NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650458 |
6wa4   |
30739 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6wa4
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 452
_Distance_constraint_stats_list.Viol_count 659
_Distance_constraint_stats_list.Viol_total 181.648
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 6 ARG 0.001 0.001 2 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 20 0 "[ . 1 . 2]"
1 8 TRP 0.218 0.084 18 0 "[ . 1 . 2]"
1 9 LYS 0.143 0.021 5 0 "[ . 1 . 2]"
1 10 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.129 0.021 5 0 "[ . 1 . 2]"
1 13 LYS 0.007 0.005 11 0 "[ . 1 . 2]"
1 14 ARG 0.006 0.002 13 0 "[ . 1 . 2]"
1 15 CYS 0.011 0.003 2 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.021 0.012 11 0 "[ . 1 . 2]"
1 18 VAL 0.021 0.012 11 0 "[ . 1 . 2]"
1 19 ALA 0.019 0.006 6 0 "[ . 1 . 2]"
1 20 VAL 0.029 0.005 1 0 "[ . 1 . 2]"
1 21 GLY 0.031 0.005 1 0 "[ . 1 . 2]"
1 22 VAL 0.002 0.002 11 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.013 0.005 13 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.156 0.053 19 0 "[ . 1 . 2]"
1 31 GLU 0.209 0.053 19 0 "[ . 1 . 2]"
1 32 GLY 0.328 0.036 13 0 "[ . 1 . 2]"
1 33 ASN 0.352 0.036 13 0 "[ . 1 . 2]"
1 34 PHE 0.142 0.043 10 0 "[ . 1 . 2]"
1 35 ARG 0.200 0.043 10 0 "[ . 1 . 2]"
1 36 TRP 0.822 0.046 15 0 "[ . 1 . 2]"
1 37 ALA 0.020 0.012 7 0 "[ . 1 . 2]"
1 38 ILE 0.101 0.033 8 0 "[ . 1 . 2]"
1 39 ARG 0.145 0.033 8 0 "[ . 1 . 2]"
1 40 MET 0.204 0.041 11 0 "[ . 1 . 2]"
1 41 ALA 0.026 0.018 10 0 "[ . 1 . 2]"
1 42 ASN 0.192 0.019 16 0 "[ . 1 . 2]"
1 43 VAL 0.371 0.041 11 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 THR 0.008 0.008 13 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.326 0.080 11 0 "[ . 1 . 2]"
1 48 GLU 0.326 0.080 11 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.129 0.025 11 0 "[ . 1 . 2]"
1 56 LEU 0.121 0.022 13 0 "[ . 1 . 2]"
1 57 ASP 0.143 0.025 11 0 "[ . 1 . 2]"
1 58 GLN 0.017 0.017 11 0 "[ . 1 . 2]"
1 59 LEU 0.207 0.050 2 0 "[ . 1 . 2]"
1 60 ARG 0.089 0.050 2 0 "[ . 1 . 2]"
1 61 LEU 0.035 0.009 7 0 "[ . 1 . 2]"
1 62 VAL 0.119 0.017 5 0 "[ . 1 . 2]"
1 63 ILE 0.061 0.029 5 0 "[ . 1 . 2]"
1 64 CYS 0.042 0.009 2 0 "[ . 1 . 2]"
1 65 ASP 0.191 0.030 5 0 "[ . 1 . 2]"
1 66 LEU 0.134 0.030 5 0 "[ . 1 . 2]"
1 67 GLN 0.035 0.026 5 0 "[ . 1 . 2]"
1 68 GLU 0.200 0.056 5 0 "[ . 1 . 2]"
1 69 ARG 0.234 0.038 14 0 "[ . 1 . 2]"
1 70 ARG 0.136 0.038 14 0 "[ . 1 . 2]"
1 71 GLU 0.420 0.077 3 0 "[ . 1 . 2]"
1 72 LYS 0.344 0.077 3 0 "[ . 1 . 2]"
1 73 PHE 0.006 0.006 7 0 "[ . 1 . 2]"
1 74 GLY 0.287 0.060 17 0 "[ . 1 . 2]"
1 75 SER 0.287 0.060 17 0 "[ . 1 . 2]"
1 76 SER 0.349 0.046 5 0 "[ . 1 . 2]"
1 77 LYS 0.033 0.013 8 0 "[ . 1 . 2]"
1 78 GLU 0.664 0.099 8 0 "[ . 1 . 2]"
1 79 ILE 0.494 0.099 8 0 "[ . 1 . 2]"
1 80 ASP 0.347 0.031 12 0 "[ . 1 . 2]"
1 81 MET 0.192 0.031 8 0 "[ . 1 . 2]"
1 82 ALA 0.913 0.046 15 0 "[ . 1 . 2]"
1 83 ILE 0.632 0.043 10 0 "[ . 1 . 2]"
1 84 VAL 0.231 0.032 7 0 "[ . 1 . 2]"
1 85 THR 0.028 0.018 2 0 "[ . 1 . 2]"
1 86 LEU 0.189 0.041 13 0 "[ . 1 . 2]"
1 87 LYS 0.252 0.038 19 0 "[ . 1 . 2]"
1 88 VAL 0.551 0.048 3 0 "[ . 1 . 2]"
1 89 PHE 0.340 0.084 18 0 "[ . 1 . 2]"
1 90 ALA 0.112 0.055 20 0 "[ . 1 . 2]"
1 91 VAL 0.323 0.055 20 0 "[ . 1 . 2]"
1 92 ALA 0.679 0.078 5 0 "[ . 1 . 2]"
1 93 GLY 0.034 0.010 6 0 "[ . 1 . 2]"
1 94 LEU 0.740 0.078 5 0 "[ . 1 . 2]"
1 95 LEU 0.027 0.012 7 0 "[ . 1 . 2]"
1 96 ASN 0.213 0.059 10 0 "[ . 1 . 2]"
1 97 MET 0.213 0.059 10 0 "[ . 1 . 2]"
1 98 THR 0.180 0.054 10 0 "[ . 1 . 2]"
1 99 VAL 0.180 0.054 10 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.282 0.064 7 0 "[ . 1 . 2]"
1 102 ALA 0.334 0.044 7 0 "[ . 1 . 2]"
1 103 ALA 0.481 0.064 7 0 "[ . 1 . 2]"
1 104 ALA 0.011 0.004 17 0 "[ . 1 . 2]"
1 105 ALA 0.207 0.038 13 0 "[ . 1 . 2]"
1 106 GLU 0.084 0.030 6 0 "[ . 1 . 2]"
1 107 ASN 0.075 0.030 6 0 "[ . 1 . 2]"
1 108 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 TYR 0.089 0.024 13 0 "[ . 1 . 2]"
1 110 SER 0.143 0.030 6 0 "[ . 1 . 2]"
1 111 GLN 0.249 0.051 6 0 "[ . 1 . 2]"
1 112 MET 0.148 0.035 6 0 "[ . 1 . 2]"
1 113 GLY 0.021 0.008 12 0 "[ . 1 . 2]"
1 114 LEU 0.214 0.051 6 0 "[ . 1 . 2]"
1 115 ASP 0.086 0.009 13 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 6 ARG H 1 7 ASP H . . 2.800 2.744 2.677 2.800 0.000 20 0 "[ . 1 . 2]" 1
2 1 6 ARG H 1 8 TRP H . . 5.000 3.984 3.730 4.559 . 0 0 "[ . 1 . 2]" 1
3 1 6 ARG H 1 9 LYS H . . 5.000 4.952 4.865 5.001 0.001 2 0 "[ . 1 . 2]" 1
4 1 6 ARG HA 1 9 LYS QB . . 5.800 3.164 2.843 3.646 . 0 0 "[ . 1 . 2]" 1
5 1 6 ARG HA 1 10 MET H . . 5.000 3.980 3.740 4.224 . 0 0 "[ . 1 . 2]" 1
6 1 7 ASP H 1 8 TRP H . . 2.800 2.677 2.469 2.784 . 0 0 "[ . 1 . 2]" 1
7 1 7 ASP H 1 9 LYS H . . 5.000 4.649 4.111 4.888 . 0 0 "[ . 1 . 2]" 1
8 1 7 ASP H 1 10 MET H . . 5.000 4.770 4.590 4.929 . 0 0 "[ . 1 . 2]" 1
9 1 7 ASP HA 1 10 MET QB . . 5.800 2.500 2.335 2.670 . 0 0 "[ . 1 . 2]" 1
