NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568965 |
2lt1   |
18194 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lt1
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 684
_Distance_constraint_stats_list.Viol_count 1076
_Distance_constraint_stats_list.Viol_total 1213.761
_Distance_constraint_stats_list.Viol_max 0.389
_Distance_constraint_stats_list.Viol_rms 0.0207
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0564
_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 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.470 0.115 14 0 "[ . 1 . 2]"
1 6 GLU 0.076 0.030 16 0 "[ . 1 . 2]"
1 8 SER 0.117 0.072 20 0 "[ . 1 . 2]"
1 9 ALA 0.909 0.210 7 0 "[ . 1 . 2]"
1 10 SER 2.960 0.389 11 0 "[ . 1 . 2]"
1 11 LEU 3.793 0.389 11 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 1.634 0.136 6 0 "[ . 1 . 2]"
1 14 ALA 0.497 0.074 4 0 "[ . 1 . 2]"
1 15 VAL 0.214 0.055 15 0 "[ . 1 . 2]"
1 16 GLY 0.008 0.008 6 0 "[ . 1 . 2]"
1 17 ASP 0.115 0.043 19 0 "[ . 1 . 2]"
1 18 ARG 1.080 0.110 4 0 "[ . 1 . 2]"
1 19 VAL 4.043 0.247 2 0 "[ . 1 . 2]"
1 20 VAL 0.502 0.074 6 0 "[ . 1 . 2]"
1 21 TYR 4.851 0.163 14 0 "[ . 1 . 2]"
1 22 PRO 1.888 0.144 18 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLN 0.597 0.107 6 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.422 0.077 6 0 "[ . 1 . 2]"
1 27 CYS 0.911 0.102 16 0 "[ . 1 . 2]"
1 28 ARG 1.304 0.102 16 0 "[ . 1 . 2]"
1 29 VAL 2.765 0.253 20 0 "[ . 1 . 2]"
1 30 SER 0.466 0.064 4 0 "[ . 1 . 2]"
1 31 ALA 0.437 0.103 5 0 "[ . 1 . 2]"
1 32 ILE 1.154 0.247 2 0 "[ . 1 . 2]"
1 33 ASP 0.028 0.027 6 0 "[ . 1 . 2]"
1 34 VAL 1.145 0.108 2 0 "[ . 1 . 2]"
1 35 LYS 3.869 0.105 8 0 "[ . 1 . 2]"
1 36 GLU 4.041 0.144 8 0 "[ . 1 . 2]"
1 37 VAL 8.778 0.272 11 0 "[ . 1 . 2]"
1 38 ALA 0.115 0.115 11 0 "[ . 1 . 2]"
1 39 GLY 4.278 0.272 11 0 "[ . 1 . 2]"
1 40 GLN 2.047 0.105 13 0 "[ . 1 . 2]"
1 41 LYS 0.355 0.073 8 0 "[ . 1 . 2]"
1 42 LEU 9.084 0.262 14 0 "[ . 1 . 2]"
1 43 THR 0.783 0.093 4 0 "[ . 1 . 2]"
1 44 PHE 6.446 0.208 7 0 "[ . 1 . 2]"
1 45 VAL 2.125 0.142 2 0 "[ . 1 . 2]"
1 46 THR 0.067 0.036 13 0 "[ . 1 . 2]"
1 47 MET 0.745 0.185 6 0 "[ . 1 . 2]"
1 48 ARG 0.366 0.103 5 0 "[ . 1 . 2]"
1 49 ARG 1.193 0.143 17 0 "[ . 1 . 2]"
1 50 GLU 0.016 0.016 11 0 "[ . 1 . 2]"
1 51 GLU 0.073 0.044 5 0 "[ . 1 . 2]"
1 52 ASP 0.073 0.044 5 0 "[ . 1 . 2]"
1 53 GLY 0.073 0.034 14 0 "[ . 1 . 2]"
1 54 ALA 1.043 0.143 17 0 "[ . 1 . 2]"
1 55 VAL 0.340 0.188 16 0 "[ . 1 . 2]"
1 56 VAL 2.452 0.253 20 0 "[ . 1 . 2]"
1 57 MET 1.451 0.145 5 0 "[ . 1 . 2]"
1 58 VAL 3.228 0.086 4 0 "[ . 1 . 2]"
1 59 PRO 1.834 0.081 19 0 "[ . 1 . 2]"
1 60 GLU 4.557 0.142 2 0 "[ . 1 . 2]"
1 61 GLY 2.244 0.126 5 0 "[ . 1 . 2]"
1 62 LYS 3.465 0.208 7 0 "[ . 1 . 2]"
1 63 VAL 3.071 0.096 18 0 "[ . 1 . 2]"
1 64 LEU 2.620 0.126 5 0 "[ . 1 . 2]"
1 65 ALA 0.024 0.020 11 0 "[ . 1 . 2]"
1 66 ILE 0.954 0.096 18 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.909 0.163 14 0 "[ . 1 . 2]"
1 69 ARG 1.550 0.130 3 0 "[ . 1 . 2]"
1 70 LYS 4.843 0.233 14 0 "[ . 1 . 2]"
1 71 VAL 2.046 0.224 5 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 1.800 0.130 3 0 "[ . 1 . 2]"
1 75 GLU 1.481 0.224 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 4 MET HA 1 4 MET QG . . 3.640 2.474 2.085 3.510 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET HA 1 5 PRO QD . . 2.460 2.201 2.171 2.251 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET QB 1 5 PRO QD . . 4.760 2.194 2.052 2.370 . 0 0 "[ . 1 . 2]" 1
4 1 5 PRO QB 1 18 ARG QD . . 4.260 3.251 2.190 4.299 0.039 15 0 "[ . 1 . 2]" 1
5 1 5 PRO QB 1 19 VAL H . . 5.340 3.927 3.009 4.902 . 0 0 "[ . 1 . 2]" 1
6 1 5 PRO QB 1 19 VAL QG . . 5.280 4.797 4.274 5.395 0.115 14 0 "[ . 1 . 2]" 1
7 1 5 PRO QB 1 20 VAL H . . 4.690 4.603 4.389 4.740 0.050 11 0 "[ . 1 . 2]" 1
8 1 5 PRO QB 1 20 VAL HA . . 5.290 4.800 4.172 5.322 0.032 11 0 "[ . 1 . 2]" 1
9 1 5 PRO HB2 1 20 VAL H . . 5.500 5.115 4.770 5.522 0.022 14 0 "[ . 1 . 2]" 1
10 1 5 PRO HB3 1 20 VAL H . . 5.500 5.269 4.872 5.540 0.040 6 0 "[ . 1 . 2]" 1
11 1 5 PRO QD 1 26 VAL HB . . 5.350 4.048 2.609 5.002 . 0 0 "[ . 1 . 2]" 1
12 1 5 PRO QG 1 20 VAL H . . 5.180 4.815 4.113 5.198 0.018 15 0 "[ . 1 . 2]" 1
13 1 5 PRO QG 1 26 VAL QG . . 5.280 2.757 2.114 4.239 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLU HA 1 6 GLU QG . . 3.360 2.601 2.145 3.390 0.030 16 0 "[ . 1 . 2]" 1
15 1 8 SER QB 1 9 ALA H . . 3.760 3.153 1.989 3.832 0.072 20 0 "[ . 1 . 2]" 1
16 1 9 ALA H 1 9 ALA MB . . 3.230 2.562 2.176 2.885 . 0 0 "[ . 1 . 2]" 1
17 1 9 ALA MB 1 11 LEU QD . . 5.440 4.618 2.002 5.650 0.210 7 0 "[ . 1 . 2]" 1
18 1 10 SER HA 1 11 LEU H . . 3.510 2.494 2.177 3.552 0.042 11 0 "[ . 1 . 2]" 1
19 1 10 SER HA 1 11 LEU QD . . 3.550 3.478 2.948 3.939 0.389 11 0 "[ . 1 . 2]" 1
20 1 10 SER QB 1 11 LEU QD . . 4.250 4.006 2.466 4.474 0.224 2 0 "[ . 1 . 2]" 1
21 1 11 LEU H 1 11 LEU QB . . 3.510 2.478 2.232 2.798 . 0 0 "[ . 1 . 2]" 1
22 1 11 LEU H 1 11 LEU MD1 . . 4.690 3.517 2.040 4.325 . 0 0 "[ . 1 . 2]" 1
23 1 11 LEU H 1 11 LEU QD . . 4.050 2.798 2.035 3.509 . 0 0 "[ . 1 . 2]" 1
24 1 11 LEU H 1 11 LEU MD2 . . 4.690 3.506 2.338 4.692 0.002 13 0 "[ . 1 . 2]" 1
25 1 11 LEU H 1 11 LEU HG . . 5.500 3.631 2.280 4.532 . 0 0 "[ . 1 . 2]" 1
26 1 11 LEU HA 1 11 LEU MD1 . . 3.840 3.050 2.141 3.852 0.012 11 0 "[ . 1 . 2]" 1
27 1 11 LEU HA 1 11 LEU QD . . 3.100 2.430 2.066 3.124 0.024 5 0 "[ . 1 . 2]" 1
28 1 11 LEU HA 1 11 LEU MD2 . . 3.840 2.867 2.192 3.794 . 0 0 "[ . 1 . 2]" 1
29 1 11 LEU QB 1 11 LEU QD . . 2.610 1.990 1.907 2.087 . 0 0 "[ . 1 . 2]" 1
30 1 12 GLN H 1 12 GLN HB2 . . 3.980 2.389 2.076 3.100 . 0 0 "[ . 1 . 2]" 1
31 1 12 GLN H 1 12 GLN QB . . 3.250 2.320 2.059 2.847 . 0 0 "[ . 1 . 2]" 1
32 1 12 GLN H 1 12 GLN HB3 . . 3.980 3.363 2.784 3.829 . 0 0 "[ . 1 . 2]" 1
33 1 12 GLN H 1 12 GLN QG . . 4.360 3.386 2.132 4.265 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLN HA 1 12 GLN QG . . 2.790 2.259 2.082 2.579 . 0 0 "[ . 1 . 2]" 1
35 1 12 GLN HA 1 13 LEU H . . 3.500 2.337 2.129 2.584 . 0 0 "[ . 1 . 2]" 1
36 1 13 LEU H 1 13 LEU HB2 . . 3.540 2.350 2.168 2.795 . 0 0 "[ . 1 . 2]" 1
37 1 13 LEU H 1 13 LEU QB . . 3.050 2.223 2.111 2.496 . 0 0 "[ . 1 . 2]" 1
38 1 13 LEU H 1 13 LEU HB3 . . 3.540 2.888 2.480 3.529 . 0 0 "[ . 1 . 2]" 1
39 1 13 LEU H 1 13 LEU MD1 . . 5.500 4.232 3.789 4.369 . 0 0 "[ . 1 . 2]" 1
40 1 13 LEU H 1 13 LEU MD2 . . 5.500 3.860 2.573 4.567 . 0 0 "[ . 1 . 2]" 1
41 1 13 LEU HA 1 13 LEU QD . . 3.220 2.194 1.969 3.018 . 0 0 "[ . 1 . 2]" 1
42 1 13 LEU HA 1 14 ALA H . . 2.960 2.194 2.058 2.401 . 0 0 "[ . 1 . 2]" 1
43 1 13 LEU QB 1 13 LEU QD . . 2.770 2.011 1.886 2.117 . 0 0 "[ . 1 . 2]" 1
44 1 13 LEU QB 1 14 ALA H . . 3.720 3.511 2.440 3.794 0.074 4 0 "[ . 1 . 2]" 1
45 1 13 LEU QB 1 29 VAL MG2 . . 5.340 4.246 2.472 4.881 . 0 0 "[ . 1 . 2]" 1
46 1 13 LEU QB 1 32 ILE MD . . 5.340 3.358 2.369 4.139 . 0 0 "[ . 1 . 2]" 1
47 1 13 LEU QB 1 70 LYS QB . . 5.180 4.715 4.050 5.262 0.082 5 0 "[ . 1 . 2]" 1
48 1 13 LEU QD 1 14 ALA H . . 3.670 2.471 2.052 3.219 . 0 0 "[ . 1 . 2]" 1
49 1 13 LEU QD 1 17 ASP HB3 . . 4.250 2.190 1.955 2.576 . 0 0 "[ . 1 . 2]" 1
