 3.810 3.323 3.006 3.530 . 0 0 "[ . 1 . 2]" 1
3184 2 65 LEU QD 2 70 ILE HG12 . . 4.470 4.144 3.838 4.409 . 0 0 "[ . 1 . 2]" 1
3185 2 65 LEU HA 2 70 ILE HG12 . . 5.190 5.055 4.823 5.318 0.128 9 0 "[ . 1 . 2]" 1
3186 2 65 LEU HB3 2 70 ILE H . . 4.380 3.662 3.394 3.941 . 0 0 "[ . 1 . 2]" 1
3187 2 65 LEU HB3 2 72 PHE QD . . 5.000 2.160 1.971 2.830 . 0 0 "[ . 1 . 2]" 1
3188 2 65 LEU HB2 2 72 PHE QD . . 5.000 3.192 2.855 4.030 . 0 0 "[ . 1 . 2]" 1
3189 2 65 LEU HA 2 72 PHE QD . . 5.000 4.590 4.417 5.021 0.021 6 0 "[ . 1 . 2]" 1
3190 2 65 LEU QD 2 72 PHE HB3 . . 4.950 2.152 1.884 2.414 . 0 0 "[ . 1 . 2]" 1
3191 2 65 LEU QD 2 72 PHE HB2 . . 4.710 2.730 2.508 2.990 . 0 0 "[ . 1 . 2]" 1
3192 2 65 LEU HB2 2 72 PHE HZ . . 4.800 3.835 3.491 4.195 . 0 0 "[ . 1 . 2]" 1
3193 2 65 LEU QD 2 72 PHE QD . . 3.690 2.451 2.248 2.712 . 0 0 "[ . 1 . 2]" 1
3194 2 65 LEU HB3 2 72 PHE HZ . . 4.800 4.613 3.965 4.824 0.024 20 0 "[ . 1 . 2]" 1
3195 2 65 LEU QD 2 72 PHE HZ . . 4.670 4.183 3.764 4.684 0.014 3 0 "[ . 1 . 2]" 1
3196 2 66 LYS HA 2 66 LYS QE . . 5.040 4.602 4.353 4.955 . 0 0 "[ . 1 . 2]" 1
3197 2 66 LYS QE 2 66 LYS HG2 . . 3.160 2.570 1.986 3.250 0.090 1 0 "[ . 1 . 2]" 1
3198 2 66 LYS H 2 66 LYS QE . . 5.500 4.614 3.252 5.254 . 0 0 "[ . 1 . 2]" 1
3199 2 66 LYS H 2 66 LYS HG2 . . 3.990 3.768 3.319 3.999 0.009 15 0 "[ . 1 . 2]" 1
3200 2 66 LYS H 2 66 LYS HG3 . . 3.080 2.480 1.959 2.751 . 0 0 "[ . 1 . 2]" 1
3201 2 66 LYS HA 2 66 LYS QD . . 4.110 4.055 3.789 4.190 0.080 3 0 "[ . 1 . 2]" 1
3202 2 66 LYS H 2 66 LYS QD . . 4.650 3.618 3.066 4.483 . 0 0 "[ . 1 . 2]" 1
3203 2 66 LYS QE 2 66 LYS HG3 . . 3.470 2.888 2.042 3.494 0.024 3 0 "[ . 1 . 2]" 1
3204 2 66 LYS QD 2 66 LYS HG2 . . 2.610 2.383 2.148 2.519 . 0 0 "[ . 1 . 2]" 1
3205 2 66 LYS HA 2 66 LYS HG2 . . 2.910 2.650 2.265 2.920 0.010 3 0 "[ . 1 . 2]" 1
3206 2 66 LYS H 2 66 LYS QB . . 3.030 2.336 2.219 2.549 . 0 0 "[ . 1 . 2]" 1
3207 2 66 LYS HA 2 66 LYS HG3 . . 3.060 2.792 2.564 3.099 0.039 6 0 "[ . 1 . 2]" 1
3208 2 66 LYS QB 2 66 LYS QE . . 3.720 2.940 2.114 3.671 . 0 0 "[ . 1 . 2]" 1
3209 2 66 LYS QB 2 66 LYS QD . . 2.810 2.130 1.995 2.259 . 0 0 "[ . 1 . 2]" 1
3210 2 66 LYS H 2 67 ALA MB . . 4.380 4.211 4.113 4.326 . 0 0 "[ . 1 . 2]" 1
3211 2 66 LYS H 2 67 ALA H . . 3.350 2.599 2.558 2.666 . 0 0 "[ . 1 . 2]" 1
3212 2 66 LYS QB 2 67 ALA HA . . 4.110 3.887 3.869 3.897 . 0 0 "[ . 1 . 2]" 1
3213 2 66 LYS QB 2 67 ALA H . . 3.060 2.724 2.649 2.757 . 0 0 "[ . 1 . 2]" 1
3214 2 66 LYS H 2 68 LYS H . . 4.860 4.305 4.132 4.536 . 0 0 "[ . 1 . 2]" 1
3215 2 66 LYS HA 2 69 GLY HA2 . . 4.960 3.119 3.016 3.276 . 0 0 "[ . 1 . 2]" 1
3216 2 66 LYS QB 2 69 GLY H . . 4.890 4.517 4.389 4.602 . 0 0 "[ . 1 . 2]" 1
3217 2 66 LYS H 2 69 GLY H . . 4.980 4.562 4.504 4.753 . 0 0 "[ . 1 . 2]" 1
3218 2 66 LYS HA 2 69 GLY H . . 3.750 3.068 2.960 3.341 . 0 0 "[ . 1 . 2]" 1
3219 2 66 LYS HA 2 70 ILE H . . 4.200 3.657 3.492 3.823 . 0 0 "[ . 1 . 2]" 1
3220 2 66 LYS HG2 2 72 PHE HZ . . 3.750 3.616 3.147 3.789 0.039 19 0 "[ . 1 . 2]" 1
3221 2 66 LYS H 2 72 PHE HZ . . 4.630 4.371 4.132 4.660 0.030 9 0 "[ . 1 . 2]" 1
3222 2 66 LYS QD 2 72 PHE HZ . . 3.920 3.199 2.454 3.925 0.005 19 0 "[ . 1 . 2]" 1
3223 2 66 LYS HG3 2 72 PHE HZ . . 3.730 2.620 2.000 3.220 . 0 0 "[ . 1 . 2]" 1
3224 2 67 ALA H 2 67 ALA MB . . 2.530 2.143 2.042 2.228 . 0 0 "[ . 1 . 2]" 1
3225 2 67 ALA H 2 68 LYS H . . 3.360 2.758 2.631 2.863 . 0 0 "[ . 1 . 2]" 1
3226 2 67 ALA HA 2 68 LYS HG2 . . 5.360 5.140 5.035 5.336 . 0 0 "[ . 1 . 2]" 1
3227 2 67 ALA MB 2 68 LYS H . . 3.080 2.634 2.353 2.801 . 0 0 "[ . 1 . 2]" 1
3228 2 67 ALA H 2 68 LYS HA . . 5.410 5.360 5.270 5.431 0.021 9 0 "[ . 1 . 2]" 1
3229 2 67 ALA MB 2 68 LYS HG2 . . 3.550 3.027 2.833 3.200 . 0 0 "[ . 1 . 2]" 1