10 1 8 TRP H 1 9 LYS H . . 2.800 2.794 2.714 2.805 0.005 5 0 "[ . 1 . 2]" 1
11 1 8 TRP H 1 10 MET H . . 5.000 3.867 3.588 4.306 . 0 0 "[ . 1 . 2]" 1
12 1 8 TRP H 1 11 ALA H . . 5.000 4.568 4.392 4.809 . 0 0 "[ . 1 . 2]" 1
13 1 8 TRP HA 1 11 ALA MB . . 5.500 2.852 2.509 3.240 . 0 0 "[ . 1 . 2]" 1
14 1 8 TRP HA 1 12 ILE H . . 5.000 4.352 4.129 4.445 . 0 0 "[ . 1 . 2]" 1
15 1 8 TRP HD1 1 9 LYS H . . 5.000 4.211 3.888 4.788 . 0 0 "[ . 1 . 2]" 1
16 1 8 TRP HH2 1 34 PHE QR . . 7.300 2.620 2.049 3.421 . 0 0 "[ . 1 . 2]" 1
17 1 8 TRP HH2 1 34 PHE HZ . . 5.000 2.607 2.268 3.228 . 0 0 "[ . 1 . 2]" 1
18 1 8 TRP HH2 1 38 ILE MD . . 5.500 2.763 1.896 3.422 . 0 0 "[ . 1 . 2]" 1
19 1 8 TRP HZ2 1 12 ILE MD . . 5.500 4.114 3.273 4.436 . 0 0 "[ . 1 . 2]" 1
20 1 8 TRP HZ2 1 38 ILE MD . . 5.500 3.955 3.153 4.476 . 0 0 "[ . 1 . 2]" 1
21 1 8 TRP HZ3 1 34 PHE QE . . 5.000 4.065 3.781 4.409 . 0 0 "[ . 1 . 2]" 1
22 1 8 TRP HZ3 1 89 PHE QE . . 3.300 2.995 2.592 3.384 0.084 18 0 "[ . 1 . 2]" 1
23 1 8 TRP HZ3 1 89 PHE HZ . . 3.300 2.332 2.133 2.554 . 0 0 "[ . 1 . 2]" 1
24 1 9 LYS H 1 10 MET H . . 2.800 2.706 2.573 2.787 . 0 0 "[ . 1 . 2]" 1
25 1 9 LYS H 1 11 ALA H . . 5.000 4.213 3.903 4.652 . 0 0 "[ . 1 . 2]" 1
26 1 9 LYS H 1 12 ILE H . . 5.000 5.001 4.923 5.021 0.021 5 0 "[ . 1 . 2]" 1
27 1 9 LYS HA 1 13 LYS H . . 5.000 3.925 3.565 4.330 . 0 0 "[ . 1 . 2]" 1
28 1 10 MET H 1 11 ALA H . . 2.800 2.588 2.478 2.673 . 0 0 "[ . 1 . 2]" 1
29 1 10 MET H 1 12 ILE H . . 5.000 4.253 3.952 4.651 . 0 0 "[ . 1 . 2]" 1
30 1 10 MET H 1 13 LYS H . . 5.000 4.711 4.486 4.998 . 0 0 "[ . 1 . 2]" 1
31 1 10 MET HA 1 13 LYS QB . . 5.800 2.514 2.166 2.948 . 0 0 "[ . 1 . 2]" 1
32 1 10 MET HA 1 14 ARG H . . 5.000 3.849 3.274 4.313 . 0 0 "[ . 1 . 2]" 1
33 1 11 ALA H 1 12 ILE H . . 2.800 2.712 2.614 2.800 . 0 0 "[ . 1 . 2]" 1
34 1 11 ALA H 1 13 LYS H . . 5.000 4.144 3.779 4.539 . 0 0 "[ . 1 . 2]" 1
35 1 11 ALA H 1 14 ARG H . . 5.000 4.733 4.594 4.971 . 0 0 "[ . 1 . 2]" 1
36 1 11 ALA HA 1 14 ARG QB . . 5.800 2.995 2.547 3.567 . 0 0 "[ . 1 . 2]" 1
37 1 11 ALA HA 1 15 CYS H . . 5.000 4.057 3.509 4.384 . 0 0 "[ . 1 . 2]" 1
38 1 11 ALA HA 1 93 GLY QA . . 4.600 2.724 1.994 3.272 . 0 0 "[ . 1 . 2]" 1
39 1 11 ALA MB 1 89 PHE QD . . 5.500 3.405 3.237 3.744 . 0 0 "[ . 1 . 2]" 1
40 1 11 ALA MB 1 89 PHE QE . . 5.500 2.100 1.957 2.418 . 0 0 "[ . 1 . 2]" 1
41 1 11 ALA MB 1 89 PHE HZ . . 5.500 2.747 2.249 3.545 . 0 0 "[ . 1 . 2]" 1
42 1 11 ALA MB 1 93 GLY QA . . 4.100 2.595 2.085 2.972 . 0 0 "[ . 1 . 2]" 1
43 1 11 ALA MB 1 94 LEU QD . . 7.000 4.085 3.764 4.173 . 0 0 "[ . 1 . 2]" 1
44 1 12 ILE H 1 13 LYS H . . 2.800 2.603 2.425 2.805 0.005 11 0 "[ . 1 . 2]" 1
45 1 12 ILE H 1 14 ARG H . . 5.000 4.078 3.765 4.357 . 0 0 "[ . 1 . 2]" 1
46 1 12 ILE H 1 15 CYS H . . 5.000 4.781 4.474 5.003 0.003 2 0 "[ . 1 . 2]" 1
47 1 12 ILE HA 1 15 CYS QB . . 5.800 2.974 2.000 4.118 . 0 0 "[ . 1 . 2]" 1
48 1 12 ILE MD 1 31 GLU HA . . 3.300 2.367 2.266 2.624 . 0 0 "[ . 1 . 2]" 1
49 1 12 ILE MD 1 34 PHE QD . . 5.500 2.251 1.946 3.105 . 0 0 "[ . 1 . 2]" 1
50 1 12 ILE MG 1 31 GLU HA . . 3.300 2.485 2.099 2.636 . 0 0 "[ . 1 . 2]" 1
51 1 13 LYS H 1 14 ARG H . . 2.800 2.711 2.581 2.801 0.001 10 0 "[ . 1 . 2]" 1
52 1 13 LYS H 1 15 CYS H . . 5.000 4.366 3.986 4.832 . 0 0 "[ . 1 . 2]" 1
53 1 13 LYS H 1 16 SER H . . 5.000 4.740 4.535 4.958 . 0 0 "[ . 1 . 2]" 1
54 1 13 LYS HA 1 16 SER QB . . 5.800 2.660 2.234 3.352 . 0 0 "[ . 1 . 2]" 1
55 1 14 ARG H 1 15 CYS H . . 2.800 2.659 2.303 2.802 0.002 13 0 "[ . 1 . 2]" 1
56 1 15 CYS H 1 16 SER H . . 2.800 2.639 2.578 2.768 . 0 0 "[ . 1 . 2]" 1
57 1 15 CYS HA 1 88 VAL QG . . 6.500 3.701 2.765 4.539 . 0 0 "[ . 1 . 2]" 1
58 1 15 CYS HA 1 92 ALA MB . . 5.500 2.990 1.989 3.978 . 0 0 "[ . 1 . 2]" 1
59 1 16 SER H 1 17 ASN H . . 2.800 2.681 2.573 2.746 . 0 0 "[ . 1 . 2]" 1
60 1 17 ASN H 1 18 VAL H . . 2.800 2.681 2.282 2.812 0.012 11 0 "[ . 1 . 2]" 1
61 1 18 VAL HA 1 19 ALA H . . 2.700 2.173 2.140 2.248 . 0 0 "[ . 1 . 2]" 1
62 1 18 VAL HA 1 100 SER HA . . 5.000 4.000 3.331 4.712 . 0 0 "[ . 1 . 2]" 1
63 1 18 VAL QG 1 29 PHE QD . . 8.800 3.153 2.010 4.807 . 0 0 "[ . 1 . 2]" 1
64 1 18 VAL QG 1 88 VAL QG . . 8.000 1.890 1.660 2.332 . 0 0 "[ . 1 . 2]" 1
65 1 18 VAL QG 1 92 ALA MB . . 7.000 2.930 2.426 4.025 . 0 0 "[ . 1 . 2]" 1
66 1 18 VAL QG 1 99 VAL QG . . 8.000 1.972 1.643 2.756 . 0 0 "[ . 1 . 2]" 1
67 1 18 VAL QG 1 101 THR CA . . 6.500 2.891 2.441 3.397 . 0 0 "[ . 1 . 2]" 1
68 1 18 VAL QG 1 102 ALA CB . . 6.000 3.681 2.956 4.369 . 0 0 "[ . 1 . 2]" 1
69 1 19 ALA H 1 101 THR HA . . 2.700 2.506 2.205 2.706 0.006 6 0 "[ . 1 . 2]" 1
70 1 19 ALA HA 1 20 VAL H . . 2.700 2.249 2.142 2.647 . 0 0 "[ . 1 . 2]" 1
71 1 19 ALA HA 1 28 LYS HA . . 2.700 2.446 1.987 2.705 0.005 13 0 "[ . 1 . 2]" 1
72 1 19 ALA HA 1 29 PHE H . . 5.000 4.165 3.800 4.477 . 0 0 "[ . 1 . 2]" 1
73 1 19 ALA MB 1 101 THR HA . . 3.800 2.502 1.955 3.002 . 0 0 "[ . 1 . 2]" 1