50 1 13 LEU QD 1 19 VAL HA . . 4.000 3.932 3.558 4.136 0.136 6 0 "[ . 1 . 2]" 1
51 1 13 LEU QD 1 19 VAL QG . . 5.370 2.413 1.833 3.793 . 0 0 "[ . 1 . 2]" 1
52 1 13 LEU QD 1 29 VAL MG1 . . 5.440 2.860 2.238 3.855 . 0 0 "[ . 1 . 2]" 1
53 1 13 LEU QD 1 32 ILE MD . . 5.440 2.606 1.911 4.019 . 0 0 "[ . 1 . 2]" 1
54 1 13 LEU QD 1 70 LYS QB . . 5.280 2.783 2.154 3.617 . 0 0 "[ . 1 . 2]" 1
55 1 13 LEU QD 1 70 LYS QG . . 5.280 3.566 1.837 4.704 . 0 0 "[ . 1 . 2]" 1
56 1 13 LEU QD 1 71 VAL HA . . 5.440 2.376 1.934 3.521 . 0 0 "[ . 1 . 2]" 1
57 1 13 LEU MD1 1 14 ALA H . . 4.210 2.856 2.083 4.237 0.027 15 0 "[ . 1 . 2]" 1
58 1 13 LEU MD1 1 19 VAL HB . . 5.500 4.402 2.696 5.456 . 0 0 "[ . 1 . 2]" 1
59 1 13 LEU MD2 1 14 ALA H . . 4.210 3.215 2.190 4.245 0.035 12 0 "[ . 1 . 2]" 1
60 1 13 LEU MD2 1 19 VAL HB . . 5.500 4.435 3.228 5.624 0.124 1 0 "[ . 1 . 2]" 1
61 1 13 LEU HG 1 29 VAL MG2 . . 5.500 3.822 3.055 4.813 . 0 0 "[ . 1 . 2]" 1
62 1 13 LEU HG 1 70 LYS QB . . 5.340 4.097 3.198 5.402 0.062 14 0 "[ . 1 . 2]" 1
63 1 13 LEU HG 1 70 LYS QE . . 5.500 3.440 1.831 5.575 0.075 15 0 "[ . 1 . 2]" 1
64 1 14 ALA H 1 14 ALA MB . . 3.110 2.597 2.472 2.702 . 0 0 "[ . 1 . 2]" 1
65 1 14 ALA H 1 17 ASP HB2 . . 4.160 2.467 2.231 2.765 . 0 0 "[ . 1 . 2]" 1
66 1 14 ALA H 1 17 ASP HB3 . . 3.730 3.044 2.523 3.726 . 0 0 "[ . 1 . 2]" 1
67 1 14 ALA HA 1 15 VAL H . . 3.020 2.488 2.339 2.580 . 0 0 "[ . 1 . 2]" 1
68 1 14 ALA HA 1 15 VAL HA . . 4.430 4.381 4.341 4.402 . 0 0 "[ . 1 . 2]" 1
69 1 14 ALA HA 1 32 ILE MD . . 3.750 2.807 2.307 3.533 . 0 0 "[ . 1 . 2]" 1
70 1 14 ALA MB 1 15 VAL H . . 3.220 2.296 2.185 2.582 . 0 0 "[ . 1 . 2]" 1
71 1 14 ALA MB 1 15 VAL HA . . 4.570 4.393 4.348 4.456 . 0 0 "[ . 1 . 2]" 1
72 1 14 ALA MB 1 15 VAL HB . . 4.130 4.068 3.962 4.185 0.055 15 0 "[ . 1 . 2]" 1
73 1 14 ALA MB 1 17 ASP H . . 5.040 4.188 3.806 4.308 . 0 0 "[ . 1 . 2]" 1
74 1 14 ALA MB 1 17 ASP HB2 . . 3.500 3.366 2.608 3.509 0.009 9 0 "[ . 1 . 2]" 1
75 1 14 ALA MB 1 32 ILE MD . . 5.500 4.077 3.573 4.675 . 0 0 "[ . 1 . 2]" 1
76 1 15 VAL H 1 15 VAL HB . . 3.120 2.569 2.485 2.663 . 0 0 "[ . 1 . 2]" 1
77 1 15 VAL H 1 15 VAL MG1 . . 4.080 3.813 3.803 3.823 . 0 0 "[ . 1 . 2]" 1
78 1 15 VAL H 1 15 VAL MG2 . . 3.120 2.170 2.081 2.310 . 0 0 "[ . 1 . 2]" 1
79 1 15 VAL H 1 32 ILE MD . . 3.880 3.597 2.941 3.915 0.035 13 0 "[ . 1 . 2]" 1
80 1 15 VAL HA 1 15 VAL MG1 . . 3.160 2.374 2.320 2.446 . 0 0 "[ . 1 . 2]" 1
81 1 15 VAL HA 1 15 VAL MG2 . . 2.780 2.368 2.308 2.469 . 0 0 "[ . 1 . 2]" 1
82 1 15 VAL HA 1 16 GLY H . . 3.010 2.151 2.126 2.193 . 0 0 "[ . 1 . 2]" 1
83 1 15 VAL HA 1 17 ASP H . . 3.720 3.482 3.427 3.529 . 0 0 "[ . 1 . 2]" 1
84 1 15 VAL HA 1 29 VAL HB . . 3.310 2.988 2.268 3.328 0.018 5 0 "[ . 1 . 2]" 1
85 1 15 VAL HA 1 29 VAL MG1 . . 2.980 2.171 2.008 2.536 . 0 0 "[ . 1 . 2]" 1
86 1 15 VAL HA 1 29 VAL MG2 . . 5.430 4.038 3.686 4.438 . 0 0 "[ . 1 . 2]" 1
87 1 15 VAL HA 1 32 ILE MD . . 4.080 3.759 2.855 4.093 0.013 12 0 "[ . 1 . 2]" 1
88 1 15 VAL HB 1 16 GLY H . . 5.500 4.170 4.074 4.243 . 0 0 "[ . 1 . 2]" 1
89 1 15 VAL HB 1 32 ILE MD . . 5.500 5.233 4.613 5.507 0.007 6 0 "[ . 1 . 2]" 1
90 1 15 VAL MG1 1 16 GLY H . . 3.210 2.578 2.470 2.684 . 0 0 "[ . 1 . 2]" 1
91 1 15 VAL MG1 1 30 SER HA . . 3.980 3.255 2.398 4.008 0.028 8 0 "[ . 1 . 2]" 1
92 1 15 VAL MG2 1 16 GLY H . . 4.270 3.980 3.904 4.069 . 0 0 "[ . 1 . 2]" 1
93 1 15 VAL MG2 1 29 VAL HB . . 5.500 4.696 3.975 5.075 . 0 0 "[ . 1 . 2]" 1
94 1 15 VAL MG2 1 30 SER HA . . 5.500 4.793 3.852 5.439 . 0 0 "[ . 1 . 2]" 1
95 1 15 VAL MG2 1 31 ALA HA . . 3.420 2.667 2.180 3.214 . 0 0 "[ . 1 . 2]" 1
96 1 15 VAL MG2 1 32 ILE H . . 3.980 3.583 2.777 3.978 . 0 0 "[ . 1 . 2]" 1
97 1 15 VAL MG2 1 32 ILE HB . . 5.500 3.781 3.088 4.372 . 0 0 "[ . 1 . 2]" 1
98 1 16 GLY H 1 17 ASP H . . 3.050 2.733 2.614 2.896 . 0 0 "[ . 1 . 2]" 1
99 1 16 GLY H 1 29 VAL HB . . 3.550 2.299 2.112 2.925 . 0 0 "[ . 1 . 2]" 1
100 1 16 GLY H 1 29 VAL MG1 . . 3.580 2.922 2.533 3.588 0.008 6 0 "[ . 1 . 2]" 1
101 1 17 ASP H 1 17 ASP HB2 . . 3.610 2.283 2.175 2.389 . 0 0 "[ . 1 . 2]" 1
102 1 17 ASP H 1 17 ASP HB3 . . 3.780 2.802 2.597 3.096 . 0 0 "[ . 1 . 2]" 1
103 1 17 ASP H 1 29 VAL HB . . 3.750 2.790 2.388 3.255 . 0 0 "[ . 1 . 2]" 1
104 1 17 ASP H 1 29 VAL MG1 . . 4.520 3.717 3.337 4.354 . 0 0 "[ . 1 . 2]" 1
105 1 17 ASP H 1 29 VAL MG2 . . 3.560 3.266 2.812 3.603 0.043 19 0 "[ . 1 . 2]" 1
106 1 17 ASP HA 1 18 ARG H . . 3.180 2.501 2.252 2.649 . 0 0 "[ . 1 . 2]" 1
107 1 17 ASP HB2 1 18 ARG H . . 4.600 3.898 3.761 4.094 . 0 0 "[ . 1 . 2]" 1
108 1 17 ASP HB3 1 18 ARG H . . 3.620 3.097 2.797 3.632 0.012 15 0 "[ . 1 . 2]" 1
109 1 18 ARG H 1 18 ARG QB . . 3.630 2.329 2.170 2.506 . 0 0 "[ . 1 . 2]" 1
110 1 18 ARG HA 1 18 ARG QG . . 3.920 2.472 2.169 2.744 . 0 0 "[ . 1 . 2]" 1
111 1 18 ARG HA 1 19 VAL H . . 3.460 2.205 2.072 2.336 . 0 0 "[ . 1 . 2]" 1
112 1 18 ARG HA 1 28 ARG HA . . 3.610 3.396 2.441 3.687 0.077 7 0 "[ . 1 . 2]" 1
113 1 18 ARG HA 1 29 VAL H . . 4.070 3.958 3.559 4.180 0.110 4 0 "[ . 1 . 2]" 1
114 1 18 ARG QB 1 18 ARG QD . . 2.610 2.253 2.103 2.613 0.003 2 0 "[ . 1 . 2]" 1
115 1 18 ARG QD 1 28 ARG HA . . 5.030 3.977 3.104 4.917 . 0 0 "[ . 1 . 2]" 1
116 1 18 ARG QG 1 28 ARG HA . . 4.920 4.702 3.877 5.011 0.091 14 0 "[ . 1 . 2]" 1
117 1 19 VAL H 1 19 VAL MG1 . . 4.560 2.889 2.270 3.352 . 0 0 "[ . 1 . 2]" 1
118 1 19 VAL H 1 19 VAL QG . . 3.370 2.344 2.141 2.537 . 0 0 "[ . 1 . 2]" 1
119 1 19 VAL H 1 19 VAL MG2 . . 4.560 2.860 2.189 4.024 . 0 0 "[ . 1 . 2]" 1
120 1 19 VAL H 1 26 VAL HA . . 5.200 4.836 4.009 5.077 . 0 0 "[ . 1 . 2]" 1
121 1 19 VAL H 1 26 VAL QG . . 5.440 3.973 2.852 5.027 . 0 0 "[ . 1 . 2]" 1
122 1 19 VAL H 1 27 CYS H . . 3.520 3.403 2.742 3.587 0.067 8 0 "[ . 1 . 2]" 1
123 1 19 VAL HA 1 70 LYS HA . . 3.240 3.079 2.628 3.298 0.058 17 0 "[ . 1 . 2]" 1
124 1 19 VAL HA 1 70 LYS QB . . 5.340 3.297 2.085 3.851 . 0 0 "[ . 1 . 2]" 1
125 1 19 VAL HB 1 20 VAL H . . 5.500 3.273 2.498 4.192 . 0 0 "[ . 1 . 2]" 1
126 1 19 VAL QG 1 20 VAL H . . 4.030 3.141 2.029 3.630 . 0 0 "[ . 1 . 2]" 1
127 1 19 VAL QG 1 21 TYR QD . . 5.280 3.802 2.870 4.780 . 0 0 "[ . 1 . 2]" 1
128 1 19 VAL QG 1 21 TYR QE . . 5.440 4.073 2.515 5.126 . 0 0 "[ . 1 . 2]" 1
129 1 19 VAL QG 1 26 VAL HA . . 4.420 4.129 3.492 4.497 0.077 6 0 "[ . 1 . 2]" 1
130 1 19 VAL QG 1 27 CYS H . . 4.620 2.687 2.014 3.111 . 0 0 "[ . 1 . 2]" 1
131 1 19 VAL QG 1 27 CYS HB2 . . 3.120 1.994 1.949 2.053 . 0 0 "[ . 1 . 2]" 1
132 1 19 VAL QG 1 32 ILE MD . . 5.440 5.101 4.620 5.687 0.247 2 0 "[ . 1 . 2]" 1
133 1 19 VAL QG 1 68 VAL QG . . 5.440 4.510 3.003 5.513 0.073 19 0 "[ . 1 . 2]" 1
134 1 19 VAL QG 1 70 LYS HA . . 3.050 3.105 2.784 3.283 0.233 14 0 "[ . 1 . 2]" 1
135 1 19 VAL QG 1 70 LYS QB . . 4.300 2.020 1.922 2.120 . 0 0 "[ . 1 . 2]" 1
136 1 19 VAL QG 1 71 VAL H . . 4.750 3.783 2.766 4.744 . 0 0 "[ . 1 . 2]" 1
137 1 19 VAL MG1 1 20 VAL H . . 5.410 3.992 3.676 4.278 . 0 0 "[ . 1 . 2]" 1
138 1 19 VAL MG2 1 20 VAL H . . 5.410 3.411 2.035 4.098 . 0 0 "[ . 1 . 2]" 1
139 1 20 VAL H 1 20 VAL MG1 . . 4.070 2.361 2.189 2.824 . 0 0 "[ . 1 . 2]" 1
140 1 20 VAL H 1 20 VAL QG . . 3.560 2.325 2.177 2.426 . 0 0 "[ . 1 . 2]" 1
141 1 20 VAL H 1 20 VAL MG2 . . 4.070 3.895 2.602 4.043 . 0 0 "[ . 1 . 2]" 1