3230 2 67 ALA H 2 69 GLY H . . 4.050 3.821 3.666 3.915 . 0 0 "[ . 1 . 2]" 1
3231 2 67 ALA HA 2 69 GLY H . . 4.530 4.304 3.863 4.510 . 0 0 "[ . 1 . 2]" 1
3232 2 68 LYS HB3 2 68 LYS QE . . 4.300 3.226 2.184 4.092 . 0 0 "[ . 1 . 2]" 1
3233 2 68 LYS HB2 2 68 LYS QE . . 5.050 4.013 3.535 4.566 . 0 0 "[ . 1 . 2]" 1
3234 2 68 LYS H 2 68 LYS QE . . 5.170 4.573 3.921 4.728 . 0 0 "[ . 1 . 2]" 1
3235 2 68 LYS QE 2 68 LYS HG3 . . 3.550 2.221 2.069 2.572 . 0 0 "[ . 1 . 2]" 1
3236 2 68 LYS H 2 68 LYS QD . . 3.790 3.169 2.802 3.487 . 0 0 "[ . 1 . 2]" 1
3237 2 68 LYS H 2 68 LYS HB2 . . 3.400 2.643 2.476 2.786 . 0 0 "[ . 1 . 2]" 1
3238 2 68 LYS H 2 68 LYS HG2 . . 3.580 2.206 2.057 2.492 . 0 0 "[ . 1 . 2]" 1
3239 2 68 LYS HA 2 68 LYS HG3 . . 4.040 3.815 3.734 3.865 . 0 0 "[ . 1 . 2]" 1
3240 2 68 LYS QE 2 68 LYS HG2 . . 3.570 2.933 2.344 3.347 . 0 0 "[ . 1 . 2]" 1
3241 2 68 LYS HA 2 68 LYS QD . . 2.940 2.135 1.960 2.337 . 0 0 "[ . 1 . 2]" 1
3242 2 68 LYS H 2 68 LYS HB3 . . 3.640 3.650 3.610 3.675 0.035 4 0 "[ . 1 . 2]" 1
3243 2 68 LYS HA 2 68 LYS QE . . 5.010 3.903 3.053 4.291 . 0 0 "[ . 1 . 2]" 1
3244 2 68 LYS HB2 2 68 LYS QD . . 3.760 3.345 3.303 3.471 . 0 0 "[ . 1 . 2]" 1
3245 2 68 LYS HB3 2 68 LYS QD . . 3.620 2.514 2.321 2.988 . 0 0 "[ . 1 . 2]" 1
3246 2 68 LYS HA 2 68 LYS HG2 . . 3.630 3.293 3.142 3.449 . 0 0 "[ . 1 . 2]" 1
3247 2 68 LYS H 2 68 LYS HG3 . . 3.860 3.703 3.583 3.868 0.008 16 0 "[ . 1 . 2]" 1
3248 2 68 LYS HG2 2 69 GLY H . . 4.530 4.147 3.942 4.543 0.013 16 0 "[ . 1 . 2]" 1
3249 2 68 LYS QD 2 69 GLY H . . 5.020 4.646 4.460 4.773 . 0 0 "[ . 1 . 2]" 1
3250 2 68 LYS H 2 69 GLY HA3 . . 5.180 4.959 4.872 5.154 . 0 0 "[ . 1 . 2]" 1
3251 2 68 LYS H 2 69 GLY H . . 3.070 2.272 2.176 2.512 . 0 0 "[ . 1 . 2]" 1
3252 2 68 LYS H 2 69 GLY HA2 . . 5.020 4.577 4.480 4.788 . 0 0 "[ . 1 . 2]" 1
3253 2 68 LYS HB2 2 69 GLY H . . 3.400 3.090 2.924 3.396 . 0 0 "[ . 1 . 2]" 1
3254 2 68 LYS HB3 2 69 GLY H . . 4.370 4.144 4.046 4.259 . 0 0 "[ . 1 . 2]" 1
3255 2 68 LYS HA 2 69 GLY HA3 . . 4.560 4.511 4.501 4.517 . 0 0 "[ . 1 . 2]" 1
3256 2 68 LYS H 2 70 ILE HB . . 5.500 5.531 5.364 5.586 0.086 7 0 "[ . 1 . 2]" 1
3257 2 68 LYS HB3 2 70 ILE HG13 . . 3.750 3.310 2.757 3.621 . 0 0 "[ . 1 . 2]" 1
3258 2 68 LYS HB2 2 70 ILE H . . 4.240 3.300 3.068 3.568 . 0 0 "[ . 1 . 2]" 1
3259 2 68 LYS H 2 70 ILE HG12 . . 5.500 5.472 5.076 5.572 0.072 19 0 "[ . 1 . 2]" 1
3260 2 68 LYS H 2 70 ILE H . . 4.430 3.936 3.796 4.147 . 0 0 "[ . 1 . 2]" 1
3261 2 68 LYS H 2 70 ILE HG13 . . 5.500 3.945 3.750 3.990 . 0 0 "[ . 1 . 2]" 1
3262 2 68 LYS HB3 2 70 ILE H . . 4.980 4.695 4.530 4.949 . 0 0 "[ . 1 . 2]" 1
3263 2 68 LYS HA 2 70 ILE H . . 5.270 5.141 4.998 5.289 0.019 9 0 "[ . 1 . 2]" 1
3264 2 68 LYS HB3 2 70 ILE HG12 . . 3.890 3.753 3.439 3.915 0.025 13 0 "[ . 1 . 2]" 1
3265 2 68 LYS HB2 2 70 ILE HG13 . . 3.630 1.973 1.931 1.990 . 0 0 "[ . 1 . 2]" 1
3266 2 69 GLY H 2 69 GLY HA2 . . 2.860 2.332 2.298 2.360 . 0 0 "[ . 1 . 2]" 1
3267 2 69 GLY H 2 70 ILE HG12 . . 5.500 4.775 4.551 4.998 . 0 0 "[ . 1 . 2]" 1
3268 2 69 GLY HA2 2 70 ILE H . . 3.520 2.825 2.690 2.928 . 0 0 "[ . 1 . 2]" 1
3269 2 69 GLY H 2 70 ILE HB . . 5.500 4.836 4.696 5.082 . 0 0 "[ . 1 . 2]" 1
3270 2 69 GLY H 2 70 ILE HG13 . . 5.500 3.552 3.445 3.762 . 0 0 "[ . 1 . 2]" 1
3271 2 69 GLY H 2 70 ILE HA . . 5.410 5.013 4.892 5.223 . 0 0 "[ . 1 . 2]" 1
3272 2 69 GLY H 2 70 ILE H . . 3.080 2.438 2.263 2.707 . 0 0 "[ . 1 . 2]" 1
3273 2 70 ILE HB 2 70 ILE MD . . 3.200 2.473 2.424 2.508 . 0 0 "[ . 1 . 2]" 1
3274 2 70 ILE HA 2 70 ILE MD . . 4.230 3.788 3.766 3.813 . 0 0 "[ . 1 . 2]" 1
3275 2 70 ILE HA 2 70 ILE HG13 . . 4.200 3.288 3.198 3.394 . 0 0 "[ . 1 . 2]" 1
3276 2 70 ILE MD 2 70 ILE MG . . 2.800 1.952 1.883 2.014 . 0 0 "[ . 1 . 2]" 1