74 1 19 ALA MB 1 101 THR MG . . 3.800 2.085 1.852 2.334 . 0 0 "[ . 1 . 2]" 1
75 1 20 VAL H 1 20 VAL QG . . 3.200 2.014 1.886 2.250 . 0 0 "[ . 1 . 2]" 1
76 1 20 VAL H 1 21 GLY H . . 2.700 2.495 1.894 2.705 0.005 1 0 "[ . 1 . 2]" 1
77 1 20 VAL H 1 28 LYS HA . . 3.200 2.656 1.973 3.201 0.001 14 0 "[ . 1 . 2]" 1
78 1 20 VAL HA 1 29 PHE QR . . 5.800 3.408 2.441 4.710 . 0 0 "[ . 1 . 2]" 1
79 1 20 VAL QG 1 29 PHE QR . . 6.100 2.314 1.858 2.941 . 0 0 "[ . 1 . 2]" 1
80 1 20 VAL QG 1 102 ALA MB . . 5.300 2.805 2.280 3.180 . 0 0 "[ . 1 . 2]" 1
81 1 21 GLY HA2 1 22 VAL H . . 2.700 2.534 2.434 2.682 . 0 0 "[ . 1 . 2]" 1
82 1 21 GLY HA3 1 22 VAL H . . 2.700 2.595 2.450 2.702 0.002 11 0 "[ . 1 . 2]" 1
83 1 22 VAL H 1 23 GLY H . . 2.700 2.224 1.902 2.637 . 0 0 "[ . 1 . 2]" 1
84 1 27 LYS HA 1 28 LYS H . . 2.700 2.351 2.143 2.605 . 0 0 "[ . 1 . 2]" 1
85 1 28 LYS HA 1 29 PHE H . . 2.700 2.443 2.226 2.646 . 0 0 "[ . 1 . 2]" 1
86 1 29 PHE HA 1 30 GLY H . . 2.700 2.411 2.147 2.647 . 0 0 "[ . 1 . 2]" 1
87 1 29 PHE QR 1 102 ALA MB . . 7.800 2.618 1.895 3.978 . 0 0 "[ . 1 . 2]" 1
88 1 29 PHE QD 1 34 PHE QD . . 6.900 4.570 3.965 5.210 . 0 0 "[ . 1 . 2]" 1
89 1 29 PHE QD 1 85 THR MG . . 6.100 3.988 3.495 4.430 . 0 0 "[ . 1 . 2]" 1
90 1 29 PHE QE 1 85 THR HA . . 7.300 3.183 2.050 4.210 . 0 0 "[ . 1 . 2]" 1
91 1 29 PHE HZ 1 84 VAL QG . . 6.500 3.923 3.023 4.741 . 0 0 "[ . 1 . 2]" 1
92 1 30 GLY HA2 1 31 GLU H . . 2.700 2.544 2.419 2.753 0.053 19 0 "[ . 1 . 2]" 1
93 1 30 GLY HA3 1 31 GLU H . . 2.700 2.592 2.390 2.720 0.020 6 0 "[ . 1 . 2]" 1
94 1 31 GLU H 1 32 GLY H . . 2.800 2.655 2.297 2.832 0.032 19 0 "[ . 1 . 2]" 1
95 1 31 GLU HA 1 34 PHE QB . . 5.800 2.620 2.403 2.854 . 0 0 "[ . 1 . 2]" 1
96 1 31 GLU HA 1 35 ARG H . . 5.000 4.259 3.689 4.421 . 0 0 "[ . 1 . 2]" 1
97 1 32 GLY H 1 33 ASN H . . 2.800 2.809 2.697 2.836 0.036 13 0 "[ . 1 . 2]" 1
98 1 33 ASN H 1 34 PHE H . . 2.800 2.690 2.588 2.768 . 0 0 "[ . 1 . 2]" 1
99 1 33 ASN H 1 35 ARG H . . 5.000 4.307 4.048 4.745 . 0 0 "[ . 1 . 2]" 1
100 1 33 ASN H 1 36 TRP H . . 5.000 4.976 4.766 5.013 0.013 8 0 "[ . 1 . 2]" 1
101 1 33 ASN HA 1 36 TRP QB . . 5.800 2.658 2.337 2.812 . 0 0 "[ . 1 . 2]" 1
102 1 33 ASN HA 1 37 ALA H . . 5.000 4.295 4.057 4.433 . 0 0 "[ . 1 . 2]" 1
103 1 34 PHE H 1 35 ARG H . . 2.800 2.787 2.681 2.843 0.043 10 0 "[ . 1 . 2]" 1
104 1 34 PHE H 1 36 TRP H . . 5.000 4.421 3.699 4.567 . 0 0 "[ . 1 . 2]" 1
105 1 34 PHE H 1 37 ALA H . . 5.000 4.862 4.760 4.946 . 0 0 "[ . 1 . 2]" 1
106 1 34 PHE H 1 85 THR MG . . 5.500 4.429 4.311 4.467 . 0 0 "[ . 1 . 2]" 1
107 1 34 PHE HA 1 37 ALA MB . . 5.500 2.808 2.659 3.389 . 0 0 "[ . 1 . 2]" 1
108 1 34 PHE HA 1 38 ILE H . . 5.000 3.814 3.677 4.340 . 0 0 "[ . 1 . 2]" 1
109 1 34 PHE HA 1 85 THR MG . . 3.800 2.068 1.952 2.124 . 0 0 "[ . 1 . 2]" 1
110 1 34 PHE QD 1 89 PHE QD . . 5.000 3.769 3.625 3.938 . 0 0 "[ . 1 . 2]" 1
111 1 34 PHE QD 1 89 PHE QE . . 5.000 4.226 4.005 4.454 . 0 0 "[ . 1 . 2]" 1
112 1 34 PHE HZ 1 89 PHE QD . . 5.000 3.652 3.314 3.975 . 0 0 "[ . 1 . 2]" 1
113 1 35 ARG H 1 36 TRP H . . 2.800 2.772 2.623 2.818 0.018 19 0 "[ . 1 . 2]" 1
114 1 35 ARG H 1 37 ALA H . . 5.000 4.007 3.865 4.689 . 0 0 "[ . 1 . 2]" 1
115 1 35 ARG H 1 38 ILE H . . 5.000 4.815 4.641 4.949 . 0 0 "[ . 1 . 2]" 1
116 1 36 TRP H 1 37 ALA H . . 2.800 2.758 2.703 2.812 0.012 7 0 "[ . 1 . 2]" 1
117 1 36 TRP H 1 38 ILE H . . 5.000 4.709 3.799 4.927 . 0 0 "[ . 1 . 2]" 1
118 1 36 TRP H 1 39 ARG H . . 5.000 4.796 4.723 5.023 0.023 8 0 "[ . 1 . 2]" 1
119 1 36 TRP HA 1 39 ARG QB . . 5.800 3.039 2.819 4.264 . 0 0 "[ . 1 . 2]" 1
120 1 36 TRP HA 1 40 MET H . . 5.000 3.763 3.664 4.152 . 0 0 "[ . 1 . 2]" 1
121 1 36 TRP HE3 1 37 ALA H . . 3.300 2.628 2.241 2.751 . 0 0 "[ . 1 . 2]" 1
122 1 36 TRP HH2 1 78 GLU HA . . 5.000 2.281 1.993 2.739 . 0 0 "[ . 1 . 2]" 1
123 1 36 TRP HH2 1 81 MET QB . . 5.000 2.173 1.974 2.474 . 0 0 "[ . 1 . 2]" 1
124 1 36 TRP HH2 1 82 ALA H . . 3.300 3.324 3.313 3.346 0.046 15 0 "[ . 1 . 2]" 1
125 1 36 TRP HZ3 1 82 ALA H . . 3.300 3.244 3.024 3.330 0.030 12 0 "[ . 1 . 2]" 1
126 1 36 TRP HZ3 1 82 ALA HA . . 3.300 3.124 2.931 3.322 0.022 7 0 "[ . 1 . 2]" 1
127 1 37 ALA H 1 38 ILE H . . 2.800 2.687 2.451 2.783 . 0 0 "[ . 1 . 2]" 1
128 1 37 ALA H 1 39 ARG H . . 5.000 3.776 3.648 4.432 . 0 0 "[ . 1 . 2]" 1
129 1 37 ALA H 1 40 MET H . . 5.000 4.531 4.446 4.916 . 0 0 "[ . 1 . 2]" 1
130 1 37 ALA HA 1 40 MET QB . . 5.800 2.746 2.297 2.895 . 0 0 "[ . 1 . 2]" 1
131 1 37 ALA HA 1 41 ALA H . . 5.000 3.829 3.499 4.207 . 0 0 "[ . 1 . 2]" 1
132 1 37 ALA HA 1 82 ALA MB . . 5.500 2.831 2.327 3.414 . 0 0 "[ . 1 . 2]" 1
133 1 37 ALA MB 1 85 THR HA . . 5.500 4.144 4.107 4.178 . 0 0 "[ . 1 . 2]" 1
134 1 37 ALA MB 1 85 THR MG . . 4.300 1.906 1.809 2.017 . 0 0 "[ . 1 . 2]" 1
135 1 38 ILE H 1 39 ARG H . . 2.800 2.804 2.788 2.833 0.033 8 0 "[ . 1 . 2]" 1
136 1 38 ILE H 1 40 MET H . . 5.000 4.559 4.103 4.679 . 0 0 "[ . 1 . 2]" 1
137 1 38 ILE H 1 41 ALA H . . 5.000 4.795 4.633 4.923 . 0 0 "[ . 1 . 2]" 1