142 1 20 VAL HA 1 20 VAL MG1 . . 3.750 3.216 2.510 3.271 . 0 0 "[ . 1 . 2]" 1
143 1 20 VAL HA 1 20 VAL MG2 . . 3.750 2.433 2.250 3.241 . 0 0 "[ . 1 . 2]" 1
144 1 20 VAL HA 1 21 TYR H . . 3.340 2.245 2.107 2.394 . 0 0 "[ . 1 . 2]" 1
145 1 20 VAL HA 1 26 VAL HA . . 3.390 2.268 2.152 2.516 . 0 0 "[ . 1 . 2]" 1
146 1 20 VAL HA 1 26 VAL QG . . 3.850 3.277 2.619 3.765 . 0 0 "[ . 1 . 2]" 1
147 1 20 VAL HA 1 27 CYS H . . 4.310 3.342 3.019 3.737 . 0 0 "[ . 1 . 2]" 1
148 1 20 VAL HB 1 26 VAL HA . . 3.950 3.193 2.529 4.024 0.074 6 0 "[ . 1 . 2]" 1
149 1 20 VAL QG 1 21 TYR H . . 4.080 2.321 1.955 3.076 . 0 0 "[ . 1 . 2]" 1
150 1 20 VAL QG 1 25 GLY QA . . 4.980 3.486 2.708 4.507 . 0 0 "[ . 1 . 2]" 1
151 1 20 VAL QG 1 26 VAL HA . . 5.440 2.874 2.125 3.616 . 0 0 "[ . 1 . 2]" 1
152 1 20 VAL QG 1 26 VAL QG . . 4.540 2.520 2.024 3.283 . 0 0 "[ . 1 . 2]" 1
153 1 20 VAL MG1 1 21 TYR H . . 5.500 3.801 3.186 4.236 . 0 0 "[ . 1 . 2]" 1
154 1 20 VAL MG2 1 21 TYR H . . 5.500 2.346 1.973 3.213 . 0 0 "[ . 1 . 2]" 1
155 1 21 TYR H 1 21 TYR QB . . 3.690 2.211 2.056 2.521 . 0 0 "[ . 1 . 2]" 1
156 1 21 TYR HA 1 21 TYR QD . . 4.130 2.585 2.136 3.114 . 0 0 "[ . 1 . 2]" 1
157 1 21 TYR HA 1 22 PRO HD2 . . 2.550 2.565 2.460 2.634 0.084 8 0 "[ . 1 . 2]" 1
158 1 21 TYR HA 1 22 PRO HD3 . . 3.590 2.382 2.311 2.494 . 0 0 "[ . 1 . 2]" 1
159 1 21 TYR HA 1 68 VAL HA . . 3.900 3.847 3.742 3.936 0.036 17 0 "[ . 1 . 2]" 1
160 1 21 TYR HA 1 68 VAL QG . . 3.940 2.779 2.006 3.749 . 0 0 "[ . 1 . 2]" 1
161 1 21 TYR QD 1 22 PRO HD2 . . 4.240 2.666 2.139 2.877 . 0 0 "[ . 1 . 2]" 1
162 1 21 TYR QD 1 24 GLN QB . . 4.210 2.241 2.073 2.888 . 0 0 "[ . 1 . 2]" 1
163 1 21 TYR QD 1 24 GLN HG2 . . 4.180 3.638 2.572 4.245 0.065 1 0 "[ . 1 . 2]" 1
164 1 21 TYR QD 1 24 GLN QG . . 3.560 2.915 2.418 3.382 . 0 0 "[ . 1 . 2]" 1
165 1 21 TYR QD 1 24 GLN HG3 . . 4.180 3.394 2.608 4.287 0.107 6 0 "[ . 1 . 2]" 1
166 1 21 TYR QD 1 56 VAL MG1 . . 5.500 4.435 3.207 5.089 . 0 0 "[ . 1 . 2]" 1
167 1 21 TYR QD 1 56 VAL QG . . 4.700 3.739 3.135 4.283 . 0 0 "[ . 1 . 2]" 1
168 1 21 TYR QD 1 56 VAL MG2 . . 5.500 4.234 3.515 5.086 . 0 0 "[ . 1 . 2]" 1
169 1 21 TYR QD 1 58 VAL MG1 . . 4.630 4.341 3.814 4.629 . 0 0 "[ . 1 . 2]" 1
170 1 21 TYR QD 1 68 VAL HB . . 4.710 3.850 2.243 4.873 0.163 14 0 "[ . 1 . 2]" 1
171 1 21 TYR QD 1 68 VAL QG . . 3.840 2.571 2.091 2.929 . 0 0 "[ . 1 . 2]" 1
172 1 21 TYR QD 1 70 LYS QB . . 4.890 4.679 4.325 4.917 0.027 16 0 "[ . 1 . 2]" 1
173 1 21 TYR QE 1 22 PRO HD2 . . 4.190 4.225 3.894 4.334 0.144 18 0 "[ . 1 . 2]" 1
174 1 21 TYR QE 1 22 PRO HD3 . . 5.500 5.123 4.885 5.323 . 0 0 "[ . 1 . 2]" 1
175 1 21 TYR QE 1 22 PRO QG . . 5.350 5.075 4.538 5.389 0.039 13 0 "[ . 1 . 2]" 1
176 1 21 TYR QE 1 24 GLN QG . . 3.830 3.689 3.420 3.884 0.054 13 0 "[ . 1 . 2]" 1
177 1 21 TYR QE 1 56 VAL MG1 . . 4.990 3.670 2.073 4.532 . 0 0 "[ . 1 . 2]" 1
178 1 21 TYR QE 1 56 VAL QG . . 4.130 2.788 1.983 3.603 . 0 0 "[ . 1 . 2]" 1
179 1 21 TYR QE 1 56 VAL MG2 . . 4.990 3.326 2.527 4.795 . 0 0 "[ . 1 . 2]" 1
180 1 21 TYR QE 1 58 VAL HB . . 4.820 4.749 4.039 4.906 0.086 4 0 "[ . 1 . 2]" 1
181 1 21 TYR QE 1 58 VAL MG1 . . 3.880 2.402 2.118 2.624 . 0 0 "[ . 1 . 2]" 1
182 1 21 TYR QE 1 58 VAL MG2 . . 3.350 3.287 2.326 3.412 0.062 4 0 "[ . 1 . 2]" 1
183 1 21 TYR QE 1 68 VAL QG . . 5.500 2.494 2.163 2.659 . 0 0 "[ . 1 . 2]" 1
184 1 21 TYR QE 1 70 LYS QB . . 4.980 4.734 3.455 5.081 0.101 2 0 "[ . 1 . 2]" 1
185 1 22 PRO HA 1 68 VAL QG . . 5.390 5.038 4.554 5.298 . 0 0 "[ . 1 . 2]" 1
186 1 22 PRO HD2 1 68 VAL QG . . 3.670 2.222 2.012 3.196 . 0 0 "[ . 1 . 2]" 1
187 1 22 PRO HD3 1 68 VAL QG . . 3.530 2.360 2.078 2.726 . 0 0 "[ . 1 . 2]" 1
188 1 23 ASN QB 1 23 ASN QD . . 2.930 2.271 2.131 2.536 . 0 0 "[ . 1 . 2]" 1
189 1 24 GLN H 1 24 GLN QB . . 3.640 2.669 1.995 2.868 . 0 0 "[ . 1 . 2]" 1
190 1 24 GLN H 1 24 GLN QG . . 4.590 4.081 2.201 4.478 . 0 0 "[ . 1 . 2]" 1
191 1 24 GLN H 1 25 GLY H . . 3.370 2.546 1.972 3.109 . 0 0 "[ . 1 . 2]" 1
192 1 26 VAL H 1 26 VAL MG1 . . 4.780 2.765 2.008 3.870 . 0 0 "[ . 1 . 2]" 1
193 1 26 VAL H 1 26 VAL QG . . 3.720 2.100 1.924 2.402 . 0 0 "[ . 1 . 2]" 1
194 1 26 VAL H 1 26 VAL MG2 . . 4.780 2.610 1.990 3.929 . 0 0 "[ . 1 . 2]" 1
195 1 26 VAL HA 1 26 VAL MG1 . . 3.480 2.588 2.211 3.278 . 0 0 "[ . 1 . 2]" 1
196 1 26 VAL HA 1 26 VAL QG . . 2.980 2.274 2.127 2.388 . 0 0 "[ . 1 . 2]" 1
197 1 26 VAL HA 1 26 VAL MG2 . . 3.480 2.855 2.343 3.286 . 0 0 "[ . 1 . 2]" 1
198 1 26 VAL HA 1 27 CYS H . . 3.480 2.220 2.161 2.291 . 0 0 "[ . 1 . 2]" 1
199 1 26 VAL MG1 1 27 CYS H . . 4.110 3.456 2.318 3.980 . 0 0 "[ . 1 . 2]" 1
200 1 26 VAL MG2 1 27 CYS H . . 4.110 3.465 2.249 4.073 . 0 0 "[ . 1 . 2]" 1
201 1 27 CYS H 1 27 CYS HB2 . . 3.180 2.859 2.600 3.068 . 0 0 "[ . 1 . 2]" 1
202 1 27 CYS HA 1 27 CYS HB3 . . 2.860 2.438 2.351 2.651 . 0 0 "[ . 1 . 2]" 1
203 1 27 CYS HA 1 49 ARG HA . . 3.210 3.081 2.788 3.274 0.064 20 0 "[ . 1 . 2]" 1
204 1 27 CYS HB2 1 28 ARG H . . 3.970 3.277 3.006 3.700 . 0 0 "[ . 1 . 2]" 1
205 1 27 CYS HB3 1 28 ARG H . . 3.820 2.277 2.123 2.431 . 0 0 "[ . 1 . 2]" 1
206 1 27 CYS HB3 1 28 ARG HA . . 4.710 4.689 4.484 4.812 0.102 16 0 "[ . 1 . 2]" 1
207 1 27 CYS HB3 1 47 MET QB . . 5.340 2.563 2.149 2.879 . 0 0 "[ . 1 . 2]" 1
208 1 27 CYS HB3 1 49 ARG QG . . 5.500 3.660 2.327 5.280 . 0 0 "[ . 1 . 2]" 1
209 1 28 ARG H 1 28 ARG QG . . 5.030 4.130 3.592 4.275 . 0 0 "[ . 1 . 2]" 1
210 1 28 ARG HA 1 28 ARG QD . . 3.860 3.287 2.210 3.898 0.038 6 0 "[ . 1 . 2]" 1
211 1 28 ARG HA 1 28 ARG QG . . 3.090 2.278 2.097 2.518 . 0 0 "[ . 1 . 2]" 1
212 1 28 ARG HA 1 29 VAL H . . 3.060 2.138 2.084 2.199 . 0 0 "[ . 1 . 2]" 1
213 1 28 ARG HA 1 29 VAL MG2 . . 4.520 3.624 3.504 3.768 . 0 0 "[ . 1 . 2]" 1
214 1 28 ARG QB 1 28 ARG QD . . 2.560 2.193 2.052 2.603 0.043 12 0 "[ . 1 . 2]" 1
215 1 28 ARG QB 1 50 GLU QG . . 5.340 4.056 2.737 5.193 . 0 0 "[ . 1 . 2]" 1
216 1 28 ARG QG 1 29 VAL H . . 4.660 3.153 2.626 4.214 . 0 0 "[ . 1 . 2]" 1
217 1 29 VAL H 1 29 VAL HB . . 3.360 2.605 2.526 2.673 . 0 0 "[ . 1 . 2]" 1
218 1 29 VAL H 1 29 VAL MG1 . . 4.050 3.824 3.807 3.845 . 0 0 "[ . 1 . 2]" 1
219 1 29 VAL H 1 29 VAL MG2 . . 3.260 2.152 2.030 2.292 . 0 0 "[ . 1 . 2]" 1
220 1 29 VAL HA 1 29 VAL MG1 . . 3.050 2.367 2.318 2.423 . 0 0 "[ . 1 . 2]" 1
221 1 29 VAL HA 1 29 VAL MG2 . . 3.150 2.440 2.307 2.509 . 0 0 "[ . 1 . 2]" 1
222 1 29 VAL HA 1 30 SER H . . 3.480 2.136 2.068 2.210 . 0 0 "[ . 1 . 2]" 1
223 1 29 VAL HA 1 31 ALA H . . 4.180 4.067 3.751 4.199 0.019 14 0 "[ . 1 . 2]" 1
224 1 29 VAL HA 1 32 ILE HG13 . . 5.500 5.492 5.205 5.585 0.085 4 0 "[ . 1 . 2]" 1
225 1 29 VAL HA 1 47 MET H . . 5.400 4.833 4.475 5.243 . 0 0 "[ . 1 . 2]" 1
226 1 29 VAL HA 1 47 MET HA . . 3.390 2.622 2.062 3.400 0.010 6 0 "[ . 1 . 2]" 1
227 1 29 VAL HA 1 47 MET QG . . 3.750 2.239 1.956 3.935 0.185 6 0 "[ . 1 . 2]" 1
228 1 29 VAL HA 1 48 ARG H . . 5.090 4.093 3.512 4.840 . 0 0 "[ . 1 . 2]" 1
229 1 29 VAL HB 1 30 SER H . . 4.390 4.175 3.997 4.307 . 0 0 "[ . 1 . 2]" 1
230 1 29 VAL MG1 1 30 SER H . . 3.790 2.674 2.377 2.914 . 0 0 "[ . 1 . 2]" 1
231 1 29 VAL MG1 1 31 ALA H . . 4.110 3.145 2.872 3.410 . 0 0 "[ . 1 . 2]" 1