3277 2 70 ILE H 2 70 ILE HB . . 3.200 2.641 2.577 2.696 . 0 0 "[ . 1 . 2]" 1
3278 2 70 ILE H 2 70 ILE MG . . 3.860 3.815 3.786 3.848 . 0 0 "[ . 1 . 2]" 1
3279 2 70 ILE H 2 70 ILE HG12 . . 3.380 3.263 2.948 3.423 0.043 9 0 "[ . 1 . 2]" 1
3280 2 70 ILE H 2 70 ILE MD . . 3.950 3.823 3.715 3.937 . 0 0 "[ . 1 . 2]" 1
3281 2 70 ILE HA 2 70 ILE HG12 . . 4.200 2.548 2.519 2.583 . 0 0 "[ . 1 . 2]" 1
3282 2 70 ILE H 2 70 ILE HG13 . . 3.120 2.273 2.093 2.449 . 0 0 "[ . 1 . 2]" 1
3283 2 70 ILE HA 2 70 ILE MG . . 3.430 2.349 2.310 2.389 . 0 0 "[ . 1 . 2]" 1
3284 2 70 ILE HA 2 71 PRO HD2 . . 3.930 2.099 2.076 2.114 . 0 0 "[ . 1 . 2]" 1
3285 2 70 ILE MD 2 71 PRO HD3 . . 5.350 5.423 5.405 5.456 0.106 13 0 "[ . 1 . 2]" 1
3286 2 70 ILE MD 2 71 PRO HD2 . . 5.200 4.356 4.319 4.420 . 0 0 "[ . 1 . 2]" 1
3287 2 70 ILE H 2 71 PRO HD3 . . 5.160 4.825 4.789 4.855 . 0 0 "[ . 1 . 2]" 1
3288 2 70 ILE HA 2 71 PRO HG2 . . 4.320 4.272 4.253 4.284 . 0 0 "[ . 1 . 2]" 1
3289 2 70 ILE MG 2 71 PRO HD3 . . 3.970 3.269 3.236 3.314 . 0 0 "[ . 1 . 2]" 1
3290 2 70 ILE MG 2 71 PRO HA . . 4.530 4.183 4.103 4.286 . 0 0 "[ . 1 . 2]" 1
3291 2 70 ILE MG 2 71 PRO HD2 . . 3.700 1.935 1.901 1.987 . 0 0 "[ . 1 . 2]" 1
3292 2 70 ILE H 2 71 PRO HD2 . . 5.370 4.831 4.820 4.837 . 0 0 "[ . 1 . 2]" 1
3293 2 70 ILE MG 2 72 PHE H . . 4.560 4.474 4.170 4.604 0.044 19 0 "[ . 1 . 2]" 1
3294 2 70 ILE MG 2 72 PHE QD . . 4.650 3.990 3.595 4.431 . 0 0 "[ . 1 . 2]" 1
3295 2 70 ILE HB 2 72 PHE QD . . 4.800 3.385 2.942 4.249 . 0 0 "[ . 1 . 2]" 1
3296 2 70 ILE MG 2 72 PHE HA . . 4.730 4.505 4.280 4.607 . 0 0 "[ . 1 . 2]" 1
3297 2 71 PRO HA 2 72 PHE HA . . 5.090 4.392 4.384 4.415 . 0 0 "[ . 1 . 2]" 1
3298 2 71 PRO HB2 2 72 PHE H . . 4.280 3.938 3.822 4.076 . 0 0 "[ . 1 . 2]" 1
3299 2 71 PRO HG2 2 72 PHE H . . 5.110 5.042 5.029 5.047 . 0 0 "[ . 1 . 2]" 1
3300 2 71 PRO HB3 2 72 PHE H . . 4.560 4.291 4.203 4.398 . 0 0 "[ . 1 . 2]" 1
3301 2 71 PRO HA 2 72 PHE H . . 2.670 2.198 2.166 2.254 . 0 0 "[ . 1 . 2]" 1
3302 2 71 PRO HA 2 72 PHE QD . . 4.330 4.097 3.336 4.356 0.026 1 0 "[ . 1 . 2]" 1
3303 2 72 PHE H 2 72 PHE QD . . 3.360 2.774 1.982 3.093 . 0 0 "[ . 1 . 2]" 1
3304 2 72 PHE H 2 72 PHE HB2 . . 4.080 3.842 3.751 3.902 . 0 0 "[ . 1 . 2]" 1
3305 2 72 PHE HA 2 72 PHE QD . . 3.760 3.707 3.692 3.719 . 0 0 "[ . 1 . 2]" 1
3306 2 72 PHE H 2 73 THR H . . 4.700 4.430 4.411 4.466 . 0 0 "[ . 1 . 2]" 1
3307 2 72 PHE HB2 2 73 THR H . . 3.860 2.213 2.165 2.262 . 0 0 "[ . 1 . 2]" 1
3308 2 72 PHE HA 2 73 THR H . . 3.260 2.536 2.530 2.543 . 0 0 "[ . 1 . 2]" 1
3309 2 72 PHE QD 2 73 THR HB . . 5.500 5.080 4.822 5.530 0.030 16 0 "[ . 1 . 2]" 1
3310 2 72 PHE QD 2 73 THR H . . 3.910 2.764 2.511 3.032 . 0 0 "[ . 1 . 2]" 1
3311 2 72 PHE HA 2 73 THR HB . . 5.330 4.779 4.595 5.028 . 0 0 "[ . 1 . 2]" 1
3312 2 72 PHE QD 2 73 THR HA . . 3.920 3.153 2.850 3.960 0.040 19 0 "[ . 1 . 2]" 1
3313 2 72 PHE QD 2 73 THR MG . . 5.500 4.761 4.534 5.294 . 0 0 "[ . 1 . 2]" 1
3314 2 72 PHE HB3 2 73 THR H . . 3.710 3.678 3.600 3.732 0.022 16 0 "[ . 1 . 2]" 1
3315 2 72 PHE QD 2 74 VAL H . . 5.000 3.469 3.046 4.534 . 0 0 "[ . 1 . 2]" 1
3316 2 72 PHE QE 2 74 VAL QG . . 4.020 2.635 1.924 3.650 . 0 0 "[ . 1 . 2]" 1
3317 2 73 THR HA 2 73 THR MG . . 3.250 2.189 2.045 2.329 . 0 0 "[ . 1 . 2]" 1
3318 2 73 THR H 2 73 THR HB . . 3.730 3.073 2.970 3.236 . 0 0 "[ . 1 . 2]" 1
3319 2 73 THR H 2 73 THR MG . . 4.040 4.013 3.989 4.037 . 0 0 "[ . 1 . 2]" 1
3320 2 73 THR HA 2 74 VAL H . . 3.060 2.155 2.142 2.206 . 0 0 "[ . 1 . 2]" 1
3321 2 73 THR HA 2 74 VAL QG . . 4.090 3.561 3.395 3.657 . 0 0 "[ . 1 . 2]" 1
3322 2 73 THR HB 2 74 VAL H . . 4.490 4.076 3.735 4.268 . 0 0 "[ . 1 . 2]" 1