138 1 38 ILE HA 1 41 ALA MB . . 5.500 2.829 2.629 3.148 . 0 0 "[ . 1 . 2]" 1
139 1 38 ILE HA 1 42 ASN H . . 5.000 4.104 3.968 4.312 . 0 0 "[ . 1 . 2]" 1
140 1 39 ARG H 1 40 MET H . . 2.800 2.668 2.605 2.770 . 0 0 "[ . 1 . 2]" 1
141 1 39 ARG H 1 41 ALA H . . 5.000 3.919 3.747 4.353 . 0 0 "[ . 1 . 2]" 1
142 1 39 ARG H 1 42 ASN H . . 5.000 4.590 4.445 4.786 . 0 0 "[ . 1 . 2]" 1
143 1 39 ARG HA 1 42 ASN QB . . 5.800 2.631 2.189 2.951 . 0 0 "[ . 1 . 2]" 1
144 1 39 ARG HA 1 43 VAL H . . 5.000 3.997 3.552 4.353 . 0 0 "[ . 1 . 2]" 1
145 1 40 MET H 1 41 ALA H . . 2.800 2.765 2.726 2.818 0.018 10 0 "[ . 1 . 2]" 1
146 1 40 MET H 1 42 ASN H . . 5.000 4.260 4.039 4.482 . 0 0 "[ . 1 . 2]" 1
147 1 40 MET H 1 43 VAL H . . 5.000 4.989 4.856 5.041 0.041 11 0 "[ . 1 . 2]" 1
148 1 40 MET HA 1 43 VAL HB . . 5.000 3.386 3.038 5.002 0.002 2 0 "[ . 1 . 2]" 1
149 1 40 MET HA 1 44 SER H . . 5.000 4.068 3.917 4.440 . 0 0 "[ . 1 . 2]" 1
150 1 41 ALA H 1 42 ASN H . . 2.800 2.597 2.517 2.783 . 0 0 "[ . 1 . 2]" 1
151 1 41 ALA H 1 43 VAL H . . 5.000 4.363 4.184 4.666 . 0 0 "[ . 1 . 2]" 1
152 1 41 ALA H 1 44 SER H . . 5.000 4.685 4.539 4.873 . 0 0 "[ . 1 . 2]" 1
153 1 41 ALA HA 1 44 SER QB . . 5.800 2.517 2.329 2.985 . 0 0 "[ . 1 . 2]" 1
154 1 41 ALA HA 1 45 THR H . . 5.000 4.522 4.318 4.697 . 0 0 "[ . 1 . 2]" 1
155 1 42 ASN H 1 43 VAL H . . 2.800 2.810 2.799 2.819 0.019 16 0 "[ . 1 . 2]" 1
156 1 42 ASN H 1 44 SER H . . 5.000 4.037 3.918 4.206 . 0 0 "[ . 1 . 2]" 1
157 1 42 ASN H 1 45 THR H . . 5.000 4.863 4.704 5.000 . 0 0 "[ . 1 . 2]" 1
158 1 42 ASN HA 1 47 ARG QB . . 5.800 3.076 2.424 3.449 . 0 0 "[ . 1 . 2]" 1
159 1 43 VAL H 1 44 SER H . . 2.800 2.687 2.646 2.746 . 0 0 "[ . 1 . 2]" 1
160 1 43 VAL H 1 45 THR H . . 5.000 4.034 3.966 4.124 . 0 0 "[ . 1 . 2]" 1
161 1 44 SER H 1 45 THR H . . 2.800 2.627 2.577 2.702 . 0 0 "[ . 1 . 2]" 1
162 1 44 SER QB 1 69 ARG QD . . 5.800 4.061 2.900 4.581 . 0 0 "[ . 1 . 2]" 1
163 1 45 THR H 1 46 GLY H . . 3.300 2.507 2.062 2.827 . 0 0 "[ . 1 . 2]" 1
164 1 45 THR HA 1 45 THR HB . . 2.700 2.578 2.425 2.708 0.008 13 0 "[ . 1 . 2]" 1
165 1 45 THR HA 1 65 ASP QB . . 5.000 4.433 3.736 4.526 . 0 0 "[ . 1 . 2]" 1
166 1 45 THR MG 1 62 VAL QG . . 7.000 2.605 1.937 3.573 . 0 0 "[ . 1 . 2]" 1
167 1 45 THR MG 1 65 ASP QB . . 6.300 2.374 2.056 2.798 . 0 0 "[ . 1 . 2]" 1
168 1 45 THR MG 1 66 LEU HA . . 3.800 3.143 2.928 3.260 . 0 0 "[ . 1 . 2]" 1
169 1 46 GLY H 1 47 ARG H . . 3.300 2.690 2.431 2.824 . 0 0 "[ . 1 . 2]" 1
170 1 47 ARG HA 1 48 GLU H . . 2.700 2.430 2.168 2.780 0.080 11 0 "[ . 1 . 2]" 1
171 1 47 ARG QD 1 62 VAL QG . . 6.300 3.386 2.314 4.070 . 0 0 "[ . 1 . 2]" 1
172 1 48 GLU HA 1 49 PRO HD2 . . 2.700 2.488 2.390 2.510 . 0 0 "[ . 1 . 2]" 1
173 1 49 PRO QB 1 50 GLY H . . 4.100 3.088 2.830 3.471 . 0 0 "[ . 1 . 2]" 1
174 1 49 PRO QD 1 50 GLY H . . 4.100 2.655 2.603 2.700 . 0 0 "[ . 1 . 2]" 1
175 1 50 GLY H 1 51 ASP H . . 5.000 3.538 3.349 3.951 . 0 0 "[ . 1 . 2]" 1
176 1 51 ASP H 1 52 ILE H . . 5.000 3.883 3.267 4.299 . 0 0 "[ . 1 . 2]" 1
177 1 52 ILE HA 1 53 PRO HD2 . . 5.000 2.063 1.988 2.139 . 0 0 "[ . 1 . 2]" 1
178 1 52 ILE HA 1 53 PRO HD3 . . 5.000 2.858 2.262 3.000 . 0 0 "[ . 1 . 2]" 1
179 1 53 PRO HA 1 54 GLU H . . 2.700 2.435 2.157 2.639 . 0 0 "[ . 1 . 2]" 1
180 1 53 PRO QB 1 59 LEU H . . 5.800 4.227 3.601 4.973 . 0 0 "[ . 1 . 2]" 1
181 1 54 GLU H 1 55 THR H . . 5.000 2.487 1.907 3.072 . 0 0 "[ . 1 . 2]" 1
182 1 54 GLU H 1 58 GLN QB . . 5.800 3.437 2.620 4.219 . 0 0 "[ . 1 . 2]" 1
183 1 54 GLU QB 1 58 GLN NE2 . . 5.800 4.955 4.217 5.234 . 0 0 "[ . 1 . 2]" 1
184 1 55 THR H 1 57 ASP H . . 5.000 4.999 4.887 5.025 0.025 11 0 "[ . 1 . 2]" 1
185 1 55 THR H 1 58 GLN H . . 5.000 3.832 3.558 4.059 . 0 0 "[ . 1 . 2]" 1
186 1 55 THR H 1 58 GLN QB . . 5.000 2.502 1.982 2.829 . 0 0 "[ . 1 . 2]" 1
187 1 55 THR H 1 59 LEU H . . 5.000 3.750 3.108 4.208 . 0 0 "[ . 1 . 2]" 1
188 1 55 THR HA 1 56 LEU H . . 2.700 2.220 2.155 2.338 . 0 0 "[ . 1 . 2]" 1
189 1 56 LEU H 1 57 ASP H . . 2.800 2.760 2.669 2.814 0.014 11 0 "[ . 1 . 2]" 1
190 1 56 LEU H 1 58 GLN H . . 5.000 4.311 4.126 4.509 . 0 0 "[ . 1 . 2]" 1
191 1 56 LEU H 1 59 LEU H . . 5.000 4.974 4.739 5.022 0.022 13 0 "[ . 1 . 2]" 1
192 1 56 LEU HA 1 59 LEU QB . . 5.800 2.884 2.658 3.311 . 0 0 "[ . 1 . 2]" 1
193 1 56 LEU HA 1 60 ARG H . . 5.000 3.986 3.679 4.253 . 0 0 "[ . 1 . 2]" 1
194 1 56 LEU QD 1 90 ALA HA . . 6.500 3.971 3.554 4.782 . 0 0 "[ . 1 . 2]" 1
195 1 57 ASP H 1 58 GLN H . . 2.800 2.580 2.459 2.697 . 0 0 "[ . 1 . 2]" 1
196 1 57 ASP H 1 59 LEU H . . 5.000 4.257 4.050 4.523 . 0 0 "[ . 1 . 2]" 1
197 1 57 ASP H 1 60 ARG H . . 5.000 4.747 4.523 4.860 . 0 0 "[ . 1 . 2]" 1
198 1 57 ASP HA 1 60 ARG QB . . 5.800 2.697 2.373 2.919 . 0 0 "[ . 1 . 2]" 1
199 1 57 ASP HA 1 61 LEU H . . 5.000 4.172 3.977 4.421 . 0 0 "[ . 1 . 2]" 1
200 1 58 GLN H 1 59 LEU H . . 2.800 2.707 2.596 2.817 0.017 11 0 "[ . 1 . 2]" 1
201 1 58 GLN H 1 60 ARG H . . 5.000 4.102 3.784 4.381 . 0 0 "[ . 1 . 2]" 1