232 1 29 VAL MG1 1 32 ILE HG12 . . 5.500 3.022 2.592 3.310 . 0 0 "[ . 1 . 2]" 1
233 1 29 VAL MG1 1 45 VAL HB . . 5.500 3.500 3.084 3.920 . 0 0 "[ . 1 . 2]" 1
234 1 29 VAL MG1 1 45 VAL MG1 . . 5.500 3.756 3.270 4.287 . 0 0 "[ . 1 . 2]" 1
235 1 29 VAL MG1 1 46 THR H . . 4.400 3.587 3.084 3.886 . 0 0 "[ . 1 . 2]" 1
236 1 29 VAL MG2 1 30 SER H . . 4.060 4.065 3.974 4.124 0.064 4 0 "[ . 1 . 2]" 1
237 1 29 VAL MG2 1 31 ALA H . . 5.380 5.263 5.053 5.390 0.010 17 0 "[ . 1 . 2]" 1
238 1 29 VAL MG2 1 47 MET QG . . 4.120 2.406 2.019 4.098 . 0 0 "[ . 1 . 2]" 1
239 1 29 VAL MG2 1 56 VAL QG . . 5.440 5.359 4.947 5.693 0.253 20 0 "[ . 1 . 2]" 1
240 1 30 SER H 1 30 SER QB . . 3.070 2.506 2.289 2.854 . 0 0 "[ . 1 . 2]" 1
241 1 30 SER H 1 31 ALA H . . 3.710 2.188 2.051 2.272 . 0 0 "[ . 1 . 2]" 1
242 1 30 SER H 1 47 MET HA . . 3.330 2.389 2.183 2.720 . 0 0 "[ . 1 . 2]" 1
243 1 30 SER H 1 47 MET QG . . 4.970 3.346 2.851 4.986 0.016 4 0 "[ . 1 . 2]" 1
244 1 30 SER QB 1 46 THR MG . . 4.410 3.868 3.220 4.441 0.031 13 0 "[ . 1 . 2]" 1
245 1 31 ALA H 1 46 THR H . . 3.760 3.579 3.164 3.711 . 0 0 "[ . 1 . 2]" 1
246 1 31 ALA H 1 46 THR MG . . 4.750 4.047 3.641 4.341 . 0 0 "[ . 1 . 2]" 1
247 1 31 ALA HA 1 32 ILE H . . 2.830 2.436 2.357 2.534 . 0 0 "[ . 1 . 2]" 1
248 1 31 ALA MB 1 32 ILE H . . 3.780 2.483 2.299 2.705 . 0 0 "[ . 1 . 2]" 1
249 1 31 ALA MB 1 46 THR HB . . 3.100 2.712 2.240 3.005 . 0 0 "[ . 1 . 2]" 1
250 1 31 ALA MB 1 48 ARG QD . . 5.340 5.131 4.211 5.443 0.103 5 0 "[ . 1 . 2]" 1
251 1 32 ILE H 1 32 ILE HB . . 3.110 2.922 2.849 3.014 . 0 0 "[ . 1 . 2]" 1
252 1 32 ILE H 1 32 ILE MD . . 5.010 4.390 4.290 4.539 . 0 0 "[ . 1 . 2]" 1
253 1 32 ILE H 1 32 ILE HG13 . . 3.320 3.220 3.115 3.330 0.010 19 0 "[ . 1 . 2]" 1
254 1 32 ILE H 1 32 ILE MG . . 4.000 3.970 3.942 4.001 0.001 16 0 "[ . 1 . 2]" 1
255 1 32 ILE HA 1 32 ILE HG12 . . 2.750 2.651 2.595 2.712 . 0 0 "[ . 1 . 2]" 1
256 1 32 ILE HA 1 32 ILE HG13 . . 3.560 3.170 3.073 3.265 . 0 0 "[ . 1 . 2]" 1
257 1 32 ILE HA 1 32 ILE MG . . 3.320 2.348 2.278 2.420 . 0 0 "[ . 1 . 2]" 1
258 1 32 ILE HB 1 32 ILE MD . . 3.700 2.468 2.364 2.551 . 0 0 "[ . 1 . 2]" 1
259 1 32 ILE HB 1 33 ASP HA . . 4.780 4.699 4.579 4.769 . 0 0 "[ . 1 . 2]" 1
260 1 32 ILE MD 1 45 VAL HB . . 5.500 3.536 3.167 4.273 . 0 0 "[ . 1 . 2]" 1
261 1 32 ILE HG12 1 32 ILE MG . . 3.130 2.496 2.423 2.605 . 0 0 "[ . 1 . 2]" 1
262 1 32 ILE HG12 1 45 VAL HA . . 5.500 2.291 2.109 2.980 . 0 0 "[ . 1 . 2]" 1
263 1 32 ILE HG12 1 45 VAL MG2 . . 5.500 4.340 4.100 4.620 . 0 0 "[ . 1 . 2]" 1
264 1 32 ILE MG 1 33 ASP H . . 3.950 2.498 2.247 2.869 . 0 0 "[ . 1 . 2]" 1
265 1 32 ILE MG 1 43 THR HB . . 4.830 4.187 4.015 4.332 . 0 0 "[ . 1 . 2]" 1
266 1 32 ILE MG 1 43 THR MG . . 3.040 2.055 1.888 2.174 . 0 0 "[ . 1 . 2]" 1
267 1 32 ILE MG 1 45 VAL HA . . 2.830 2.265 2.103 2.772 . 0 0 "[ . 1 . 2]" 1
268 1 32 ILE MG 1 45 VAL HB . . 5.500 3.976 3.758 4.236 . 0 0 "[ . 1 . 2]" 1
269 1 33 ASP H 1 43 THR MG . . 4.530 3.692 3.371 4.227 . 0 0 "[ . 1 . 2]" 1
270 1 33 ASP H 1 44 PHE H . . 3.670 3.592 3.518 3.672 0.002 11 0 "[ . 1 . 2]" 1
271 1 33 ASP H 1 44 PHE HB3 . . 5.500 5.200 4.642 5.527 0.027 6 0 "[ . 1 . 2]" 1
272 1 33 ASP H 1 45 VAL HA . . 3.940 3.629 3.496 3.815 . 0 0 "[ . 1 . 2]" 1
273 1 33 ASP HA 1 34 VAL H . . 3.380 2.499 2.350 2.613 . 0 0 "[ . 1 . 2]" 1
274 1 33 ASP HA 1 34 VAL QG . . 4.310 3.434 3.246 3.753 . 0 0 "[ . 1 . 2]" 1
275 1 33 ASP HB2 1 34 VAL H . . 4.330 3.554 2.228 4.052 . 0 0 "[ . 1 . 2]" 1
276 1 33 ASP HB3 1 34 VAL H . . 4.330 3.139 2.284 3.874 . 0 0 "[ . 1 . 2]" 1
277 1 34 VAL H 1 34 VAL HB . . 3.850 3.670 2.791 3.875 0.025 6 0 "[ . 1 . 2]" 1
278 1 34 VAL H 1 34 VAL QG . . 3.820 2.224 2.075 2.759 . 0 0 "[ . 1 . 2]" 1
279 1 34 VAL HA 1 34 VAL MG1 . . 3.290 2.588 2.333 3.258 . 0 0 "[ . 1 . 2]" 1
280 1 34 VAL HA 1 34 VAL QG . . 2.870 2.355 2.156 2.402 . 0 0 "[ . 1 . 2]" 1
281 1 34 VAL HA 1 34 VAL MG2 . . 3.290 3.061 2.434 3.279 . 0 0 "[ . 1 . 2]" 1
282 1 34 VAL HA 1 35 LYS H . . 3.410 2.207 2.150 2.245 . 0 0 "[ . 1 . 2]" 1
283 1 34 VAL HB 1 35 LYS H . . 4.440 3.146 2.793 3.954 . 0 0 "[ . 1 . 2]" 1
284 1 34 VAL HB 1 42 LEU H . . 5.500 4.375 3.928 5.473 . 0 0 "[ . 1 . 2]" 1
285 1 34 VAL HB 1 44 PHE QD . . 5.260 5.072 4.736 5.368 0.108 2 0 "[ . 1 . 2]" 1
286 1 34 VAL QG 1 35 LYS H . . 3.390 3.143 2.184 3.462 0.072 16 0 "[ . 1 . 2]" 1
287 1 34 VAL QG 1 41 LYS HA . . 5.440 4.952 3.570 5.432 . 0 0 "[ . 1 . 2]" 1
288 1 34 VAL QG 1 41 LYS QE . . 3.000 2.659 2.193 3.041 0.041 20 0 "[ . 1 . 2]" 1
289 1 34 VAL QG 1 44 PHE QD . . 5.440 4.471 3.508 4.792 . 0 0 "[ . 1 . 2]" 1
290 1 34 VAL MG1 1 35 LYS H . . 3.990 3.871 2.193 4.047 0.057 10 0 "[ . 1 . 2]" 1
291 1 34 VAL MG2 1 35 LYS H . . 3.990 3.508 2.259 4.084 0.094 2 0 "[ . 1 . 2]" 1
292 1 35 LYS H 1 35 LYS HB2 . . 3.990 4.027 3.993 4.047 0.057 20 0 "[ . 1 . 2]" 1
293 1 35 LYS H 1 35 LYS HB3 . . 4.000 3.553 3.499 3.615 . 0 0 "[ . 1 . 2]" 1
294 1 35 LYS H 1 35 LYS HG2 . . 3.980 3.038 2.925 3.123 . 0 0 "[ . 1 . 2]" 1
295 1 35 LYS H 1 35 LYS QG . . 3.320 2.733 2.615 2.818 . 0 0 "[ . 1 . 2]" 1
296 1 35 LYS H 1 35 LYS HG3 . . 3.980 3.108 2.897 3.308 . 0 0 "[ . 1 . 2]" 1
297 1 35 LYS H 1 42 LEU H . . 2.960 3.027 3.003 3.061 0.101 10 0 "[ . 1 . 2]" 1
298 1 35 LYS H 1 44 PHE QD . . 4.220 2.578 2.340 2.725 . 0 0 "[ . 1 . 2]" 1
299 1 35 LYS H 1 44 PHE QE . . 3.890 3.342 2.741 3.601 . 0 0 "[ . 1 . 2]" 1
300 1 35 LYS HA 1 35 LYS HB3 . . 2.730 2.447 2.402 2.494 . 0 0 "[ . 1 . 2]" 1
301 1 35 LYS HA 1 35 LYS QG . . 3.520 3.394 3.364 3.417 . 0 0 "[ . 1 . 2]" 1
302 1 35 LYS HA 1 36 GLU H . . 2.930 2.404 2.288 2.465 . 0 0 "[ . 1 . 2]" 1
303 1 35 LYS HA 1 36 GLU HB2 . . 4.400 4.178 4.130 4.247 . 0 0 "[ . 1 . 2]" 1
304 1 35 LYS HA 1 36 GLU HG3 . . 5.500 5.435 5.242 5.513 0.013 9 0 "[ . 1 . 2]" 1
305 1 35 LYS HA 1 44 PHE QD . . 4.920 4.906 4.751 5.025 0.105 8 0 "[ . 1 . 2]" 1
306 1 35 LYS HB2 1 36 GLU H . . 3.050 2.277 2.159 2.640 . 0 0 "[ . 1 . 2]" 1
307 1 35 LYS HB2 1 37 VAL QG . . 5.500 5.038 3.773 5.279 . 0 0 "[ . 1 . 2]" 1
308 1 35 LYS HB3 1 36 GLU H . . 5.500 3.653 3.558 3.794 . 0 0 "[ . 1 . 2]" 1
309 1 35 LYS QD 1 35 LYS QE . . 2.440 2.070 2.016 2.126 . 0 0 "[ . 1 . 2]" 1
310 1 35 LYS QE 1 35 LYS QG . . 2.760 2.174 1.991 2.311 . 0 0 "[ . 1 . 2]" 1
311 1 35 LYS QE 1 37 VAL H . . 4.180 3.922 3.690 4.245 0.065 11 0 "[ . 1 . 2]" 1
312 1 35 LYS QE 1 37 VAL QG . . 3.610 2.771 1.839 3.010 . 0 0 "[ . 1 . 2]" 1
313 1 35 LYS QE 1 44 PHE QD . . 4.440 4.207 3.429 4.517 0.077 11 0 "[ . 1 . 2]" 1
314 1 35 LYS QG 1 44 PHE QD . . 3.370 2.198 2.110 2.478 . 0 0 "[ . 1 . 2]" 1
315 1 35 LYS HG2 1 44 PHE QE . . 4.090 3.893 3.255 4.110 0.020 16 0 "[ . 1 . 2]" 1
316 1 35 LYS HG3 1 44 PHE QE . . 4.090 2.760 2.328 3.066 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLU H 1 36 GLU HB3 . . 3.230 3.203 3.141 3.266 0.036 19 0 "[ . 1 . 2]" 1
318 1 36 GLU H 1 36 GLU HG2 . . 4.490 4.446 4.404 4.507 0.017 4 0 "[ . 1 . 2]" 1
319 1 36 GLU HA 1 36 GLU HB3 . . 3.000 2.899 2.854 2.925 . 0 0 "[ . 1 . 2]" 1
320 1 36 GLU HA 1 36 GLU HG2 . . 2.770 2.140 2.102 2.225 . 0 0 "[ . 1 . 2]" 1
321 1 36 GLU HA 1 36 GLU HG3 . . 3.200 2.930 2.715 3.057 . 0 0 "[ . 1 . 2]" 1