3323 2 73 THR MG 2 74 VAL H . . 3.140 2.843 2.442 3.043 . 0 0 "[ . 1 . 2]" 1
3324 2 73 THR H 2 74 VAL QG . . 5.020 4.563 4.067 5.016 . 0 0 "[ . 1 . 2]" 1
3325 2 73 THR HB 2 75 TYR QD . . 4.200 3.925 3.444 4.215 0.015 3 0 "[ . 1 . 2]" 1
3326 2 73 THR H 2 75 TYR QE . . 5.500 4.697 4.166 5.254 . 0 0 "[ . 1 . 2]" 1
3327 2 73 THR HB 2 75 TYR QE . . 3.820 2.347 1.996 3.128 . 0 0 "[ . 1 . 2]" 1
3328 2 73 THR MG 2 75 TYR QD . . 3.700 3.604 3.318 3.712 0.012 16 0 "[ . 1 . 2]" 1
3329 2 73 THR MG 2 75 TYR HA . . 5.160 4.473 4.158 4.925 . 0 0 "[ . 1 . 2]" 1
3330 2 73 THR MG 2 75 TYR QE . . 3.760 2.788 2.459 2.975 . 0 0 "[ . 1 . 2]" 1
3331 2 74 VAL H 2 74 VAL HB . . 3.560 2.781 2.615 3.096 . 0 0 "[ . 1 . 2]" 1
3332 2 74 VAL H 2 74 VAL QG . . 3.380 2.070 1.893 2.380 . 0 0 "[ . 1 . 2]" 1
3333 2 74 VAL HB 2 75 TYR H . . 4.810 4.064 3.866 4.265 . 0 0 "[ . 1 . 2]" 1
3334 2 74 VAL QG 2 75 TYR H . . 3.370 2.486 2.112 2.885 . 0 0 "[ . 1 . 2]" 1
3335 2 74 VAL HA 2 75 TYR H . . 3.360 2.173 2.140 2.217 . 0 0 "[ . 1 . 2]" 1
3336 2 74 VAL H 2 75 TYR H . . 5.150 4.492 4.326 4.577 . 0 0 "[ . 1 . 2]" 1
3337 2 74 VAL QG 2 75 TYR HA . . 4.640 3.587 3.287 3.960 . 0 0 "[ . 1 . 2]" 1
3338 2 74 VAL H 2 75 TYR QD . . 5.200 5.031 4.482 5.223 0.023 20 0 "[ . 1 . 2]" 1
3339 2 75 TYR HA 2 75 TYR QD . . 4.320 2.833 2.494 3.157 . 0 0 "[ . 1 . 2]" 1
3340 2 75 TYR H 2 75 TYR HB2 . . 4.170 2.593 2.440 2.758 . 0 0 "[ . 1 . 2]" 1
3341 2 75 TYR H 2 75 TYR QD . . 3.850 2.949 2.228 3.385 . 0 0 "[ . 1 . 2]" 1
3342 2 75 TYR HA 2 76 VAL H . . 3.200 2.273 2.185 2.435 . 0 0 "[ . 1 . 2]" 1
3343 2 75 TYR HA 2 76 VAL QG . . 4.110 3.449 3.090 3.760 . 0 0 "[ . 1 . 2]" 1
3344 2 75 TYR HB2 2 76 VAL H . . 4.670 3.905 3.429 4.139 . 0 0 "[ . 1 . 2]" 1
3345 2 75 TYR QD 2 76 VAL H . . 4.430 3.795 3.624 4.156 . 0 0 "[ . 1 . 2]" 1
3346 2 75 TYR HB3 2 76 VAL H . . 4.390 2.782 2.402 3.080 . 0 0 "[ . 1 . 2]" 1
3347 2 76 VAL H 2 76 VAL QG . . 3.800 2.251 1.997 2.980 . 0 0 "[ . 1 . 2]" 1
3348 2 76 VAL HA 2 77 GLU HA . . 5.040 4.316 4.293 4.358 . 0 0 "[ . 1 . 2]" 1
3349 2 76 VAL HA 2 77 GLU H . . 3.300 2.242 2.149 2.357 . 0 0 "[ . 1 . 2]" 1
3350 2 76 VAL QG 2 77 GLU H . . 3.830 2.574 1.925 3.523 . 0 0 "[ . 1 . 2]" 1
3351 2 76 VAL HB 2 77 GLU H . . 4.180 3.612 2.495 4.185 0.005 8 0 "[ . 1 . 2]" 1
3352 2 76 VAL H 2 77 GLU HA . . 5.000 4.959 4.733 5.021 0.021 20 0 "[ . 1 . 2]" 1
3353 2 77 GLU H 2 77 GLU HG2 . . 5.200 4.098 1.959 4.616 . 0 0 "[ . 1 . 2]" 1
3354 2 77 GLU H 2 77 GLU HG3 . . 5.200 4.018 2.831 4.546 . 0 0 "[ . 1 . 2]" 1
3355 2 77 GLU H 2 77 GLU QB . . 3.530 2.221 2.076 2.554 . 0 0 "[ . 1 . 2]" 1
3356 2 77 GLU H 2 78 GLU HA . . 5.500 5.525 5.480 5.563 0.063 5 0 "[ . 1 . 2]" 1
3357 2 77 GLU QB 2 78 GLU H . . 4.500 3.673 2.608 3.935 . 0 0 "[ . 1 . 2]" 1
3358 2 77 GLU HA 2 78 GLU H . . 3.150 2.169 2.140 2.318 . 0 0 "[ . 1 . 2]" 1
3359 2 77 GLU HG2 2 78 GLU H . . 5.200 3.987 2.402 5.078 . 0 0 "[ . 1 . 2]" 1
3360 2 77 GLU H 2 78 GLU H . . 4.750 4.442 4.330 4.635 . 0 0 "[ . 1 . 2]" 1
3361 2 77 GLU HG3 2 78 GLU H . . 5.200 4.218 3.126 5.074 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 55
_Distance_constraint_stats_list.Viol_total 164.240
_Distance_constraint_stats_list.Viol_max 0.674
_Distance_constraint_stats_list.Viol_rms 0.0639
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.1493
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 ILE 4.688 0.674 5 2 "[ - + 1 . 2]"
1 13 VAL 0.983 0.363 10 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.061 0.061 11 0 "[ . 1 . 2]"
1 73 THR 1.406 0.500 13 1 "[ . 1 + . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 0.198 0.029 11 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 17 0 "[ . 1 . 2]"
1 77 GLU 0.876 0.478 12 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ILE 1.171 0.363 10 0 "[ . 1 . 2]"