202 1 58 GLN H 1 61 LEU H . . 5.000 4.787 4.700 4.996 . 0 0 "[ . 1 . 2]" 1
203 1 58 GLN HA 1 61 LEU QB . . 5.800 2.896 2.625 3.436 . 0 0 "[ . 1 . 2]" 1
204 1 58 GLN HA 1 62 VAL H . . 5.000 4.257 3.920 4.472 . 0 0 "[ . 1 . 2]" 1
205 1 59 LEU H 1 60 ARG H . . 2.800 2.707 2.539 2.850 0.050 2 0 "[ . 1 . 2]" 1
206 1 59 LEU H 1 61 LEU H . . 5.000 4.207 3.893 4.587 . 0 0 "[ . 1 . 2]" 1
207 1 59 LEU H 1 62 VAL H . . 5.000 4.906 4.702 5.006 0.006 6 0 "[ . 1 . 2]" 1
208 1 59 LEU H 1 90 ALA MB . . 5.500 4.484 4.432 4.535 . 0 0 "[ . 1 . 2]" 1
209 1 59 LEU HA 1 62 VAL HB . . 5.000 3.202 2.421 4.816 . 0 0 "[ . 1 . 2]" 1
210 1 59 LEU HA 1 63 ILE H . . 5.000 3.991 3.511 4.483 . 0 0 "[ . 1 . 2]" 1
211 1 59 LEU QD 1 89 PHE QD . . 6.500 2.384 1.893 3.127 . 0 0 "[ . 1 . 2]" 1
212 1 59 LEU QD 1 90 ALA HA . . 6.500 2.903 1.933 3.851 . 0 0 "[ . 1 . 2]" 1
213 1 59 LEU QD 1 90 ALA MB . . 7.000 2.161 1.694 2.843 . 0 0 "[ . 1 . 2]" 1
214 1 60 ARG H 1 61 LEU H . . 2.800 2.709 2.487 2.808 0.008 12 0 "[ . 1 . 2]" 1
215 1 60 ARG H 1 62 VAL H . . 5.000 4.329 3.960 4.786 . 0 0 "[ . 1 . 2]" 1
216 1 60 ARG H 1 63 ILE H . . 5.000 4.831 4.701 4.946 . 0 0 "[ . 1 . 2]" 1
217 1 60 ARG HA 1 64 CYS H . . 5.000 4.171 3.819 4.499 . 0 0 "[ . 1 . 2]" 1
218 1 61 LEU H 1 62 VAL H . . 2.800 2.713 2.522 2.809 0.009 7 0 "[ . 1 . 2]" 1
219 1 61 LEU H 1 63 ILE H . . 5.000 4.193 3.722 4.501 . 0 0 "[ . 1 . 2]" 1
220 1 61 LEU H 1 64 CYS H . . 5.000 4.716 4.470 5.004 0.004 2 0 "[ . 1 . 2]" 1
221 1 61 LEU HA 1 64 CYS QB . . 5.800 2.706 2.418 2.980 . 0 0 "[ . 1 . 2]" 1
222 1 61 LEU HA 1 65 ASP H . . 5.000 4.184 3.755 4.506 . 0 0 "[ . 1 . 2]" 1
223 1 61 LEU MD1 1 65 ASP H . . 5.000 3.732 3.374 3.990 . 0 0 "[ . 1 . 2]" 1
224 1 62 VAL H 1 63 ILE H . . 2.800 2.747 2.644 2.817 0.017 5 0 "[ . 1 . 2]" 1
225 1 62 VAL H 1 64 CYS H . . 5.000 4.084 3.822 4.559 . 0 0 "[ . 1 . 2]" 1
226 1 62 VAL H 1 65 ASP H . . 5.000 4.966 4.740 5.015 0.015 7 0 "[ . 1 . 2]" 1
227 1 62 VAL HA 1 65 ASP H . . 5.000 3.698 3.390 3.892 . 0 0 "[ . 1 . 2]" 1
228 1 62 VAL HA 1 65 ASP QB . . 5.800 3.242 2.836 3.488 . 0 0 "[ . 1 . 2]" 1
229 1 62 VAL HA 1 66 LEU H . . 5.000 3.878 3.567 4.265 . 0 0 "[ . 1 . 2]" 1
230 1 63 ILE H 1 64 CYS H . . 2.800 2.667 2.525 2.801 0.001 12 0 "[ . 1 . 2]" 1
231 1 63 ILE H 1 65 ASP H . . 5.000 4.496 4.032 4.778 . 0 0 "[ . 1 . 2]" 1
232 1 63 ILE H 1 66 LEU H . . 5.000 4.801 4.613 5.029 0.029 5 0 "[ . 1 . 2]" 1
233 1 63 ILE H 1 86 LEU MD1 . . 5.500 3.713 2.954 4.296 . 0 0 "[ . 1 . 2]" 1
234 1 63 ILE HA 1 66 LEU QB . . 5.800 2.696 2.164 4.089 . 0 0 "[ . 1 . 2]" 1
235 1 63 ILE HA 1 67 GLN H . . 5.000 3.876 3.456 4.382 . 0 0 "[ . 1 . 2]" 1
236 1 63 ILE HA 1 86 LEU MD1 . . 5.500 3.716 2.599 4.466 . 0 0 "[ . 1 . 2]" 1
237 1 63 ILE MD 1 87 LYS H . . 5.500 3.551 2.553 4.342 . 0 0 "[ . 1 . 2]" 1
238 1 63 ILE MD 1 87 LYS HA . . 5.500 2.802 1.929 3.955 . 0 0 "[ . 1 . 2]" 1
239 1 63 ILE MD 1 109 TYR QE . . 5.500 2.829 1.875 4.090 . 0 0 "[ . 1 . 2]" 1
240 1 63 ILE MG 1 109 TYR QE . . 5.500 3.076 2.419 3.819 . 0 0 "[ . 1 . 2]" 1
241 1 64 CYS H 1 65 ASP H . . 2.800 2.761 2.644 2.809 0.009 2 0 "[ . 1 . 2]" 1
242 1 64 CYS H 1 66 LEU H . . 5.000 4.119 3.683 4.478 . 0 0 "[ . 1 . 2]" 1
243 1 64 CYS H 1 67 GLN H . . 5.000 4.594 4.480 4.812 . 0 0 "[ . 1 . 2]" 1
244 1 64 CYS HA 1 67 GLN H . . 5.000 3.688 3.482 3.867 . 0 0 "[ . 1 . 2]" 1
245 1 64 CYS HA 1 67 GLN QB . . 5.800 2.810 2.408 3.277 . 0 0 "[ . 1 . 2]" 1
246 1 64 CYS HA 1 68 GLU H . . 5.000 4.295 3.748 4.429 . 0 0 "[ . 1 . 2]" 1
247 1 65 ASP H 1 66 LEU H . . 2.800 2.724 2.506 2.830 0.030 5 0 "[ . 1 . 2]" 1
248 1 65 ASP H 1 67 GLN H . . 5.000 4.077 3.828 4.379 . 0 0 "[ . 1 . 2]" 1
249 1 65 ASP H 1 68 GLU H . . 5.000 4.952 4.852 5.009 0.009 13 0 "[ . 1 . 2]" 1
250 1 65 ASP HA 1 68 GLU QB . . 5.800 3.015 2.784 3.449 . 0 0 "[ . 1 . 2]" 1
251 1 65 ASP HA 1 69 ARG H . . 5.000 4.261 3.666 4.479 . 0 0 "[ . 1 . 2]" 1
252 1 66 LEU H 1 67 GLN H . . 2.800 2.684 2.498 2.801 0.001 6 0 "[ . 1 . 2]" 1
253 1 66 LEU H 1 68 GLU H . . 5.000 4.447 4.113 4.859 . 0 0 "[ . 1 . 2]" 1
254 1 66 LEU H 1 69 ARG H . . 5.000 4.917 4.667 5.014 0.014 5 0 "[ . 1 . 2]" 1
255 1 66 LEU HA 1 69 ARG QB . . 5.800 2.803 2.466 3.032 . 0 0 "[ . 1 . 2]" 1
256 1 66 LEU HA 1 70 ARG H . . 5.000 3.926 3.522 4.175 . 0 0 "[ . 1 . 2]" 1
257 1 66 LEU QD 1 82 ALA MB . . 7.000 2.494 1.874 4.018 . 0 0 "[ . 1 . 2]" 1
258 1 66 LEU QD 1 83 ILE HA . . 6.500 2.615 1.953 3.408 . 0 0 "[ . 1 . 2]" 1
259 1 67 GLN H 1 68 GLU H . . 2.800 2.749 2.564 2.826 0.026 5 0 "[ . 1 . 2]" 1
260 1 67 GLN H 1 69 ARG H . . 5.000 4.136 3.767 4.325 . 0 0 "[ . 1 . 2]" 1
261 1 67 GLN H 1 70 ARG H . . 5.000 4.629 4.487 4.883 . 0 0 "[ . 1 . 2]" 1
262 1 67 GLN HA 1 70 ARG QB . . 5.800 2.703 2.295 3.964 . 0 0 "[ . 1 . 2]" 1
263 1 67 GLN HA 1 71 GLU H . . 5.500 4.193 3.798 4.395 . 0 0 "[ . 1 . 2]" 1
264 1 67 GLN HA 1 83 ILE MD . . 3.800 2.776 2.034 3.196 . 0 0 "[ . 1 . 2]" 1