322 1 36 GLU HA 1 37 VAL H . . 2.830 2.143 2.118 2.208 . 0 0 "[ . 1 . 2]" 1
323 1 36 GLU HA 1 37 VAL QG . . 3.810 3.872 3.620 3.954 0.144 8 0 "[ . 1 . 2]" 1
324 1 36 GLU HA 1 40 GLN H . . 3.670 3.757 3.740 3.775 0.105 13 0 "[ . 1 . 2]" 1
325 1 36 GLU HA 1 41 LYS HA . . 2.740 2.236 2.166 2.373 . 0 0 "[ . 1 . 2]" 1
326 1 36 GLU HA 1 41 LYS QB . . 5.020 3.558 2.541 3.694 . 0 0 "[ . 1 . 2]" 1
327 1 36 GLU HA 1 41 LYS QD . . 5.500 4.593 4.203 5.115 . 0 0 "[ . 1 . 2]" 1
328 1 36 GLU HA 1 41 LYS QG . . 3.770 3.000 2.686 3.843 0.073 8 0 "[ . 1 . 2]" 1
329 1 36 GLU HB2 1 36 GLU HG2 . . 3.000 2.986 2.952 3.022 0.022 2 0 "[ . 1 . 2]" 1
330 1 36 GLU HB2 1 41 LYS QD . . 5.500 4.089 3.106 5.055 . 0 0 "[ . 1 . 2]" 1
331 1 36 GLU HB3 1 37 VAL H . . 5.500 3.922 3.773 4.007 . 0 0 "[ . 1 . 2]" 1
332 1 36 GLU HB3 1 39 GLY HA2 . . 4.680 4.595 4.032 4.748 0.068 14 0 "[ . 1 . 2]" 1
333 1 36 GLU HB3 1 40 GLN H . . 4.900 4.523 4.240 4.683 . 0 0 "[ . 1 . 2]" 1
334 1 36 GLU HG2 1 37 VAL H . . 5.500 3.405 3.254 3.517 . 0 0 "[ . 1 . 2]" 1
335 1 36 GLU HG2 1 40 GLN H . . 3.560 3.173 2.845 3.340 . 0 0 "[ . 1 . 2]" 1
336 1 36 GLU HG2 1 41 LYS H . . 4.040 3.225 3.066 3.365 . 0 0 "[ . 1 . 2]" 1
337 1 36 GLU HG2 1 41 LYS HA . . 3.810 3.037 2.822 3.694 . 0 0 "[ . 1 . 2]" 1
338 1 36 GLU HG3 1 37 VAL H . . 5.500 4.790 4.537 4.935 . 0 0 "[ . 1 . 2]" 1
339 1 36 GLU HG3 1 41 LYS H . . 4.430 3.936 3.408 4.239 . 0 0 "[ . 1 . 2]" 1
340 1 36 GLU HG3 1 41 LYS HA . . 4.630 3.379 3.162 3.817 . 0 0 "[ . 1 . 2]" 1
341 1 37 VAL H 1 37 VAL QG . . 3.190 2.248 2.197 2.309 . 0 0 "[ . 1 . 2]" 1
342 1 37 VAL H 1 40 GLN H . . 3.660 2.823 2.723 2.900 . 0 0 "[ . 1 . 2]" 1
343 1 37 VAL H 1 40 GLN QB . . 5.340 3.608 3.443 3.890 . 0 0 "[ . 1 . 2]" 1
344 1 37 VAL H 1 42 LEU HG . . 5.500 5.582 5.510 5.636 0.136 6 0 "[ . 1 . 2]" 1
345 1 37 VAL HA 1 37 VAL HB . . 2.550 2.474 2.342 2.512 . 0 0 "[ . 1 . 2]" 1
346 1 37 VAL HA 1 37 VAL QG . . 2.750 2.243 2.178 2.359 . 0 0 "[ . 1 . 2]" 1
347 1 37 VAL HA 1 38 ALA MB . . 4.380 4.145 4.076 4.173 . 0 0 "[ . 1 . 2]" 1
348 1 37 VAL HA 1 39 GLY H . . 4.450 3.689 3.617 3.801 . 0 0 "[ . 1 . 2]" 1
349 1 37 VAL QG 1 38 ALA H . . 5.140 2.525 2.285 3.422 . 0 0 "[ . 1 . 2]" 1
350 1 37 VAL QG 1 38 ALA HA . . 4.490 3.935 3.839 4.605 0.115 11 0 "[ . 1 . 2]" 1
351 1 37 VAL QG 1 38 ALA MB . . 3.680 2.593 2.478 2.861 . 0 0 "[ . 1 . 2]" 1
352 1 37 VAL QG 1 39 GLY HA2 . . 5.500 5.691 5.631 5.772 0.272 11 0 "[ . 1 . 2]" 1
353 1 37 VAL QG 1 40 GLN H . . 4.040 3.698 3.550 3.771 . 0 0 "[ . 1 . 2]" 1
354 1 37 VAL QG 1 41 LYS HA . . 5.500 4.583 3.991 4.768 . 0 0 "[ . 1 . 2]" 1
355 1 37 VAL QG 1 42 LEU HB3 . . 5.500 5.434 4.165 5.762 0.262 14 0 "[ . 1 . 2]" 1
356 1 37 VAL QG 1 44 PHE QD . . 5.120 3.966 3.309 4.545 . 0 0 "[ . 1 . 2]" 1
357 1 37 VAL QG 1 44 PHE QE . . 3.730 2.634 2.442 2.869 . 0 0 "[ . 1 . 2]" 1
358 1 37 VAL QG 1 44 PHE HZ . . 3.480 2.076 1.968 2.213 . 0 0 "[ . 1 . 2]" 1
359 1 37 VAL QG 1 59 PRO HG3 . . 5.500 5.207 4.865 5.468 . 0 0 "[ . 1 . 2]" 1
360 1 38 ALA MB 1 39 GLY H . . 3.790 3.714 3.705 3.720 . 0 0 "[ . 1 . 2]" 1
361 1 39 GLY H 1 40 GLN H . . 3.800 2.573 2.542 2.601 . 0 0 "[ . 1 . 2]" 1
362 1 40 GLN H 1 40 GLN HB2 . . 4.060 2.928 2.510 3.234 . 0 0 "[ . 1 . 2]" 1
363 1 40 GLN H 1 40 GLN HB3 . . 4.060 2.961 2.607 3.594 . 0 0 "[ . 1 . 2]" 1
364 1 40 GLN H 1 40 GLN HG2 . . 4.750 4.638 4.452 4.791 0.041 19 0 "[ . 1 . 2]" 1
365 1 40 GLN H 1 40 GLN HG3 . . 4.750 4.419 3.949 4.683 . 0 0 "[ . 1 . 2]" 1
366 1 40 GLN HA 1 40 GLN HG2 . . 4.030 3.195 2.082 3.825 . 0 0 "[ . 1 . 2]" 1
367 1 40 GLN HA 1 40 GLN QG . . 3.500 2.400 2.053 2.744 . 0 0 "[ . 1 . 2]" 1
368 1 40 GLN HA 1 40 GLN HG3 . . 4.030 2.621 2.340 3.123 . 0 0 "[ . 1 . 2]" 1
369 1 40 GLN HA 1 41 LYS H . . 2.930 2.131 2.079 2.180 . 0 0 "[ . 1 . 2]" 1
370 1 40 GLN QB 1 41 LYS H . . 4.330 3.815 3.491 3.964 . 0 0 "[ . 1 . 2]" 1
371 1 40 GLN QB 1 42 LEU MD2 . . 5.340 3.192 2.443 3.764 . 0 0 "[ . 1 . 2]" 1
372 1 40 GLN QG 1 41 LYS H . . 4.160 3.206 2.939 3.570 . 0 0 "[ . 1 . 2]" 1
373 1 40 GLN QG 1 41 LYS QB . . 5.180 4.861 4.555 5.243 0.063 18 0 "[ . 1 . 2]" 1
374 1 41 LYS H 1 41 LYS HB2 . . 3.810 2.555 2.335 3.681 . 0 0 "[ . 1 . 2]" 1
375 1 41 LYS H 1 41 LYS QB . . 3.150 2.382 2.259 3.014 . 0 0 "[ . 1 . 2]" 1
376 1 41 LYS H 1 41 LYS HB3 . . 3.810 2.904 2.699 3.200 . 0 0 "[ . 1 . 2]" 1
377 1 41 LYS H 1 41 LYS QG . . 4.440 3.902 2.007 4.047 . 0 0 "[ . 1 . 2]" 1
378 1 41 LYS HA 1 41 LYS QG . . 3.350 2.276 2.151 3.335 . 0 0 "[ . 1 . 2]" 1
379 1 41 LYS QE 1 41 LYS QG . . 2.570 2.153 2.028 2.433 . 0 0 "[ . 1 . 2]" 1
380 1 42 LEU H 1 42 LEU MD1 . . 4.330 4.229 4.110 4.280 . 0 0 "[ . 1 . 2]" 1
381 1 42 LEU H 1 42 LEU MD2 . . 5.500 3.636 3.516 3.715 . 0 0 "[ . 1 . 2]" 1
382 1 42 LEU H 1 42 LEU HG . . 3.780 2.898 2.808 2.985 . 0 0 "[ . 1 . 2]" 1
383 1 42 LEU HA 1 42 LEU HB2 . . 2.560 2.326 2.307 2.358 . 0 0 "[ . 1 . 2]" 1
384 1 42 LEU HA 1 42 LEU MD1 . . 3.510 3.537 3.440 3.578 0.068 16 0 "[ . 1 . 2]" 1
385 1 42 LEU HA 1 42 LEU HG . . 3.840 3.630 3.599 3.652 . 0 0 "[ . 1 . 2]" 1
386 1 42 LEU HA 1 43 THR H . . 2.940 2.476 2.373 2.519 . 0 0 "[ . 1 . 2]" 1
387 1 42 LEU HB2 1 42 LEU MD1 . . 3.600 2.123 2.105 2.148 . 0 0 "[ . 1 . 2]" 1
388 1 42 LEU HB2 1 42 LEU MD2 . . 3.320 2.816 2.772 2.850 . 0 0 "[ . 1 . 2]" 1
389 1 42 LEU HB2 1 43 THR H . . 4.260 2.615 2.482 2.882 . 0 0 "[ . 1 . 2]" 1
390 1 42 LEU HB2 1 44 PHE HZ . . 5.500 5.567 5.544 5.590 0.090 14 0 "[ . 1 . 2]" 1
391 1 42 LEU HB3 1 43 THR H . . 4.320 3.969 3.873 4.148 . 0 0 "[ . 1 . 2]" 1
392 1 42 LEU HB3 1 44 PHE QE . . 4.600 4.588 4.504 4.640 0.040 19 0 "[ . 1 . 2]" 1
393 1 42 LEU HB3 1 44 PHE HZ . . 4.850 4.787 4.727 4.864 0.014 20 0 "[ . 1 . 2]" 1
394 1 42 LEU HB3 1 62 LYS QB . . 5.340 4.616 4.493 4.768 . 0 0 "[ . 1 . 2]" 1
395 1 42 LEU MD1 1 43 THR H . . 5.010 2.384 2.259 2.550 . 0 0 "[ . 1 . 2]" 1
396 1 42 LEU MD1 1 43 THR HB . . 3.650 3.372 3.244 3.510 . 0 0 "[ . 1 . 2]" 1
397 1 42 LEU MD1 1 44 PHE HA . . 4.030 3.326 3.170 3.373 . 0 0 "[ . 1 . 2]" 1
398 1 42 LEU MD1 1 44 PHE HB3 . . 4.810 4.832 4.682 4.880 0.070 3 0 "[ . 1 . 2]" 1
399 1 42 LEU MD1 1 44 PHE QD . . 3.530 3.492 3.355 3.540 0.010 6 0 "[ . 1 . 2]" 1
400 1 42 LEU MD1 1 44 PHE QE . . 4.090 3.371 3.248 3.450 . 0 0 "[ . 1 . 2]" 1
401 1 42 LEU MD1 1 44 PHE HZ . . 4.130 3.734 3.552 3.848 . 0 0 "[ . 1 . 2]" 1
402 1 42 LEU MD1 1 58 VAL MG2 . . 5.500 5.455 5.325 5.528 0.028 17 0 "[ . 1 . 2]" 1
403 1 42 LEU MD1 1 59 PRO HB2 . . 5.500 2.100 2.060 2.155 . 0 0 "[ . 1 . 2]" 1
404 1 42 LEU MD1 1 59 PRO QD . . 5.010 4.211 4.151 4.250 . 0 0 "[ . 1 . 2]" 1
405 1 42 LEU MD1 1 60 GLU H . . 4.440 2.592 2.413 2.680 . 0 0 "[ . 1 . 2]" 1
406 1 42 LEU MD1 1 61 GLY QA . . 4.000 2.984 2.809 3.204 . 0 0 "[ . 1 . 2]" 1
407 1 42 LEU MD2 1 44 PHE QE . . 3.220 2.799 2.661 2.893 . 0 0 "[ . 1 . 2]" 1
408 1 42 LEU MD2 1 44 PHE HZ . . 4.120 2.267 2.215 2.346 . 0 0 "[ . 1 . 2]" 1
409 1 42 LEU MD2 1 59 PRO HB3 . . 5.500 2.267 2.173 2.348 . 0 0 "[ . 1 . 2]" 1
410 1 42 LEU MD2 1 59 PRO HG3 . . 5.500 3.708 3.635 3.828 . 0 0 "[ . 1 . 2]" 1
411 1 42 LEU MD2 1 61 GLY H . . 5.500 4.125 3.865 4.358 . 0 0 "[ . 1 . 2]" 1
412 1 42 LEU MD2 1 62 LYS HA . . 5.500 4.594 4.472 4.719 . 0 0 "[ . 1 . 2]" 1