2 13 VAL 4.337 0.674 5 2 "[ - + 1 . 2]"
2 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 THR 0.876 0.478 12 0 "[ . 1 . 2]"
2 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 TYR 0.412 0.062 6 0 "[ . 1 . 2]"
2 76 VAL 0.010 0.005 15 0 "[ . 1 . 2]"
2 77 GLU 1.406 0.500 13 1 "[ . 1 + . 2]"
2 78 GLU 0.000 0.000 17 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 11 ILE MD 2 13 VAL MG1 . . 3.800 3.835 2.942 4.474 0.674 5 2 "[ - + 1 . 2]" 2
2 1 11 ILE MD 2 50 VAL QG . . 4.200 3.691 2.933 3.893 . 0 0 "[ . 1 . 2]" 2
3 1 11 ILE MG 2 75 TYR QE . . 5.200 5.196 5.027 5.262 0.062 6 0 "[ . 1 . 2]" 2
4 1 11 ILE MD 2 75 TYR QE . . 5.000 2.655 2.282 2.882 . 0 0 "[ . 1 . 2]" 2
5 1 11 ILE MD 2 75 TYR QD . . 4.600 2.629 2.530 2.789 . 0 0 "[ . 1 . 2]" 2
6 1 13 VAL MG1 2 52 LEU QD . . 4.200 3.363 2.921 4.086 . 0 0 "[ . 1 . 2]" 2
7 1 39 GLN HG3 2 50 VAL QG . . 3.800 2.009 1.874 2.523 . 0 0 "[ . 1 . 2]" 2
8 1 52 LEU QD 2 75 TYR QE . . 5.000 3.961 3.459 4.364 . 0 0 "[ . 1 . 2]" 2
9 1 73 THR MG 2 77 GLU HG2 . . 4.500 3.164 1.986 4.335 . 0 0 "[ . 1 . 2]" 2
10 1 73 THR MG 2 77 GLU HG3 . . 4.000 3.120 1.975 4.500 0.500 13 1 "[ . 1 + . 2]" 2
11 1 73 THR MG 2 77 GLU QB . . 4.800 3.418 1.979 4.378 . 0 0 "[ . 1 . 2]" 2
12 1 74 VAL QG 2 78 GLU QG . . 4.800 4.282 3.248 4.771 . 0 0 "[ . 1 . 2]" 2
13 1 74 VAL QG 2 78 GLU QB . . 4.500 4.160 3.626 4.495 . 0 0 "[ . 1 . 2]" 2
14 1 75 TYR QD 2 76 VAL HA . . 4.800 3.275 2.363 4.804 0.004 4 0 "[ . 1 . 2]" 2
15 1 75 TYR QE 2 76 VAL HA . . 5.200 3.687 2.732 5.205 0.005 15 0 "[ . 1 . 2]" 2
16 1 75 TYR HA 2 77 GLU HA . . 4.800 3.166 2.101 4.674 . 0 0 "[ . 1 . 2]" 2
17 1 75 TYR QE 2 77 GLU QB . . 4.800 2.693 2.013 3.555 . 0 0 "[ . 1 . 2]" 2
18 1 76 VAL QG 2 78 GLU HA . . 4.500 3.881 3.372 4.500 . 17 0 "[ . 1 . 2]" 2
19 1 13 VAL MG2 2 11 ILE MD . . 3.800 3.257 2.165 4.163 0.363 10 0 "[ . 1 . 2]" 2
20 1 50 VAL QG 2 11 ILE MD . . 4.200 3.635 2.518 3.893 . 0 0 "[ . 1 . 2]" 2
21 1 75 TYR QE 2 11 ILE MG . . 5.200 5.159 4.744 5.229 0.029 11 0 "[ . 1 . 2]" 2
22 1 75 TYR QE 2 11 ILE MD . . 5.000 2.618 2.382 2.891 . 0 0 "[ . 1 . 2]" 2
23 1 75 TYR QD 2 11 ILE MD . . 4.600 2.623 2.135 2.791 . 0 0 "[ . 1 . 2]" 2
24 1 52 LEU QD 2 13 VAL MG2 . . 4.200 3.501 2.968 4.261 0.061 11 0 "[ . 1 . 2]" 2
25 1 50 VAL QG 2 39 GLN HG3 . . 3.800 2.060 1.883 2.920 . 0 0 "[ . 1 . 2]" 2
26 1 75 TYR QE 2 52 LEU QD . . 5.000 4.092 3.628 4.479 . 0 0 "[ . 1 . 2]" 2
27 1 77 GLU HG2 2 73 THR MG . . 4.500 3.301 2.053 4.250 . 0 0 "[ . 1 . 2]" 2
28 1 77 GLU HG3 2 73 THR MG . . 4.000 2.688 1.929 4.478 0.478 12 0 "[ . 1 . 2]" 2
29 1 77 GLU QB 2 73 THR MG . . 4.800 3.371 2.063 4.363 . 0 0 "[ . 1 . 2]" 2
30 1 78 GLU QG 2 74 VAL QG . . 4.800 4.086 2.575 4.771 . 0 0 "[ . 1 . 2]" 2
31 1 78 GLU QB 2 74 VAL QG . . 4.500 4.035 3.285 4.490 . 0 0 "[ . 1 . 2]" 2
32 1 76 VAL HA 2 75 TYR QD . . 4.800 3.256 2.119 4.264 . 0 0 "[ . 1 . 2]" 2
33 1 76 VAL HA 2 75 TYR QE . . 5.200 3.810 2.996 4.860 . 0 0 "[ . 1 . 2]" 2
34 1 77 GLU HA 2 75 TYR HA . . 4.800 3.191 1.984 4.166 . 0 0 "[ . 1 . 2]" 2
35 1 77 GLU QB 2 75 TYR QE . . 4.800 2.397 1.971 3.522 . 0 0 "[ . 1 . 2]" 2
36 1 78 GLU HA 2 76 VAL QG . . 4.500 3.838 2.646 4.488 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 355
_Distance_constraint_stats_list.Viol_total 170.065
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0240
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 THR 0.337 0.048 6 0 "[ . 1 . 2]"
1 11 ILE 0.185 0.047 12 0 "[ . 1 . 2]"
1 12 PHE 0.209 0.032 12 0 "[ . 1 . 2]"
1 13 VAL 0.132 0.037 18 0 "[ . 1 . 2]"
1 14 ILE 0.216 0.071 17 0 "[ . 1 . 2]"
1 18 ASN 0.500 0.057 11 0 "[ . 1 . 2]"
1 19 GLU 0.264 0.032 17 0 "[ . 1 . 2]"