265 1 68 GLU H 1 69 ARG H . . 2.800 2.766 2.618 2.817 0.017 7 0 "[ . 1 . 2]" 1
266 1 68 GLU H 1 70 ARG H . . 5.000 4.215 3.908 4.733 . 0 0 "[ . 1 . 2]" 1
267 1 68 GLU H 1 71 GLU H . . 5.000 4.893 4.588 5.056 0.056 5 0 "[ . 1 . 2]" 1
268 1 68 GLU HA 1 71 GLU QB . . 5.800 3.070 2.467 3.446 . 0 0 "[ . 1 . 2]" 1
269 1 68 GLU HA 1 72 LYS H . . 5.000 4.242 4.052 4.365 . 0 0 "[ . 1 . 2]" 1
270 1 69 ARG H 1 70 ARG H . . 2.800 2.635 2.485 2.838 0.038 14 0 "[ . 1 . 2]" 1
271 1 69 ARG H 1 71 GLU H . . 5.000 4.119 3.767 4.422 . 0 0 "[ . 1 . 2]" 1
272 1 69 ARG H 1 72 LYS H . . 5.000 4.974 4.862 5.009 0.009 5 0 "[ . 1 . 2]" 1
273 1 69 ARG HA 1 72 LYS QB . . 5.800 2.931 2.474 3.480 . 0 0 "[ . 1 . 2]" 1
274 1 69 ARG QB 1 79 ILE MD . . 5.500 3.866 2.875 4.132 . 0 0 "[ . 1 . 2]" 1
275 1 70 ARG H 1 71 GLU H . . 2.800 2.713 2.624 2.800 . 0 0 "[ . 1 . 2]" 1
276 1 70 ARG H 1 72 LYS H . . 5.000 4.519 4.263 4.842 . 0 0 "[ . 1 . 2]" 1
277 1 70 ARG H 1 79 ILE MD . . 5.500 4.051 3.037 4.429 . 0 0 "[ . 1 . 2]" 1
278 1 70 ARG HA 1 79 ILE MD . . 5.500 2.653 2.034 3.397 . 0 0 "[ . 1 . 2]" 1
279 1 70 ARG HA 1 79 ILE MG . . 5.500 3.200 1.972 4.357 . 0 0 "[ . 1 . 2]" 1
280 1 71 GLU H 1 72 LYS H . . 2.800 2.729 2.617 2.877 0.077 3 0 "[ . 1 . 2]" 1
281 1 71 GLU H 1 73 PHE H . . 5.000 3.780 3.627 3.960 . 0 0 "[ . 1 . 2]" 1
282 1 72 LYS H 1 73 PHE H . . 2.800 2.682 2.566 2.806 0.006 7 0 "[ . 1 . 2]" 1
283 1 72 LYS H 1 74 GLY H . . 5.000 4.013 3.896 4.153 . 0 0 "[ . 1 . 2]" 1
284 1 74 GLY HA2 1 75 SER H . . 2.700 2.543 2.422 2.760 0.060 17 0 "[ . 1 . 2]" 1
285 1 74 GLY HA3 1 75 SER H . . 2.700 2.591 2.384 2.713 0.013 13 0 "[ . 1 . 2]" 1
286 1 75 SER HA 1 76 SER H . . 2.700 2.231 2.139 2.370 . 0 0 "[ . 1 . 2]" 1
287 1 76 SER H 1 78 GLU H . . 5.000 5.009 4.990 5.046 0.046 5 0 "[ . 1 . 2]" 1
288 1 76 SER H 1 80 ASP H . . 5.000 3.884 3.510 4.560 . 0 0 "[ . 1 . 2]" 1
289 1 76 SER HA 1 80 ASP H . . 5.000 4.997 4.875 5.031 0.031 12 0 "[ . 1 . 2]" 1
290 1 77 LYS H 1 78 GLU H . . 2.800 2.697 2.628 2.772 . 0 0 "[ . 1 . 2]" 1
291 1 77 LYS H 1 79 ILE H . . 5.000 4.770 4.441 5.013 0.013 8 0 "[ . 1 . 2]" 1
292 1 77 LYS H 1 80 ASP H . . 5.000 4.775 4.623 4.864 . 0 0 "[ . 1 . 2]" 1
293 1 77 LYS HA 1 80 ASP QB . . 5.800 2.400 2.149 2.674 . 0 0 "[ . 1 . 2]" 1
294 1 77 LYS HA 1 81 MET H . . 5.000 3.774 3.421 4.110 . 0 0 "[ . 1 . 2]" 1
295 1 78 GLU H 1 79 ILE H . . 2.800 2.784 2.593 2.899 0.099 8 0 "[ . 1 . 2]" 1
296 1 78 GLU H 1 80 ASP H . . 5.000 3.793 3.629 4.101 . 0 0 "[ . 1 . 2]" 1
297 1 78 GLU H 1 81 MET H . . 5.000 4.672 4.524 4.962 . 0 0 "[ . 1 . 2]" 1
298 1 78 GLU HA 1 81 MET H . . 5.000 3.862 3.488 4.138 . 0 0 "[ . 1 . 2]" 1
299 1 78 GLU HA 1 81 MET QB . . 5.800 3.248 2.920 3.636 . 0 0 "[ . 1 . 2]" 1
300 1 78 GLU HA 1 82 ALA H . . 5.000 4.390 4.195 4.524 . 0 0 "[ . 1 . 2]" 1
301 1 79 ILE H 1 80 ASP H . . 2.800 2.642 2.545 2.772 . 0 0 "[ . 1 . 2]" 1
302 1 79 ILE H 1 81 MET H . . 5.000 4.428 4.162 4.815 . 0 0 "[ . 1 . 2]" 1
303 1 79 ILE H 1 82 ALA H . . 5.000 4.893 4.779 5.003 0.003 5 0 "[ . 1 . 2]" 1
304 1 79 ILE HA 1 82 ALA H . . 5.000 3.502 3.284 3.695 . 0 0 "[ . 1 . 2]" 1
305 1 79 ILE HA 1 82 ALA MB . . 5.500 2.559 2.182 2.798 . 0 0 "[ . 1 . 2]" 1
306 1 79 ILE HA 1 83 ILE H . . 5.000 4.086 3.893 4.395 . 0 0 "[ . 1 . 2]" 1
307 1 80 ASP H 1 81 MET H . . 2.800 2.760 2.586 2.831 0.031 8 0 "[ . 1 . 2]" 1
308 1 80 ASP H 1 82 ALA H . . 5.000 4.115 3.714 4.529 . 0 0 "[ . 1 . 2]" 1
309 1 80 ASP H 1 83 ILE H . . 5.000 4.884 4.779 5.014 0.014 5 0 "[ . 1 . 2]" 1
310 1 80 ASP HA 1 84 VAL H . . 5.000 4.168 3.844 4.461 . 0 0 "[ . 1 . 2]" 1
311 1 81 MET H 1 82 ALA H . . 2.800 2.690 2.560 2.792 . 0 0 "[ . 1 . 2]" 1
312 1 81 MET H 1 83 ILE H . . 5.000 4.373 4.025 4.834 . 0 0 "[ . 1 . 2]" 1
313 1 81 MET H 1 84 VAL H . . 5.000 4.923 4.795 5.010 0.010 11 0 "[ . 1 . 2]" 1
314 1 81 MET HA 1 84 VAL HB . . 5.000 3.002 2.373 4.157 . 0 0 "[ . 1 . 2]" 1
315 1 81 MET HA 1 85 THR H . . 5.000 4.210 3.929 4.456 . 0 0 "[ . 1 . 2]" 1
316 1 82 ALA H 1 83 ILE H . . 2.800 2.803 2.693 2.843 0.043 10 0 "[ . 1 . 2]" 1
317 1 82 ALA H 1 84 VAL H . . 5.000 4.341 3.867 4.689 . 0 0 "[ . 1 . 2]" 1
318 1 82 ALA H 1 85 THR H . . 5.000 4.761 4.581 4.954 . 0 0 "[ . 1 . 2]" 1
319 1 82 ALA HA 1 86 LEU H . . 5.000 4.328 4.044 4.468 . 0 0 "[ . 1 . 2]" 1
320 1 83 ILE H 1 84 VAL H . . 2.800 2.783 2.658 2.832 0.032 7 0 "[ . 1 . 2]" 1
321 1 83 ILE H 1 85 THR H . . 5.000 3.999 3.761 4.294 . 0 0 "[ . 1 . 2]" 1
322 1 83 ILE H 1 86 LEU H . . 5.000 4.960 4.729 5.041 0.041 13 0 "[ . 1 . 2]" 1
323 1 83 ILE HA 1 86 LEU QB . . 5.800 3.161 2.630 4.136 . 0 0 "[ . 1 . 2]" 1
324 1 83 ILE HA 1 87 LYS H . . 5.000 4.363 4.165 4.470 . 0 0 "[ . 1 . 2]" 1
325 1 84 VAL H 1 85 THR H . . 2.800 2.710 2.579 2.818 0.018 2 0 "[ . 1 . 2]" 1
326 1 84 VAL H 1 86 LEU H . . 5.000 4.568 4.255 4.796 . 0 0 "[ . 1 . 2]" 1
327 1 84 VAL H 1 87 LYS H . . 5.000 4.935 4.815 5.026 0.026 3 0 "[ . 1 . 2]" 1