413 1 42 LEU MD2 1 62 LYS QB . . 5.340 2.294 2.185 2.408 . 0 0 "[ . 1 . 2]" 1
414 1 42 LEU MD2 1 62 LYS QD . . 5.500 2.326 2.157 2.486 . 0 0 "[ . 1 . 2]" 1
415 1 42 LEU MD2 1 66 ILE MD . . 5.500 5.149 5.059 5.265 . 0 0 "[ . 1 . 2]" 1
416 1 42 LEU HG 1 43 THR H . . 5.050 3.802 3.703 4.031 . 0 0 "[ . 1 . 2]" 1
417 1 42 LEU HG 1 44 PHE QE . . 4.580 2.657 2.510 2.785 . 0 0 "[ . 1 . 2]" 1
418 1 42 LEU HG 1 59 PRO HB3 . . 3.800 3.677 3.619 3.804 0.004 7 0 "[ . 1 . 2]" 1
419 1 42 LEU HG 1 60 GLU H . . 4.900 4.963 4.830 5.013 0.113 12 0 "[ . 1 . 2]" 1
420 1 43 THR H 1 43 THR HB . . 3.330 2.669 2.549 2.741 . 0 0 "[ . 1 . 2]" 1
421 1 43 THR H 1 43 THR MG . . 3.810 3.779 3.739 3.815 0.005 13 0 "[ . 1 . 2]" 1
422 1 43 THR HA 1 43 THR MG . . 3.120 2.248 2.199 2.321 . 0 0 "[ . 1 . 2]" 1
423 1 43 THR HA 1 44 PHE H . . 3.010 2.192 2.135 2.241 . 0 0 "[ . 1 . 2]" 1
424 1 43 THR HA 1 44 PHE HB2 . . 4.760 4.637 4.554 4.687 . 0 0 "[ . 1 . 2]" 1
425 1 43 THR HB 1 44 PHE H . . 4.380 4.264 4.236 4.314 . 0 0 "[ . 1 . 2]" 1
426 1 43 THR HB 1 45 VAL MG1 . . 4.970 4.351 3.977 4.685 . 0 0 "[ . 1 . 2]" 1
427 1 43 THR HB 1 60 GLU QB . . 2.580 2.239 2.177 2.314 . 0 0 "[ . 1 . 2]" 1
428 1 43 THR HB 1 60 GLU HG2 . . 4.690 4.665 4.425 4.783 0.093 4 0 "[ . 1 . 2]" 1
429 1 43 THR HB 1 60 GLU QG . . 3.870 3.518 2.912 3.835 . 0 0 "[ . 1 . 2]" 1
430 1 43 THR HB 1 60 GLU HG3 . . 4.690 3.661 2.954 4.048 . 0 0 "[ . 1 . 2]" 1
431 1 43 THR MG 1 44 PHE H . . 3.650 2.987 2.877 3.108 . 0 0 "[ . 1 . 2]" 1
432 1 43 THR MG 1 60 GLU HA . . 5.500 5.354 5.162 5.515 0.015 16 0 "[ . 1 . 2]" 1
433 1 43 THR MG 1 60 GLU QB . . 5.340 2.924 2.544 3.456 . 0 0 "[ . 1 . 2]" 1
434 1 43 THR MG 1 60 GLU QG . . 5.340 3.007 2.476 3.361 . 0 0 "[ . 1 . 2]" 1
435 1 44 PHE H 1 44 PHE HB2 . . 4.190 2.547 2.484 2.598 . 0 0 "[ . 1 . 2]" 1
436 1 44 PHE H 1 44 PHE HB3 . . 3.720 3.714 3.681 3.742 0.022 6 0 "[ . 1 . 2]" 1
437 1 44 PHE H 1 44 PHE QD . . 3.810 2.986 2.728 3.156 . 0 0 "[ . 1 . 2]" 1
438 1 44 PHE HA 1 44 PHE HB3 . . 2.600 2.468 2.437 2.498 . 0 0 "[ . 1 . 2]" 1
439 1 44 PHE HA 1 45 VAL H . . 3.340 2.111 2.079 2.147 . 0 0 "[ . 1 . 2]" 1
440 1 44 PHE HA 1 59 PRO HA . . 3.140 2.445 2.362 2.596 . 0 0 "[ . 1 . 2]" 1
441 1 44 PHE HB2 1 45 VAL H . . 4.420 4.390 4.354 4.428 0.008 8 0 "[ . 1 . 2]" 1
442 1 44 PHE QD 1 45 VAL MG2 . . 5.500 4.889 4.714 5.080 . 0 0 "[ . 1 . 2]" 1
443 1 44 PHE QD 1 58 VAL MG1 . . 5.500 5.405 5.207 5.522 0.022 1 0 "[ . 1 . 2]" 1
444 1 44 PHE QD 1 59 PRO HA . . 4.030 2.703 2.462 2.849 . 0 0 "[ . 1 . 2]" 1
445 1 44 PHE QD 1 59 PRO QD . . 4.470 2.864 2.729 2.941 . 0 0 "[ . 1 . 2]" 1
446 1 44 PHE QE 1 58 VAL HA . . 4.770 4.786 4.729 4.820 0.050 1 0 "[ . 1 . 2]" 1
447 1 44 PHE QE 1 59 PRO HA . . 3.600 3.551 3.489 3.608 0.008 3 0 "[ . 1 . 2]" 1
448 1 44 PHE QE 1 59 PRO HB3 . . 2.890 2.149 2.078 2.188 . 0 0 "[ . 1 . 2]" 1
449 1 44 PHE QE 1 59 PRO QD . . 4.270 2.748 2.676 2.846 . 0 0 "[ . 1 . 2]" 1
450 1 44 PHE QE 1 59 PRO HG3 . . 3.730 3.260 3.199 3.376 . 0 0 "[ . 1 . 2]" 1
451 1 44 PHE QE 1 62 LYS QB . . 4.560 4.393 4.302 4.482 . 0 0 "[ . 1 . 2]" 1
452 1 44 PHE QE 1 62 LYS QD . . 3.870 4.004 3.976 4.078 0.208 7 0 "[ . 1 . 2]" 1
453 1 44 PHE HZ 1 59 PRO HG3 . . 5.250 5.031 4.987 5.167 . 0 0 "[ . 1 . 2]" 1
454 1 44 PHE HZ 1 62 LYS QB . . 5.340 4.972 4.874 5.024 . 0 0 "[ . 1 . 2]" 1
455 1 44 PHE HZ 1 62 LYS QD . . 4.270 4.147 4.014 4.239 . 0 0 "[ . 1 . 2]" 1
456 1 45 VAL H 1 45 VAL HB . . 4.040 3.667 3.640 3.700 . 0 0 "[ . 1 . 2]" 1
457 1 45 VAL H 1 45 VAL MG1 . . 4.060 2.574 2.261 2.732 . 0 0 "[ . 1 . 2]" 1
458 1 45 VAL H 1 45 VAL MG2 . . 3.800 2.089 1.959 2.208 . 0 0 "[ . 1 . 2]" 1
459 1 45 VAL H 1 58 VAL H . . 3.950 3.372 3.190 3.755 . 0 0 "[ . 1 . 2]" 1
460 1 45 VAL H 1 60 GLU QG . . 4.400 3.558 2.874 3.891 . 0 0 "[ . 1 . 2]" 1
461 1 45 VAL HA 1 45 VAL MG2 . . 3.640 3.259 3.227 3.276 . 0 0 "[ . 1 . 2]" 1
462 1 45 VAL HA 1 46 THR H . . 3.510 2.295 2.249 2.344 . 0 0 "[ . 1 . 2]" 1
463 1 45 VAL HA 1 60 GLU QG . . 4.520 4.445 4.017 4.662 0.142 2 0 "[ . 1 . 2]" 1
464 1 45 VAL MG1 1 60 GLU HA . . 3.860 3.904 3.820 3.988 0.128 9 0 "[ . 1 . 2]" 1
465 1 45 VAL MG1 1 60 GLU QG . . 2.960 1.921 1.856 1.990 . 0 0 "[ . 1 . 2]" 1
466 1 45 VAL MG2 1 58 VAL MG2 . . 5.500 2.028 1.921 2.168 . 0 0 "[ . 1 . 2]" 1
467 1 45 VAL MG2 1 70 LYS QB . . 5.340 4.005 3.566 4.438 . 0 0 "[ . 1 . 2]" 1
468 1 46 THR H 1 46 THR HB . . 3.620 2.870 2.745 3.036 . 0 0 "[ . 1 . 2]" 1
469 1 46 THR H 1 46 THR MG . . 4.050 3.957 3.924 3.983 . 0 0 "[ . 1 . 2]" 1
470 1 46 THR HA 1 47 MET H . . 3.460 2.113 2.079 2.141 . 0 0 "[ . 1 . 2]" 1
471 1 46 THR HA 1 57 MET HA . . 3.300 2.818 2.335 3.336 0.036 13 0 "[ . 1 . 2]" 1
472 1 46 THR HB 1 47 MET H . . 5.500 4.235 4.017 4.407 . 0 0 "[ . 1 . 2]" 1
473 1 46 THR MG 1 47 MET H . . 3.860 2.963 2.480 3.195 . 0 0 "[ . 1 . 2]" 1
474 1 47 MET H 1 47 MET HB2 . . 4.100 2.774 2.540 3.767 . 0 0 "[ . 1 . 2]" 1
475 1 47 MET H 1 47 MET QB . . 3.350 2.693 2.498 3.281 . 0 0 "[ . 1 . 2]" 1
476 1 47 MET H 1 47 MET HB3 . . 4.100 3.777 3.610 3.878 . 0 0 "[ . 1 . 2]" 1
477 1 47 MET H 1 47 MET QG . . 3.680 3.128 2.283 3.630 . 0 0 "[ . 1 . 2]" 1
478 1 47 MET H 1 56 VAL H . . 3.170 3.163 2.820 3.232 0.062 8 0 "[ . 1 . 2]" 1
479 1 47 MET H 1 57 MET HA . . 3.700 3.413 3.124 3.699 . 0 0 "[ . 1 . 2]" 1
480 1 47 MET HA 1 47 MET QG . . 3.900 2.619 2.408 3.510 . 0 0 "[ . 1 . 2]" 1
481 1 48 ARG H 1 48 ARG QB . . 3.690 2.861 2.515 3.294 . 0 0 "[ . 1 . 2]" 1
482 1 48 ARG HA 1 49 ARG H . . 3.460 2.126 2.030 2.330 . 0 0 "[ . 1 . 2]" 1
483 1 48 ARG HA 1 55 VAL HA . . 3.450 2.262 2.093 2.835 . 0 0 "[ . 1 . 2]" 1
484 1 48 ARG HA 1 56 VAL H . . 4.510 3.379 3.174 3.639 . 0 0 "[ . 1 . 2]" 1
485 1 48 ARG QB 1 48 ARG QD . . 3.440 2.239 2.109 2.484 . 0 0 "[ . 1 . 2]" 1
486 1 49 ARG H 1 49 ARG QG . . 4.050 2.875 2.008 4.042 . 0 0 "[ . 1 . 2]" 1
487 1 49 ARG H 1 53 GLY QA . . 4.870 4.718 4.190 4.904 0.034 14 0 "[ . 1 . 2]" 1
488 1 49 ARG H 1 54 ALA MB . . 4.080 3.882 3.461 4.115 0.035 15 0 "[ . 1 . 2]" 1
489 1 49 ARG H 1 55 VAL HA . . 4.110 3.409 3.122 4.111 0.001 6 0 "[ . 1 . 2]" 1
490 1 49 ARG H 1 55 VAL QG . . 5.040 4.250 3.695 5.050 0.010 6 0 "[ . 1 . 2]" 1
491 1 49 ARG HA 1 49 ARG QG . . 3.640 2.708 2.219 3.460 . 0 0 "[ . 1 . 2]" 1
492 1 49 ARG HA 1 50 GLU H . . 3.090 2.134 2.063 2.195 . 0 0 "[ . 1 . 2]" 1
493 1 49 ARG QB 1 50 GLU H . . 4.300 3.610 3.073 4.011 . 0 0 "[ . 1 . 2]" 1
494 1 49 ARG QB 1 50 GLU QG . . 5.340 4.909 4.296 5.356 0.016 11 0 "[ . 1 . 2]" 1
495 1 49 ARG QB 1 54 ALA H . . 4.090 3.245 2.309 4.135 0.045 3 0 "[ . 1 . 2]" 1
496 1 49 ARG HB2 1 49 ARG HE . . 4.560 3.155 2.189 4.385 . 0 0 "[ . 1 . 2]" 1
497 1 49 ARG HB2 1 54 ALA H . . 4.800 3.700 2.337 4.836 0.036 11 0 "[ . 1 . 2]" 1
498 1 49 ARG HB3 1 49 ARG HE . . 4.560 3.638 2.876 4.380 . 0 0 "[ . 1 . 2]" 1
499 1 49 ARG HB3 1 54 ALA H . . 4.800 4.181 2.913 4.943 0.143 17 0 "[ . 1 . 2]" 1
500 1 49 ARG QD 1 54 ALA MB . . 3.770 3.121 2.089 3.802 0.032 12 0 "[ . 1 . 2]" 1
501 1 49 ARG HE 1 54 ALA MB . . 3.870 3.174 1.819 3.899 0.029 1 0 "[ . 1 . 2]" 1
502 1 49 ARG QG 1 50 GLU H . . 5.500 4.125 3.184 4.640 . 0 0 "[ . 1 . 2]" 1
503 1 50 GLU QB 1 51 GLU H . . 4.320 3.390 2.647 3.794 . 0 0 "[ . 1 . 2]" 1