1 20 GLU 0.971 0.082 13 0 "[ . 1 . 2]"
1 21 GLN 0.062 0.020 20 0 "[ . 1 . 2]"
1 22 VAL 0.530 0.057 11 0 "[ . 1 . 2]"
1 23 ALA 0.963 0.058 5 0 "[ . 1 . 2]"
1 24 PHE 1.932 0.082 13 0 "[ . 1 . 2]"
1 25 LEU 0.062 0.020 20 0 "[ . 1 . 2]"
1 26 GLU 0.030 0.011 5 0 "[ . 1 . 2]"
1 27 ALA 0.699 0.058 5 0 "[ . 1 . 2]"
1 28 LEU 0.962 0.054 11 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.024 0.008 5 0 "[ . 1 . 2]"
1 40 ASN 0.314 0.034 12 0 "[ . 1 . 2]"
1 44 GLU 0.201 0.060 17 0 "[ . 1 . 2]"
1 47 GLN 0.201 0.060 17 0 "[ . 1 . 2]"
1 49 VAL 0.216 0.071 17 0 "[ . 1 . 2]"
1 50 VAL 0.314 0.034 12 0 "[ . 1 . 2]"
1 51 ILE 0.209 0.032 12 0 "[ . 1 . 2]"
1 52 LEU 0.024 0.008 5 0 "[ . 1 . 2]"
1 53 ILE 0.337 0.048 6 0 "[ . 1 . 2]"
1 54 PRO 0.329 0.037 6 0 "[ . 1 . 2]"
1 57 MET 0.329 0.037 6 0 "[ . 1 . 2]"
1 58 VAL 0.138 0.058 3 0 "[ . 1 . 2]"
1 59 GLU 0.956 0.052 19 0 "[ . 1 . 2]"
1 60 TRP 0.618 0.072 5 0 "[ . 1 . 2]"
1 61 PHE 0.065 0.014 10 0 "[ . 1 . 2]"
1 62 LEU 0.389 0.058 3 0 "[ . 1 . 2]"
1 63 GLU 0.956 0.052 19 0 "[ . 1 . 2]"
1 64 MET 0.618 0.072 5 0 "[ . 1 . 2]"
1 65 LEU 1.104 0.067 18 0 "[ . 1 . 2]"
1 66 LYS 0.251 0.046 19 0 "[ . 1 . 2]"
1 70 ILE 1.039 0.067 18 0 "[ . 1 . 2]"
1 73 THR 0.132 0.037 18 0 "[ . 1 . 2]"
1 75 TYR 0.185 0.047 12 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 11 ILE H 1 75 TYR O . . 2.000 1.987 1.803 2.047 0.047 12 0 "[ . 1 . 2]" 3
2 1 11 ILE N 1 75 TYR O . 2.700 3.000 2.922 2.777 2.994 . 0 0 "[ . 1 . 2]" 3
3 1 12 PHE H 1 51 ILE O . . 2.000 1.835 1.794 2.032 0.032 12 0 "[ . 1 . 2]" 3
4 1 12 PHE N 1 51 ILE O . 2.700 3.000 2.772 2.733 2.877 . 0 0 "[ . 1 . 2]" 3
5 1 13 VAL H 1 73 THR O . . 2.000 1.970 1.799 2.037 0.037 18 0 "[ . 1 . 2]" 3
6 1 13 VAL N 1 73 THR O . 2.700 3.000 2.933 2.777 2.997 . 0 0 "[ . 1 . 2]" 3
7 1 14 ILE H 1 49 VAL O . . 2.000 1.942 1.847 2.071 0.071 17 0 "[ . 1 . 2]" 3
8 1 14 ILE N 1 49 VAL O . 2.700 3.000 2.833 2.741 2.995 . 0 0 "[ . 1 . 2]" 3
9 1 18 ASN O 1 22 VAL H . . 2.000 2.017 1.981 2.057 0.057 11 0 "[ . 1 . 2]" 3
10 1 18 ASN O 1 22 VAL N . 2.700 3.000 2.994 2.962 3.032 0.032 11 0 "[ . 1 . 2]" 3
11 1 19 GLU O 1 23 ALA H . . 2.000 1.788 1.768 1.808 0.032 17 0 "[ . 1 . 2]" 3
12 1 19 GLU O 1 23 ALA N . 2.700 3.000 2.730 2.712 2.743 . 0 0 "[ . 1 . 2]" 3
13 1 20 GLU O 1 24 PHE H . . 2.000 2.049 2.007 2.082 0.082 13 0 "[ . 1 . 2]" 3
14 1 20 GLU O 1 24 PHE N . 2.700 3.000 2.933 2.865 2.975 . 0 0 "[ . 1 . 2]" 3
15 1 21 GLN O 1 25 LEU H . . 2.000 1.952 1.809 2.020 0.020 20 0 "[ . 1 . 2]" 3
16 1 21 GLN O 1 25 LEU N . 2.700 3.000 2.891 2.757 2.955 . 0 0 "[ . 1 . 2]" 3
17 1 22 VAL O 1 26 GLU H . . 2.000 1.841 1.789 1.959 0.011 5 0 "[ . 1 . 2]" 3
18 1 22 VAL O 1 26 GLU N . 2.700 3.000 2.817 2.763 2.928 . 0 0 "[ . 1 . 2]" 3
19 1 23 ALA O 1 27 ALA H . . 2.000 2.035 2.012 2.058 0.058 5 0 "[ . 1 . 2]" 3
20 1 23 ALA O 1 27 ALA N . 2.700 3.000 2.773 2.745 2.815 . 0 0 "[ . 1 . 2]" 3
21 1 24 PHE O 1 28 LEU H . . 2.000 2.042 2.026 2.054 0.054 11 0 "[ . 1 . 2]" 3
22 1 24 PHE O 1 28 LEU N . 2.700 3.000 3.004 2.986 3.015 0.015 9 0 "[ . 1 . 2]" 3
23 1 25 LEU O 1 29 ALA H . . 2.500 2.171 2.027 2.333 . 0 0 "[ . 1 . 2]" 3
24 1 25 LEU O 1 29 ALA N . 2.700 3.500 3.038 2.908 3.195 . 0 0 "[ . 1 . 2]" 3
25 1 44 GLU O 1 47 GLN H . . 2.500 2.498 2.455 2.560 0.060 17 0 "[ . 1 . 2]" 3
26 1 44 GLU O 1 47 GLN N . 2.700 3.500 3.378 3.334 3.435 . 0 0 "[ . 1 . 2]" 3
27 1 14 ILE O 1 49 VAL H . . 2.000 1.911 1.834 2.015 0.015 5 0 "[ . 1 . 2]" 3
28 1 14 ILE O 1 49 VAL N . 2.700 3.000 2.818 2.731 2.960 . 0 0 "[ . 1 . 2]" 3
29 1 40 ASN OD1 1 50 VAL H . . 2.500 2.476 1.800 2.534 0.034 12 0 "[ . 1 . 2]" 3
30 1 40 ASN OD1 1 50 VAL N . 2.700 3.500 3.314 2.779 3.432 . 0 0 "[ . 1 . 2]" 3
31 1 12 PHE O 1 51 ILE H . . 2.000 1.982 1.845 2.024 0.024 10 0 "[ . 1 . 2]" 3