328 1 84 VAL HA 1 87 LYS QB . . 5.800 2.730 2.270 3.222 . 0 0 "[ . 1 . 2]" 1
329 1 84 VAL HA 1 88 VAL H . . 5.000 3.754 3.354 4.005 . 0 0 "[ . 1 . 2]" 1
330 1 84 VAL QG 1 102 ALA MB . . 5.500 1.778 1.723 1.925 . 0 0 "[ . 1 . 2]" 1
331 1 84 VAL QG 1 103 ALA H . . 5.500 3.778 3.606 3.937 . 0 0 "[ . 1 . 2]" 1
332 1 85 THR H 1 86 LEU H . . 2.800 2.711 2.573 2.809 0.009 6 0 "[ . 1 . 2]" 1
333 1 85 THR H 1 87 LYS H . . 5.000 3.910 3.653 4.330 . 0 0 "[ . 1 . 2]" 1
334 1 85 THR H 1 88 VAL H . . 5.000 4.850 4.752 4.937 . 0 0 "[ . 1 . 2]" 1
335 1 85 THR HA 1 88 VAL HB . . 5.000 3.872 2.597 4.848 . 0 0 "[ . 1 . 2]" 1
336 1 85 THR HA 1 89 PHE H . . 5.000 3.812 3.653 4.064 . 0 0 "[ . 1 . 2]" 1
337 1 86 LEU H 1 87 LYS H . . 2.800 2.710 2.589 2.810 0.010 6 0 "[ . 1 . 2]" 1
338 1 86 LEU H 1 88 VAL H . . 5.000 4.763 4.441 4.990 . 0 0 "[ . 1 . 2]" 1
339 1 86 LEU H 1 89 PHE H . . 5.000 4.770 4.674 4.882 . 0 0 "[ . 1 . 2]" 1
340 1 86 LEU HA 1 89 PHE QB . . 5.800 2.707 2.436 3.037 . 0 0 "[ . 1 . 2]" 1
341 1 86 LEU HA 1 90 ALA H . . 5.000 4.016 3.700 4.249 . 0 0 "[ . 1 . 2]" 1
342 1 87 LYS H 1 88 VAL H . . 2.800 2.788 2.689 2.838 0.038 19 0 "[ . 1 . 2]" 1
343 1 87 LYS H 1 89 PHE H . . 5.000 3.749 3.608 4.026 . 0 0 "[ . 1 . 2]" 1
344 1 87 LYS H 1 90 ALA H . . 5.000 4.455 4.338 4.630 . 0 0 "[ . 1 . 2]" 1
345 1 87 LYS HA 1 90 ALA MB . . 5.500 2.675 2.290 3.020 . 0 0 "[ . 1 . 2]" 1
346 1 87 LYS HA 1 91 VAL H . . 5.000 4.074 3.755 4.392 . 0 0 "[ . 1 . 2]" 1
347 1 88 VAL H 1 89 PHE H . . 2.800 2.781 2.706 2.848 0.048 3 0 "[ . 1 . 2]" 1
348 1 88 VAL H 1 90 ALA H . . 5.000 4.271 4.028 4.611 . 0 0 "[ . 1 . 2]" 1
349 1 88 VAL H 1 91 VAL H . . 5.000 4.952 4.812 5.044 0.044 20 0 "[ . 1 . 2]" 1
350 1 88 VAL H 1 105 ALA MB . . 3.800 3.018 2.932 3.130 . 0 0 "[ . 1 . 2]" 1
351 1 88 VAL HA 1 91 VAL HB . . 5.000 3.860 2.990 5.025 0.025 3 0 "[ . 1 . 2]" 1
352 1 88 VAL HA 1 92 ALA H . . 5.000 3.723 3.436 4.077 . 0 0 "[ . 1 . 2]" 1
353 1 88 VAL HA 1 105 ALA MB . . 3.800 1.975 1.899 2.185 . 0 0 "[ . 1 . 2]" 1
354 1 88 VAL QG 1 102 ALA H . . 6.500 3.872 3.678 4.057 . 0 0 "[ . 1 . 2]" 1
355 1 88 VAL QG 1 102 ALA HA . . 4.800 2.077 1.853 2.527 . 0 0 "[ . 1 . 2]" 1
356 1 88 VAL QG 1 102 ALA MB . . 4.800 2.519 2.228 2.709 . 0 0 "[ . 1 . 2]" 1
357 1 89 PHE H 1 90 ALA H . . 2.800 2.503 2.376 2.678 . 0 0 "[ . 1 . 2]" 1
358 1 89 PHE H 1 91 VAL H . . 5.000 4.164 3.969 4.453 . 0 0 "[ . 1 . 2]" 1
359 1 89 PHE H 1 92 ALA H . . 5.000 4.627 4.415 4.797 . 0 0 "[ . 1 . 2]" 1
360 1 89 PHE HA 1 92 ALA MB . . 5.500 2.786 2.224 3.170 . 0 0 "[ . 1 . 2]" 1
361 1 89 PHE HA 1 93 GLY H . . 5.000 3.950 3.613 4.390 . 0 0 "[ . 1 . 2]" 1
362 1 89 PHE QD 1 94 LEU QD . . 7.100 3.842 3.484 4.347 . 0 0 "[ . 1 . 2]" 1
363 1 89 PHE QE 1 94 LEU QD . . 6.500 3.557 3.263 4.077 . 0 0 "[ . 1 . 2]" 1
364 1 90 ALA H 1 91 VAL H . . 2.800 2.691 2.604 2.855 0.055 20 0 "[ . 1 . 2]" 1
365 1 90 ALA H 1 92 ALA H . . 5.000 4.136 3.955 4.352 . 0 0 "[ . 1 . 2]" 1
366 1 90 ALA H 1 93 GLY H . . 5.000 4.551 4.339 4.996 . 0 0 "[ . 1 . 2]" 1
367 1 90 ALA HA 1 94 LEU H . . 5.000 2.979 2.722 3.320 . 0 0 "[ . 1 . 2]" 1
368 1 90 ALA MB 1 109 TYR QD . . 5.500 3.779 3.072 4.300 . 0 0 "[ . 1 . 2]" 1
369 1 90 ALA MB 1 109 TYR QE . . 5.500 2.502 1.897 3.344 . 0 0 "[ . 1 . 2]" 1
370 1 91 VAL H 1 92 ALA H . . 2.800 2.574 2.353 2.699 . 0 0 "[ . 1 . 2]" 1
371 1 91 VAL H 1 93 GLY H . . 5.000 3.677 3.554 3.822 . 0 0 "[ . 1 . 2]" 1
372 1 91 VAL H 1 94 LEU H . . 5.000 4.883 4.706 4.975 . 0 0 "[ . 1 . 2]" 1
373 1 91 VAL QG 1 105 ALA HA . . 4.800 3.352 2.987 3.558 . 0 0 "[ . 1 . 2]" 1
374 1 91 VAL QG 1 105 ALA MB . . 5.300 2.695 1.936 3.114 . 0 0 "[ . 1 . 2]" 1
375 1 91 VAL QG 1 109 TYR H . . 6.500 4.056 3.299 4.803 . 0 0 "[ . 1 . 2]" 1
376 1 91 VAL QG 1 109 TYR QD . . 7.500 2.313 1.874 4.053 . 0 0 "[ . 1 . 2]" 1
377 1 92 ALA H 1 93 GLY H . . 2.800 2.533 2.461 2.631 . 0 0 "[ . 1 . 2]" 1
378 1 92 ALA H 1 94 LEU H . . 5.000 4.944 4.699 5.078 0.078 5 0 "[ . 1 . 2]" 1
379 1 93 GLY H 1 94 LEU H . . 2.800 2.691 2.459 2.810 0.010 6 0 "[ . 1 . 2]" 1
380 1 94 LEU H 1 95 LEU H . . 2.800 2.720 2.558 2.812 0.012 7 0 "[ . 1 . 2]" 1
381 1 95 LEU H 1 96 ASN H . . 2.800 2.402 1.997 2.534 . 0 0 "[ . 1 . 2]" 1
382 1 95 LEU QD 1 112 MET ME . . 6.000 3.298 2.549 3.729 . 0 0 "[ . 1 . 2]" 1
383 1 96 ASN H 1 97 MET H . . 2.800 2.790 2.766 2.859 0.059 10 0 "[ . 1 . 2]" 1
384 1 98 THR HA 1 99 VAL H . . 2.700 2.520 2.141 2.754 0.054 10 0 "[ . 1 . 2]" 1
385 1 99 VAL HA 1 100 SER H . . 2.700 2.329 2.140 2.674 . 0 0 "[ . 1 . 2]" 1
386 1 99 VAL HA 1 104 ALA MB . . 5.500 4.109 3.683 4.485 . 0 0 "[ . 1 . 2]" 1
387 1 99 VAL QG 1 105 ALA H . . 5.500 2.767 2.276 3.512 . 0 0 "[ . 1 . 2]" 1
388 1 99 VAL QG 1 105 ALA HA . . 3.800 2.418 1.958 2.873 . 0 0 "[ . 1 . 2]" 1
389 1 99 VAL QG 1 105 ALA MB . . 4.300 1.824 1.655 2.118 . 0 0 "[ . 1 . 2]" 1
390 1 100 SER H 1 101 THR H . . 2.700 2.350 1.988 2.694 . 0 0 "[ . 1 . 2]" 1
391 1 100 SER QB 1 101 THR MG . . 4.000 2.326 2.129 2.527 . 0 0 "[ . 1 . 2]" 1