504 1 50 GLU HB2 1 51 GLU H . . 5.010 3.673 2.705 4.243 . 0 0 "[ . 1 . 2]" 1
505 1 50 GLU HB3 1 51 GLU H . . 5.010 4.099 3.768 4.293 . 0 0 "[ . 1 . 2]" 1
506 1 51 GLU H 1 51 GLU HB2 . . 3.950 2.381 2.064 2.679 . 0 0 "[ . 1 . 2]" 1
507 1 51 GLU H 1 51 GLU HB3 . . 3.950 3.127 2.499 3.612 . 0 0 "[ . 1 . 2]" 1
508 1 51 GLU H 1 51 GLU HG2 . . 4.650 3.757 2.118 4.610 . 0 0 "[ . 1 . 2]" 1
509 1 51 GLU H 1 51 GLU HG3 . . 4.650 3.624 2.107 4.588 . 0 0 "[ . 1 . 2]" 1
510 1 51 GLU H 1 52 ASP H . . 4.470 2.798 2.507 2.949 . 0 0 "[ . 1 . 2]" 1
511 1 51 GLU HA 1 51 GLU QG . . 3.180 2.442 2.251 3.055 . 0 0 "[ . 1 . 2]" 1
512 1 51 GLU QB 1 52 ASP H . . 3.580 2.550 2.405 2.757 . 0 0 "[ . 1 . 2]" 1
513 1 51 GLU HB2 1 52 ASP H . . 4.110 3.197 2.453 3.975 . 0 0 "[ . 1 . 2]" 1
514 1 51 GLU HB3 1 52 ASP H . . 4.110 3.047 2.435 3.698 . 0 0 "[ . 1 . 2]" 1
515 1 51 GLU QG 1 52 ASP H . . 4.200 4.024 3.617 4.244 0.044 5 0 "[ . 1 . 2]" 1
516 1 52 ASP H 1 52 ASP QB . . 3.590 2.543 2.101 3.140 . 0 0 "[ . 1 . 2]" 1
517 1 52 ASP H 1 53 GLY H . . 3.630 2.080 1.895 2.679 . 0 0 "[ . 1 . 2]" 1
518 1 53 GLY H 1 54 ALA H . . 4.220 2.574 2.274 2.750 . 0 0 "[ . 1 . 2]" 1
519 1 53 GLY QA 1 54 ALA H . . 2.990 2.834 2.544 2.997 0.007 11 0 "[ . 1 . 2]" 1
520 1 54 ALA H 1 54 ALA MB . . 3.400 2.329 2.232 2.599 . 0 0 "[ . 1 . 2]" 1
521 1 54 ALA H 1 55 VAL H . . 5.050 4.566 4.358 4.641 . 0 0 "[ . 1 . 2]" 1
522 1 54 ALA HA 1 55 VAL H . . 3.210 2.362 2.175 2.495 . 0 0 "[ . 1 . 2]" 1
523 1 54 ALA MB 1 55 VAL H . . 3.400 2.509 2.287 3.183 . 0 0 "[ . 1 . 2]" 1
524 1 54 ALA MB 1 55 VAL QG . . 5.440 3.693 3.546 3.945 . 0 0 "[ . 1 . 2]" 1
525 1 55 VAL H 1 55 VAL HB . . 3.860 3.742 2.367 3.909 0.049 4 0 "[ . 1 . 2]" 1
526 1 55 VAL H 1 55 VAL MG1 . . 3.510 2.824 2.223 3.219 . 0 0 "[ . 1 . 2]" 1
527 1 55 VAL H 1 55 VAL QG . . 3.000 2.173 2.002 2.315 . 0 0 "[ . 1 . 2]" 1
528 1 55 VAL H 1 55 VAL MG2 . . 3.510 2.330 2.118 3.698 0.188 16 0 "[ . 1 . 2]" 1
529 1 55 VAL HA 1 55 VAL HB . . 2.670 2.408 2.340 2.513 . 0 0 "[ . 1 . 2]" 1
530 1 55 VAL HA 1 55 VAL MG1 . . 3.670 2.417 2.294 3.274 . 0 0 "[ . 1 . 2]" 1
531 1 55 VAL HA 1 55 VAL QG . . 2.980 2.315 2.251 2.383 . 0 0 "[ . 1 . 2]" 1
532 1 55 VAL HA 1 55 VAL MG2 . . 3.670 3.215 2.299 3.278 . 0 0 "[ . 1 . 2]" 1
533 1 55 VAL QG 1 56 VAL H . . 3.820 3.272 2.362 3.422 . 0 0 "[ . 1 . 2]" 1
534 1 56 VAL H 1 56 VAL MG1 . . 4.330 2.916 2.250 3.966 . 0 0 "[ . 1 . 2]" 1
535 1 56 VAL H 1 56 VAL QG . . 3.770 2.481 2.238 2.987 . 0 0 "[ . 1 . 2]" 1
536 1 56 VAL H 1 56 VAL MG2 . . 4.330 3.429 2.289 4.038 . 0 0 "[ . 1 . 2]" 1
537 1 56 VAL HA 1 57 MET H . . 3.320 2.133 2.045 2.285 . 0 0 "[ . 1 . 2]" 1
538 1 56 VAL QG 1 57 MET H . . 4.170 2.913 2.352 3.656 . 0 0 "[ . 1 . 2]" 1
539 1 56 VAL QG 1 68 VAL QG . . 5.440 4.252 3.817 5.009 . 0 0 "[ . 1 . 2]" 1
540 1 56 VAL QG 1 70 LYS QB . . 5.280 5.305 4.976 5.441 0.161 20 0 "[ . 1 . 2]" 1
541 1 57 MET H 1 57 MET QB . . 2.900 2.757 2.415 3.010 0.110 7 0 "[ . 1 . 2]" 1
542 1 57 MET H 1 58 VAL MG1 . . 3.810 3.686 3.442 3.849 0.039 4 0 "[ . 1 . 2]" 1
543 1 57 MET HA 1 57 MET QG . . 3.230 2.755 2.074 3.375 0.145 5 0 "[ . 1 . 2]" 1
544 1 57 MET HA 1 58 VAL H . . 3.420 2.138 2.068 2.187 . 0 0 "[ . 1 . 2]" 1
545 1 58 VAL H 1 58 VAL MG2 . . 3.770 2.456 2.286 2.612 . 0 0 "[ . 1 . 2]" 1
546 1 58 VAL HA 1 59 PRO HB3 . . 4.880 4.859 4.801 4.895 0.015 11 0 "[ . 1 . 2]" 1
547 1 58 VAL HA 1 59 PRO HD2 . . 3.460 2.290 2.252 2.351 . 0 0 "[ . 1 . 2]" 1
548 1 58 VAL HA 1 59 PRO QD . . 2.870 2.085 2.058 2.109 . 0 0 "[ . 1 . 2]" 1
549 1 58 VAL HA 1 59 PRO HD3 . . 3.460 2.400 2.364 2.446 . 0 0 "[ . 1 . 2]" 1
550 1 58 VAL HB 1 59 PRO HB2 . . 5.500 5.441 5.353 5.518 0.018 15 0 "[ . 1 . 2]" 1
551 1 58 VAL HB 1 59 PRO QD . . 2.930 2.142 2.076 2.204 . 0 0 "[ . 1 . 2]" 1
552 1 58 VAL HB 1 63 VAL HB . . 5.500 5.477 5.332 5.557 0.057 3 0 "[ . 1 . 2]" 1
553 1 58 VAL MG1 1 59 PRO QD . . 4.330 3.027 2.911 3.183 . 0 0 "[ . 1 . 2]" 1
554 1 58 VAL MG1 1 59 PRO HG3 . . 5.500 5.353 5.223 5.511 0.011 15 0 "[ . 1 . 2]" 1
555 1 58 VAL MG1 1 70 LYS QB . . 5.340 5.255 4.953 5.417 0.077 2 0 "[ . 1 . 2]" 1
556 1 58 VAL MG2 1 59 PRO HB2 . . 5.500 5.533 5.338 5.581 0.081 19 0 "[ . 1 . 2]" 1
557 1 58 VAL MG2 1 59 PRO HG2 . . 5.500 4.632 4.414 4.718 . 0 0 "[ . 1 . 2]" 1
558 1 58 VAL MG2 1 70 LYS QB . . 5.340 3.791 3.342 4.185 . 0 0 "[ . 1 . 2]" 1
559 1 59 PRO HB2 1 61 GLY H . . 5.500 3.511 3.465 3.660 . 0 0 "[ . 1 . 2]" 1
560 1 59 PRO HB2 1 62 LYS H . . 3.930 2.516 2.475 2.606 . 0 0 "[ . 1 . 2]" 1
561 1 59 PRO HB2 1 62 LYS HA . . 4.240 4.225 4.168 4.288 0.048 13 0 "[ . 1 . 2]" 1
562 1 59 PRO HB2 1 62 LYS QB . . 2.610 1.989 1.968 2.013 . 0 0 "[ . 1 . 2]" 1
563 1 59 PRO HB2 1 62 LYS QD . . 3.340 3.340 3.213 3.389 0.049 1 0 "[ . 1 . 2]" 1
564 1 59 PRO HB2 1 63 VAL H . . 4.710 3.695 3.641 3.769 . 0 0 "[ . 1 . 2]" 1
565 1 59 PRO HG2 1 63 VAL H . . 5.500 3.415 3.357 3.468 . 0 0 "[ . 1 . 2]" 1
566 1 59 PRO HG2 1 63 VAL HB . . 5.500 5.498 5.417 5.530 0.030 7 0 "[ . 1 . 2]" 1
567 1 59 PRO HG2 1 63 VAL MG1 . . 5.500 3.641 3.375 3.717 . 0 0 "[ . 1 . 2]" 1
568 1 59 PRO HG2 1 66 ILE MD . . 5.500 2.184 2.122 2.227 . 0 0 "[ . 1 . 2]" 1
569 1 59 PRO HG3 1 62 LYS QG . . 4.030 3.959 3.905 4.047 0.017 7 0 "[ . 1 . 2]" 1
570 1 59 PRO HG3 1 66 ILE H . . 5.450 5.442 5.299 5.482 0.032 3 0 "[ . 1 . 2]" 1
571 1 59 PRO HG3 1 66 ILE MD . . 5.500 2.412 2.326 2.519 . 0 0 "[ . 1 . 2]" 1
572 1 60 GLU H 1 60 GLU QB . . 3.550 2.243 2.069 2.537 . 0 0 "[ . 1 . 2]" 1
573 1 60 GLU HA 1 60 GLU QG . . 2.840 2.318 2.207 2.418 . 0 0 "[ . 1 . 2]" 1
574 1 60 GLU HA 1 63 VAL H . . 3.840 3.801 3.694 3.894 0.054 7 0 "[ . 1 . 2]" 1
575 1 60 GLU HA 1 63 VAL MG1 . . 3.260 2.335 2.219 2.494 . 0 0 "[ . 1 . 2]" 1
576 1 60 GLU HA 1 63 VAL MG2 . . 3.490 3.158 2.973 3.360 . 0 0 "[ . 1 . 2]" 1
577 1 60 GLU QB 1 63 VAL MG2 . . 5.340 4.502 4.361 4.643 . 0 0 "[ . 1 . 2]" 1
578 1 60 GLU QG 1 61 GLY H . . 4.830 4.463 4.156 4.635 . 0 0 "[ . 1 . 2]" 1
579 1 61 GLY H 1 62 LYS QB . . 5.340 4.022 3.983 4.162 . 0 0 "[ . 1 . 2]" 1
580 1 61 GLY QA 1 64 LEU MD1 . . 5.190 4.927 4.863 4.975 . 0 0 "[ . 1 . 2]" 1
581 1 61 GLY QA 1 64 LEU HG . . 4.650 4.762 4.752 4.776 0.126 5 0 "[ . 1 . 2]" 1
582 1 62 LYS H 1 62 LYS QB . . 2.720 2.614 2.595 2.636 . 0 0 "[ . 1 . 2]" 1
583 1 62 LYS H 1 62 LYS QD . . 4.890 4.689 4.638 4.788 . 0 0 "[ . 1 . 2]" 1
584 1 62 LYS H 1 63 VAL H . . 3.230 1.963 1.944 2.014 . 0 0 "[ . 1 . 2]" 1
585 1 62 LYS HA 1 62 LYS QD . . 4.320 4.020 3.984 4.090 . 0 0 "[ . 1 . 2]" 1
586 1 62 LYS HA 1 62 LYS QG . . 3.450 2.360 2.242 2.425 . 0 0 "[ . 1 . 2]" 1
587 1 62 LYS HA 1 63 VAL MG2 . . 4.380 4.396 4.356 4.431 0.051 14 0 "[ . 1 . 2]" 1
588 1 62 LYS HA 1 65 ALA H . . 4.420 3.701 3.634 3.768 . 0 0 "[ . 1 . 2]" 1
589 1 62 LYS HA 1 65 ALA MB . . 3.960 3.879 3.784 3.980 0.020 11 0 "[ . 1 . 2]" 1
590 1 62 LYS QB 1 62 LYS QD . . 3.340 2.054 2.021 2.081 . 0 0 "[ . 1 . 2]" 1
591 1 62 LYS QD 1 62 LYS QE . . 2.500 2.064 2.000 2.131 . 0 0 "[ . 1 . 2]" 1
592 1 62 LYS QE 1 62 LYS QG . . 3.340 2.247 2.089 2.460 . 0 0 "[ . 1 . 2]" 1
593 1 63 VAL H 1 63 VAL HB . . 3.590 3.623 3.611 3.640 0.050 14 0 "[ . 1 . 2]" 1