32 1 12 PHE O 1 51 ILE N . 2.700 3.000 2.757 2.728 2.835 . 0 0 "[ . 1 . 2]" 3
33 1 37 ASP O 1 52 LEU H . . 2.000 1.908 1.792 2.008 0.008 5 0 "[ . 1 . 2]" 3
34 1 37 ASP O 1 52 LEU N . 2.700 3.000 2.852 2.742 2.951 . 0 0 "[ . 1 . 2]" 3
35 1 10 THR O 1 53 ILE H . . 2.000 2.004 1.860 2.048 0.048 6 0 "[ . 1 . 2]" 3
36 1 10 THR O 1 53 ILE N . 2.700 3.000 2.860 2.755 2.925 . 0 0 "[ . 1 . 2]" 3
37 1 54 PRO O 1 57 MET H . . 2.000 2.013 1.958 2.037 0.037 6 0 "[ . 1 . 2]" 3
38 1 54 PRO O 1 57 MET N . 2.700 3.000 2.924 2.836 2.961 . 0 0 "[ . 1 . 2]" 3
39 1 58 VAL O 1 62 LEU H . . 2.000 1.930 1.793 2.058 0.058 3 0 "[ . 1 . 2]" 3
40 1 58 VAL O 1 62 LEU N . 2.700 3.000 2.804 2.720 2.975 . 0 0 "[ . 1 . 2]" 3
41 1 59 GLU O 1 63 GLU H . . 2.000 2.037 2.019 2.052 0.052 19 0 "[ . 1 . 2]" 3
42 1 59 GLU O 1 63 GLU N . 2.700 3.000 3.008 2.967 3.029 0.029 19 0 "[ . 1 . 2]" 3
43 1 60 TRP O 1 64 MET H . . 2.000 2.030 1.979 2.072 0.072 5 0 "[ . 1 . 2]" 3
44 1 60 TRP O 1 64 MET N . 2.700 3.000 2.868 2.783 2.943 . 0 0 "[ . 1 . 2]" 3
45 1 61 PHE O 1 65 LEU H . . 2.000 1.911 1.786 2.012 0.014 10 0 "[ . 1 . 2]" 3
46 1 61 PHE O 1 65 LEU N . 2.700 3.000 2.875 2.755 2.976 . 0 0 "[ . 1 . 2]" 3
47 1 62 LEU O 1 66 LYS H . . 2.000 2.003 1.940 2.046 0.046 19 0 "[ . 1 . 2]" 3
48 1 62 LEU O 1 66 LYS N . 2.700 3.000 2.905 2.842 2.988 . 0 0 "[ . 1 . 2]" 3
49 1 65 LEU O 1 70 ILE H . . 2.000 2.043 2.015 2.067 0.067 18 0 "[ . 1 . 2]" 3
50 1 65 LEU O 1 70 ILE N . 2.700 3.000 3.005 2.966 3.029 0.029 13 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 365
_Distance_constraint_stats_list.Viol_total 189.325
_Distance_constraint_stats_list.Viol_max 0.104
_Distance_constraint_stats_list.Viol_rms 0.0170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0259
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 10 THR 0.330 0.040 18 0 "[ . 1 . 2]"
2 11 ILE 0.447 0.069 19 0 "[ . 1 . 2]"
2 12 PHE 0.309 0.038 6 0 "[ . 1 . 2]"
2 13 VAL 0.378 0.049 6 0 "[ . 1 . 2]"
2 14 ILE 0.310 0.084 7 0 "[ . 1 . 2]"
2 18 ASN 0.336 0.049 4 0 "[ . 1 . 2]"
2 19 GLU 0.196 0.030 4 0 "[ . 1 . 2]"
2 20 GLU 0.781 0.066 8 0 "[ . 1 . 2]"
2 21 GLN 0.087 0.021 7 0 "[ . 1 . 2]"
2 22 VAL 0.342 0.049 4 0 "[ . 1 . 2]"
2 23 ALA 1.048 0.066 20 0 "[ . 1 . 2]"
2 24 PHE 1.366 0.066 8 0 "[ . 1 . 2]"
2 25 LEU 0.087 0.021 7 0 "[ . 1 . 2]"
2 26 GLU 0.007 0.003 3 0 "[ . 1 . 2]"
2 27 ALA 0.852 0.066 20 0 "[ . 1 . 2]"
2 28 LEU 0.585 0.059 8 0 "[ . 1 . 2]"
2 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 ASP 0.048 0.019 1 0 "[ . 1 . 2]"
2 40 ASN 0.224 0.044 17 0 "[ . 1 . 2]"
2 44 GLU 0.615 0.096 16 0 "[ . 1 . 2]"
2 47 GLN 0.615 0.096 16 0 "[ . 1 . 2]"
2 49 VAL 0.310 0.084 7 0 "[ . 1 . 2]"
2 50 VAL 0.224 0.044 17 0 "[ . 1 . 2]"
2 51 ILE 0.309 0.038 6 0 "[ . 1 . 2]"
2 52 LEU 0.048 0.019 1 0 "[ . 1 . 2]"
2 53 ILE 0.330 0.040 18 0 "[ . 1 . 2]"
2 54 PRO 0.374 0.036 15 0 "[ . 1 . 2]"
2 57 MET 0.374 0.036 15 0 "[ . 1 . 2]"
2 58 VAL 0.104 0.042 13 0 "[ . 1 . 2]"
2 59 GLU 1.005 0.062 5 0 "[ . 1 . 2]"
2 60 TRP 0.850 0.104 15 0 "[ . 1 . 2]"
2 61 PHE 0.209 0.085 9 0 "[ . 1 . 2]"
2 62 LEU 0.551 0.060 9 0 "[ . 1 . 2]"
2 63 GLU 1.005 0.062 5 0 "[ . 1 . 2]"
2 64 MET 0.850 0.104 15 0 "[ . 1 . 2]"
2 65 LEU 1.181 0.093 9 0 "[ . 1 . 2]"
2 66 LYS 0.448 0.060 9 0 "[ . 1 . 2]"
2 70 ILE 0.972 0.093 9 0 "[ . 1 . 2]"
2 73 THR 0.378 0.049 6 0 "[ . 1 . 2]"
2 75 TYR 0.447 0.069 19 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 2 11 ILE H 2 75 TYR O . . 2.000 2.021 1.983 2.069 0.069 19 0 "[ . 1 . 2]" 4
2 2 11 ILE N 2 75 TYR O . 2.700 3.000 2.947 2.838 3.013 0.013 6 0 "[ . 1 . 2]" 4
3 2 12 PHE H 2 51 ILE O . . 2.000 1.829 1.767 1.917 0.033 19 0 "[ . 1 . 2]" 4