392 1 101 THR H 1 103 ALA H . . 5.000 5.010 4.963 5.064 0.064 7 0 "[ . 1 . 2]" 1
393 1 101 THR H 1 104 ALA H . . 5.000 3.685 3.476 4.027 . 0 0 "[ . 1 . 2]" 1
394 1 101 THR H 1 105 ALA H . . 5.000 4.106 3.974 4.372 . 0 0 "[ . 1 . 2]" 1
395 1 101 THR HA 1 102 ALA H . . 2.700 2.297 2.199 2.382 . 0 0 "[ . 1 . 2]" 1
396 1 102 ALA H 1 103 ALA H . . 2.800 2.805 2.780 2.844 0.044 7 0 "[ . 1 . 2]" 1
397 1 102 ALA H 1 104 ALA H . . 5.000 4.406 4.154 4.656 . 0 0 "[ . 1 . 2]" 1
398 1 102 ALA H 1 105 ALA H . . 5.000 4.981 4.898 5.038 0.038 13 0 "[ . 1 . 2]" 1
399 1 102 ALA HA 1 105 ALA MB . . 5.500 2.816 2.510 3.162 . 0 0 "[ . 1 . 2]" 1
400 1 102 ALA HA 1 106 GLU H . . 5.000 4.356 4.137 4.465 . 0 0 "[ . 1 . 2]" 1
401 1 103 ALA H 1 104 ALA H . . 2.800 2.703 2.571 2.793 . 0 0 "[ . 1 . 2]" 1
402 1 103 ALA H 1 105 ALA H . . 5.000 4.114 3.969 4.276 . 0 0 "[ . 1 . 2]" 1
403 1 103 ALA H 1 106 GLU H . . 5.000 4.953 4.776 5.030 0.030 6 0 "[ . 1 . 2]" 1
404 1 103 ALA HA 1 106 GLU QB . . 5.800 3.093 2.553 4.065 . 0 0 "[ . 1 . 2]" 1
405 1 103 ALA HA 1 107 ASN H . . 5.000 4.015 3.771 4.152 . 0 0 "[ . 1 . 2]" 1
406 1 103 ALA MB 1 107 ASN H . . 5.500 4.483 4.357 4.559 . 0 0 "[ . 1 . 2]" 1
407 1 104 ALA H 1 105 ALA H . . 2.800 2.733 2.646 2.804 0.004 17 0 "[ . 1 . 2]" 1
408 1 104 ALA H 1 106 GLU H . . 5.000 4.473 4.243 4.646 . 0 0 "[ . 1 . 2]" 1
409 1 104 ALA H 1 107 ASN H . . 5.000 4.851 4.658 5.004 0.004 17 0 "[ . 1 . 2]" 1
410 1 104 ALA HA 1 107 ASN QB . . 5.800 2.734 2.339 3.104 . 0 0 "[ . 1 . 2]" 1
411 1 104 ALA HA 1 108 MET H . . 5.000 4.094 3.526 4.296 . 0 0 "[ . 1 . 2]" 1
412 1 105 ALA H 1 106 GLU H . . 2.800 2.735 2.630 2.809 0.009 6 0 "[ . 1 . 2]" 1
413 1 105 ALA H 1 107 ASN H . . 5.000 4.124 3.875 4.467 . 0 0 "[ . 1 . 2]" 1
414 1 105 ALA H 1 108 MET H . . 5.000 4.724 4.503 4.876 . 0 0 "[ . 1 . 2]" 1
415 1 105 ALA HA 1 108 MET QB . . 5.800 2.908 2.253 3.472 . 0 0 "[ . 1 . 2]" 1
416 1 105 ALA HA 1 109 TYR H . . 5.000 4.024 3.667 4.456 . 0 0 "[ . 1 . 2]" 1
417 1 106 GLU H 1 107 ASN H . . 2.800 2.745 2.609 2.805 0.005 5 0 "[ . 1 . 2]" 1
418 1 106 GLU H 1 108 MET H . . 5.000 4.200 3.939 4.529 . 0 0 "[ . 1 . 2]" 1
419 1 106 GLU H 1 109 TYR H . . 5.000 4.716 4.602 4.930 . 0 0 "[ . 1 . 2]" 1
420 1 106 GLU HA 1 109 TYR QB . . 5.800 2.658 2.297 3.204 . 0 0 "[ . 1 . 2]" 1
421 1 106 GLU HA 1 110 SER H . . 5.000 4.184 3.756 4.370 . 0 0 "[ . 1 . 2]" 1
422 1 107 ASN H 1 108 MET H . . 2.800 2.711 2.535 2.795 . 0 0 "[ . 1 . 2]" 1
423 1 107 ASN H 1 109 TYR H . . 5.000 4.204 3.834 4.624 . 0 0 "[ . 1 . 2]" 1
424 1 107 ASN H 1 110 SER H . . 5.000 4.947 4.783 5.030 0.030 6 0 "[ . 1 . 2]" 1
425 1 107 ASN HA 1 110 SER QB . . 5.800 3.656 2.970 4.632 . 0 0 "[ . 1 . 2]" 1
426 1 108 MET H 1 109 TYR H . . 2.800 2.602 2.461 2.689 . 0 0 "[ . 1 . 2]" 1
427 1 108 MET H 1 110 SER H . . 5.000 4.170 3.724 4.639 . 0 0 "[ . 1 . 2]" 1
428 1 108 MET H 1 111 GLN H . . 5.000 4.484 4.325 4.684 . 0 0 "[ . 1 . 2]" 1
429 1 108 MET HA 1 111 GLN QB . . 5.800 2.118 1.985 2.655 . 0 0 "[ . 1 . 2]" 1
430 1 108 MET HA 1 112 MET H . . 5.000 3.866 3.457 4.195 . 0 0 "[ . 1 . 2]" 1
431 1 108 MET ME 1 109 TYR HA . . 5.500 3.691 2.231 4.573 . 0 0 "[ . 1 . 2]" 1
432 1 108 MET ME 1 114 LEU MD1 . . 6.000 3.389 2.166 4.087 . 0 0 "[ . 1 . 2]" 1
433 1 109 TYR H 1 110 SER H . . 2.800 2.784 2.693 2.824 0.024 13 0 "[ . 1 . 2]" 1
434 1 109 TYR H 1 111 GLN H . . 5.000 4.017 3.849 4.174 . 0 0 "[ . 1 . 2]" 1
435 1 109 TYR H 1 112 MET H . . 5.000 4.833 4.562 5.022 0.022 6 0 "[ . 1 . 2]" 1
436 1 109 TYR HA 1 112 MET QB . . 5.800 3.372 2.729 4.138 . 0 0 "[ . 1 . 2]" 1
437 1 109 TYR HA 1 114 LEU QD . . 3.800 1.969 1.898 2.424 . 0 0 "[ . 1 . 2]" 1
438 1 109 TYR QD 1 114 LEU MD1 . . 5.600 2.775 2.109 3.345 . 0 0 "[ . 1 . 2]" 1
439 1 109 TYR QD 1 115 ASP H . . 7.300 3.496 2.596 6.707 . 0 0 "[ . 1 . 2]" 1
440 1 109 TYR QE 1 114 LEU MD1 . . 5.600 3.213 2.480 3.924 . 0 0 "[ . 1 . 2]" 1
441 1 110 SER H 1 111 GLN H . . 2.800 2.380 2.163 2.639 . 0 0 "[ . 1 . 2]" 1
442 1 110 SER H 1 112 MET H . . 5.000 3.985 3.717 4.319 . 0 0 "[ . 1 . 2]" 1
443 1 110 SER H 1 113 GLY H . . 5.000 4.859 4.677 5.008 0.008 12 0 "[ . 1 . 2]" 1
444 1 111 GLN H 1 112 MET H . . 2.800 2.649 2.537 2.835 0.035 6 0 "[ . 1 . 2]" 1
445 1 111 GLN H 1 113 GLY H . . 5.000 3.935 3.719 4.109 . 0 0 "[ . 1 . 2]" 1
446 1 111 GLN H 1 114 LEU H . . 5.000 5.011 5.000 5.051 0.051 6 0 "[ . 1 . 2]" 1
447 1 112 MET H 1 113 GLY H . . 2.800 2.443 2.304 2.633 . 0 0 "[ . 1 . 2]" 1
448 1 112 MET H 1 114 LEU H . . 5.000 3.618 3.204 3.861 . 0 0 "[ . 1 . 2]" 1
449 1 112 MET H 1 115 ASP H . . 5.000 4.997 4.861 5.009 0.009 13 0 "[ . 1 . 2]" 1
450 1 113 GLY H 1 114 LEU H . . 2.800 2.267 2.053 2.797 . 0 0 "[ . 1 . 2]" 1
451 1 113 GLY H 1 115 ASP H . . 5.000 3.775 3.533 4.301 . 0 0 "[ . 1 . 2]" 1
452 1 114 LEU H 1 115 ASP H . . 2.800 2.300 2.114 2.625 . 0 0 "[ . 1 . 2]" 1
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