594 1 63 VAL H 1 63 VAL MG1 . . 4.010 2.582 2.414 2.644 . 0 0 "[ . 1 . 2]" 1
595 1 63 VAL H 1 63 VAL MG2 . . 3.330 2.354 2.320 2.419 . 0 0 "[ . 1 . 2]" 1
596 1 63 VAL H 1 64 LEU H . . 4.160 2.927 2.878 2.954 . 0 0 "[ . 1 . 2]" 1
597 1 63 VAL HA 1 63 VAL MG1 . . 3.260 2.236 2.167 2.270 . 0 0 "[ . 1 . 2]" 1
598 1 63 VAL HA 1 63 VAL MG2 . . 3.410 3.283 3.271 3.297 . 0 0 "[ . 1 . 2]" 1
599 1 63 VAL HA 1 66 ILE HB . . 3.730 3.083 2.912 3.198 . 0 0 "[ . 1 . 2]" 1
600 1 63 VAL HA 1 66 ILE MD . . 3.390 2.270 2.128 2.389 . 0 0 "[ . 1 . 2]" 1
601 1 63 VAL HB 1 64 LEU H . . 3.650 3.635 3.582 3.678 0.028 13 0 "[ . 1 . 2]" 1
602 1 63 VAL HB 1 64 LEU HG . . 5.500 5.151 5.071 5.242 . 0 0 "[ . 1 . 2]" 1
603 1 63 VAL HB 1 65 ALA H . . 5.400 5.173 5.132 5.277 . 0 0 "[ . 1 . 2]" 1
604 1 63 VAL HB 1 68 VAL HB . . 5.500 4.749 3.553 5.442 . 0 0 "[ . 1 . 2]" 1
605 1 63 VAL HB 1 68 VAL QG . . 4.280 3.110 2.212 4.178 . 0 0 "[ . 1 . 2]" 1
606 1 63 VAL MG1 1 64 LEU H . . 5.500 4.213 4.129 4.241 . 0 0 "[ . 1 . 2]" 1
607 1 63 VAL MG1 1 64 LEU HA . . 5.500 5.513 5.476 5.534 0.034 13 0 "[ . 1 . 2]" 1
608 1 63 VAL MG1 1 66 ILE MD . . 3.300 3.194 3.025 3.324 0.024 13 0 "[ . 1 . 2]" 1
609 1 63 VAL MG1 1 68 VAL H . . 4.290 4.263 4.016 4.325 0.035 11 0 "[ . 1 . 2]" 1
610 1 63 VAL MG1 1 68 VAL HA . . 5.500 5.283 5.172 5.463 . 0 0 "[ . 1 . 2]" 1
611 1 63 VAL MG2 1 64 LEU H . . 5.180 2.155 2.057 2.200 . 0 0 "[ . 1 . 2]" 1
612 1 63 VAL MG2 1 64 LEU MD2 . . 5.500 2.293 2.222 2.346 . 0 0 "[ . 1 . 2]" 1
613 1 63 VAL MG2 1 66 ILE HB . . 5.500 5.525 5.402 5.596 0.096 18 0 "[ . 1 . 2]" 1
614 1 64 LEU H 1 64 LEU QB . . 3.470 2.639 2.616 2.671 . 0 0 "[ . 1 . 2]" 1
615 1 64 LEU H 1 64 LEU MD1 . . 4.070 3.656 3.633 3.679 . 0 0 "[ . 1 . 2]" 1
616 1 64 LEU H 1 64 LEU MD2 . . 5.500 2.644 2.578 2.703 . 0 0 "[ . 1 . 2]" 1
617 1 64 LEU H 1 64 LEU HG . . 3.580 2.020 1.987 2.060 . 0 0 "[ . 1 . 2]" 1
618 1 64 LEU H 1 65 ALA H . . 4.160 2.790 2.756 2.819 . 0 0 "[ . 1 . 2]" 1
619 1 64 LEU HA 1 64 LEU MD2 . . 3.460 2.358 2.325 2.405 . 0 0 "[ . 1 . 2]" 1
620 1 64 LEU QB 1 64 LEU MD1 . . 3.060 2.085 2.071 2.095 . 0 0 "[ . 1 . 2]" 1
621 1 64 LEU QB 1 65 ALA H . . 4.460 2.858 2.741 2.910 . 0 0 "[ . 1 . 2]" 1
622 1 64 LEU QB 1 66 ILE H . . 5.340 5.105 5.020 5.155 . 0 0 "[ . 1 . 2]" 1
623 1 64 LEU HB2 1 64 LEU MD1 . . 3.630 2.373 2.342 2.396 . 0 0 "[ . 1 . 2]" 1
624 1 64 LEU HB2 1 65 ALA H . . 5.240 2.922 2.794 2.980 . 0 0 "[ . 1 . 2]" 1
625 1 64 LEU HB3 1 64 LEU MD1 . . 3.630 2.312 2.275 2.360 . 0 0 "[ . 1 . 2]" 1
626 1 64 LEU HB3 1 65 ALA H . . 5.240 4.042 3.967 4.083 . 0 0 "[ . 1 . 2]" 1
627 1 64 LEU MD2 1 69 ARG QD . . 3.980 3.703 3.102 3.975 . 0 0 "[ . 1 . 2]" 1
628 1 64 LEU HG 1 65 ALA H . . 5.240 4.224 4.125 4.282 . 0 0 "[ . 1 . 2]" 1
629 1 65 ALA H 1 65 ALA MB . . 3.610 2.217 2.181 2.232 . 0 0 "[ . 1 . 2]" 1
630 1 65 ALA H 1 66 ILE H . . 4.350 2.614 2.591 2.651 . 0 0 "[ . 1 . 2]" 1
631 1 65 ALA MB 1 66 ILE H . . 4.080 2.393 2.334 2.429 . 0 0 "[ . 1 . 2]" 1
632 1 66 ILE H 1 66 ILE HB . . 3.400 2.601 2.522 2.704 . 0 0 "[ . 1 . 2]" 1
633 1 66 ILE H 1 66 ILE MD . . 3.700 1.909 1.775 2.220 . 0 0 "[ . 1 . 2]" 1
634 1 66 ILE H 1 66 ILE QG . . 3.600 2.746 2.501 2.871 . 0 0 "[ . 1 . 2]" 1
635 1 66 ILE H 1 66 ILE MG . . 3.890 3.836 3.820 3.849 . 0 0 "[ . 1 . 2]" 1
636 1 66 ILE H 1 67 GLY H . . 4.360 2.597 2.563 2.635 . 0 0 "[ . 1 . 2]" 1
637 1 66 ILE H 1 67 GLY QA . . 5.230 4.517 4.493 4.550 . 0 0 "[ . 1 . 2]" 1
638 1 66 ILE HA 1 66 ILE MD . . 3.870 3.613 3.537 3.789 . 0 0 "[ . 1 . 2]" 1
639 1 66 ILE HA 1 66 ILE QG . . 2.810 2.430 2.363 2.508 . 0 0 "[ . 1 . 2]" 1
640 1 66 ILE HA 1 66 ILE MG . . 2.890 2.407 2.355 2.460 . 0 0 "[ . 1 . 2]" 1
641 1 66 ILE HB 1 68 VAL H . . 4.170 2.645 2.537 2.877 . 0 0 "[ . 1 . 2]" 1
642 1 66 ILE HB 1 68 VAL QG . . 5.500 2.418 2.078 3.223 . 0 0 "[ . 1 . 2]" 1
643 1 66 ILE MD 1 68 VAL QG . . 5.500 3.147 2.763 4.057 . 0 0 "[ . 1 . 2]" 1
644 1 67 GLY H 1 68 VAL H . . 2.900 2.423 2.328 2.493 . 0 0 "[ . 1 . 2]" 1
645 1 67 GLY QA 1 68 VAL QG . . 5.310 3.776 3.553 4.221 . 0 0 "[ . 1 . 2]" 1
646 1 68 VAL H 1 68 VAL QG . . 3.760 2.108 1.886 2.668 . 0 0 "[ . 1 . 2]" 1
647 1 68 VAL HA 1 68 VAL QG . . 3.300 2.311 2.132 2.429 . 0 0 "[ . 1 . 2]" 1
648 1 68 VAL HA 1 69 ARG H . . 3.520 2.214 2.163 2.319 . 0 0 "[ . 1 . 2]" 1
649 1 68 VAL HB 1 69 ARG H . . 5.070 3.614 2.632 4.342 . 0 0 "[ . 1 . 2]" 1
650 1 68 VAL QG 1 69 ARG H . . 4.120 3.258 2.283 3.701 . 0 0 "[ . 1 . 2]" 1
651 1 68 VAL QG 1 70 LYS QG . . 5.340 3.276 2.415 4.741 . 0 0 "[ . 1 . 2]" 1
652 1 69 ARG H 1 69 ARG QG . . 4.760 3.577 2.493 4.326 . 0 0 "[ . 1 . 2]" 1
653 1 69 ARG HA 1 69 ARG QD . . 4.270 2.387 2.112 3.919 . 0 0 "[ . 1 . 2]" 1
654 1 69 ARG HA 1 70 LYS H . . 2.570 2.079 2.002 2.160 . 0 0 "[ . 1 . 2]" 1
655 1 69 ARG QB 1 69 ARG QD . . 3.160 2.377 2.233 2.572 . 0 0 "[ . 1 . 2]" 1
656 1 69 ARG QB 1 74 ALA HA . . 3.900 3.977 3.926 4.030 0.130 3 0 "[ . 1 . 2]" 1
657 1 69 ARG QB 1 74 ALA MB . . 5.340 2.108 2.000 2.453 . 0 0 "[ . 1 . 2]" 1
658 1 69 ARG QD 1 71 VAL QG . . 4.680 3.361 2.286 4.633 . 0 0 "[ . 1 . 2]" 1
659 1 69 ARG QD 1 74 ALA MB . . 5.500 3.271 2.282 4.448 . 0 0 "[ . 1 . 2]" 1
660 1 70 LYS H 1 70 LYS QB . . 3.130 3.008 2.811 3.183 0.053 11 0 "[ . 1 . 2]" 1
661 1 70 LYS H 1 70 LYS QG . . 4.080 2.125 1.917 2.785 . 0 0 "[ . 1 . 2]" 1
662 1 70 LYS HA 1 70 LYS QE . . 4.770 4.430 3.935 4.817 0.047 3 0 "[ . 1 . 2]" 1
663 1 70 LYS HA 1 70 LYS QG . . 3.700 3.392 2.778 3.528 . 0 0 "[ . 1 . 2]" 1
664 1 70 LYS HA 1 71 VAL H . . 3.470 2.119 2.091 2.165 . 0 0 "[ . 1 . 2]" 1
665 1 70 LYS HA 1 71 VAL QG . . 5.440 3.785 3.562 4.006 . 0 0 "[ . 1 . 2]" 1
666 1 70 LYS QB 1 70 LYS QE . . 3.910 2.455 1.994 3.412 . 0 0 "[ . 1 . 2]" 1
667 1 70 LYS QB 1 71 VAL H . . 4.380 3.566 3.513 3.632 . 0 0 "[ . 1 . 2]" 1
668 1 70 LYS QE 1 70 LYS QG . . 3.430 2.417 1.899 2.911 . 0 0 "[ . 1 . 2]" 1
669 1 70 LYS QG 1 71 VAL H . . 4.600 4.582 4.379 4.658 0.058 5 0 "[ . 1 . 2]" 1
670 1 71 VAL H 1 75 GLU HA . . 4.730 4.588 2.259 4.954 0.224 5 0 "[ . 1 . 2]" 1
671 1 71 VAL HA 1 71 VAL MG1 . . 3.100 2.266 2.070 2.391 . 0 0 "[ . 1 . 2]" 1
672 1 71 VAL HA 1 71 VAL MG2 . . 3.100 2.664 2.384 2.936 . 0 0 "[ . 1 . 2]" 1
673 1 71 VAL HB 1 72 ALA H . . 4.280 3.002 2.108 3.540 . 0 0 "[ . 1 . 2]" 1
674 1 71 VAL HB 1 73 SER H . . 5.140 2.783 2.312 3.342 . 0 0 "[ . 1 . 2]" 1
675 1 71 VAL HB 1 74 ALA H . . 4.060 2.301 1.849 2.756 . 0 0 "[ . 1 . 2]" 1
676 1 71 VAL HB 1 74 ALA HA . . 4.570 4.382 3.774 4.640 0.070 3 0 "[ . 1 . 2]" 1
677 1 71 VAL HB 1 74 ALA MB . . 2.720 2.292 2.131 2.633 . 0 0 "[ . 1 . 2]" 1
678 1 71 VAL QG 1 72 ALA H . . 4.340 2.178 1.746 2.905 . 0 0 "[ . 1 . 2]" 1
679 1 71 VAL QG 1 73 SER H . . 4.210 2.696 2.276 3.197 . 0 0 "[ . 1 . 2]" 1
680 1 71 VAL QG 1 74 ALA H . . 3.480 3.153 2.824 3.525 0.045 20 0 "[ . 1 . 2]" 1
681 1 71 VAL MG1 1 74 ALA MB . . 5.500 3.334 3.067 3.690 . 0 0 "[ . 1 . 2]" 1
682 1 71 VAL MG2 1 74 ALA MB . . 5.500 2.188 1.981 2.474 . 0 0 "[ . 1 . 2]" 1
683 1 74 ALA H 1 74 ALA MB . . 3.650 2.181 2.012 2.404 . 0 0 "[ . 1 . 2]" 1
684 1 74 ALA MB 1 75 GLU H . . 3.970 2.771 2.072 3.736 . 0 0 "[ . 1 . 2]" 1
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