4 2 12 PHE N 2 51 ILE O . 2.700 3.000 2.751 2.680 2.861 0.020 15 0 "[ . 1 . 2]" 4
5 2 13 VAL H 2 73 THR O . . 2.000 1.981 1.791 2.049 0.049 6 0 "[ . 1 . 2]" 4
6 2 13 VAL N 2 73 THR O . 2.700 3.000 2.925 2.764 3.007 0.007 12 0 "[ . 1 . 2]" 4
7 2 14 ILE H 2 49 VAL O . . 2.000 1.960 1.804 2.084 0.084 7 0 "[ . 1 . 2]" 4
8 2 14 ILE N 2 49 VAL O . 2.700 3.000 2.858 2.736 2.992 . 0 0 "[ . 1 . 2]" 4
9 2 18 ASN O 2 22 VAL H . . 2.000 2.013 1.987 2.049 0.049 4 0 "[ . 1 . 2]" 4
10 2 18 ASN O 2 22 VAL N . 2.700 3.000 2.991 2.962 3.027 0.027 4 0 "[ . 1 . 2]" 4
11 2 19 GLU O 2 23 ALA H . . 2.000 1.791 1.770 1.815 0.030 4 0 "[ . 1 . 2]" 4
12 2 19 GLU O 2 23 ALA N . 2.700 3.000 2.740 2.720 2.758 . 0 0 "[ . 1 . 2]" 4
13 2 20 GLU O 2 24 PHE H . . 2.000 2.039 2.017 2.066 0.066 8 0 "[ . 1 . 2]" 4
14 2 20 GLU O 2 24 PHE N . 2.700 3.000 2.920 2.855 2.971 . 0 0 "[ . 1 . 2]" 4
15 2 21 GLN O 2 25 LEU H . . 2.000 1.960 1.812 2.021 0.021 7 0 "[ . 1 . 2]" 4
16 2 21 GLN O 2 25 LEU N . 2.700 3.000 2.892 2.760 2.979 . 0 0 "[ . 1 . 2]" 4
17 2 22 VAL O 2 26 GLU H . . 2.000 1.846 1.797 1.929 0.003 3 0 "[ . 1 . 2]" 4
18 2 22 VAL O 2 26 GLU N . 2.700 3.000 2.821 2.769 2.903 . 0 0 "[ . 1 . 2]" 4
19 2 23 ALA O 2 27 ALA H . . 2.000 2.043 2.000 2.066 0.066 20 0 "[ . 1 . 2]" 4
20 2 23 ALA O 2 27 ALA N . 2.700 3.000 2.795 2.748 2.846 . 0 0 "[ . 1 . 2]" 4
21 2 24 PHE O 2 28 LEU H . . 2.000 2.028 1.996 2.059 0.059 8 0 "[ . 1 . 2]" 4
22 2 24 PHE O 2 28 LEU N . 2.700 3.000 2.982 2.945 3.011 0.011 8 0 "[ . 1 . 2]" 4
23 2 25 LEU O 2 29 ALA H . . 2.500 2.170 2.018 2.322 . 0 0 "[ . 1 . 2]" 4
24 2 25 LEU O 2 29 ALA N . 2.700 3.500 3.035 2.902 3.156 . 0 0 "[ . 1 . 2]" 4
25 2 44 GLU O 2 47 GLN H . . 2.500 2.526 2.467 2.596 0.096 16 0 "[ . 1 . 2]" 4
26 2 44 GLU O 2 47 GLN N . 2.700 3.500 3.404 3.337 3.509 0.009 16 0 "[ . 1 . 2]" 4
27 2 14 ILE O 2 49 VAL H . . 2.000 1.887 1.782 2.004 0.018 1 0 "[ . 1 . 2]" 4
28 2 14 ILE O 2 49 VAL N . 2.700 3.000 2.790 2.734 2.883 . 0 0 "[ . 1 . 2]" 4
29 2 40 ASN OD1 2 50 VAL H . . 2.500 2.488 2.372 2.544 0.044 17 0 "[ . 1 . 2]" 4
30 2 40 ASN OD1 2 50 VAL N . 2.700 3.500 3.365 3.282 3.464 . 0 0 "[ . 1 . 2]" 4
31 2 12 PHE O 2 51 ILE H . . 2.000 1.967 1.798 2.038 0.038 6 0 "[ . 1 . 2]" 4
32 2 12 PHE O 2 51 ILE N . 2.700 3.000 2.783 2.727 2.912 . 0 0 "[ . 1 . 2]" 4
33 2 37 ASP O 2 52 LEU H . . 2.000 1.869 1.781 1.995 0.019 1 0 "[ . 1 . 2]" 4
34 2 37 ASP O 2 52 LEU N . 2.700 3.000 2.803 2.723 2.934 . 0 0 "[ . 1 . 2]" 4
35 2 10 THR O 2 53 ILE H . . 2.000 2.005 1.930 2.040 0.040 18 0 "[ . 1 . 2]" 4
36 2 10 THR O 2 53 ILE N . 2.700 3.000 2.850 2.790 2.907 . 0 0 "[ . 1 . 2]" 4
37 2 54 PRO O 2 57 MET H . . 2.000 2.016 1.957 2.036 0.036 15 0 "[ . 1 . 2]" 4
38 2 54 PRO O 2 57 MET N . 2.700 3.000 2.928 2.881 2.971 . 0 0 "[ . 1 . 2]" 4
39 2 58 VAL O 2 62 LEU H . . 2.000 1.913 1.806 2.042 0.042 13 0 "[ . 1 . 2]" 4
40 2 58 VAL O 2 62 LEU N . 2.700 3.000 2.799 2.719 2.949 . 0 0 "[ . 1 . 2]" 4
41 2 59 GLU O 2 63 GLU H . . 2.000 2.040 2.020 2.062 0.062 5 0 "[ . 1 . 2]" 4
42 2 59 GLU O 2 63 GLU N . 2.700 3.000 3.006 2.962 3.026 0.026 19 0 "[ . 1 . 2]" 4
43 2 60 TRP O 2 64 MET H . . 2.000 2.029 1.872 2.104 0.104 15 0 "[ . 1 . 2]" 4
44 2 60 TRP O 2 64 MET N . 2.700 3.000 2.891 2.770 3.009 0.009 19 0 "[ . 1 . 2]" 4
45 2 61 PHE O 2 65 LEU H . . 2.000 1.918 1.784 2.085 0.085 9 0 "[ . 1 . 2]" 4
46 2 61 PHE O 2 65 LEU N . 2.700 3.000 2.871 2.762 2.982 . 0 0 "[ . 1 . 2]" 4
47 2 62 LEU O 2 66 LYS H . . 2.000 2.005 1.837 2.060 0.060 9 0 "[ . 1 . 2]" 4
48 2 62 LEU O 2 66 LYS N . 2.700 3.000 2.927 2.742 3.024 0.024 3 0 "[ . 1 . 2]" 4
49 2 65 LEU O 2 70 ILE H . . 2.000 2.039 2.012 2.093 0.093 9 0 "[ . 1 . 2]" 4
50 2 65 LEU O 2 70 ILE N . 2.700 3.000 3.007 2.987 3.060 0.060 9 0 "[ . 1 . 2]" 4
stop_
save_