NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
384077 |
1k8h   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k8h
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 1423
_Distance_constraint_stats_list.Viol_count 432
_Distance_constraint_stats_list.Viol_total 225.456
_Distance_constraint_stats_list.Viol_max 0.464
_Distance_constraint_stats_list.Viol_rms 0.0148
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0522
_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 5 LYS 0.000 0.000 . 0 "[ . 1]"
1 6 ILE 0.092 0.040 7 0 "[ . 1]"
1 7 ILE 0.005 0.005 10 0 "[ . 1]"
1 8 PRO 0.051 0.051 6 0 "[ . 1]"
1 9 ILE 2.253 0.117 2 0 "[ . 1]"
1 10 ALA 2.860 0.260 10 0 "[ . 1]"
1 11 GLU 0.019 0.019 10 0 "[ . 1]"
1 12 ASN 0.009 0.009 10 0 "[ . 1]"
1 13 LYS 0.000 0.000 . 0 "[ . 1]"
1 14 GLU 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.009 0.009 10 0 "[ . 1]"
1 16 LYS 0.192 0.044 10 0 "[ . 1]"
1 17 ALA 0.003 0.002 10 0 "[ . 1]"
1 18 LYS 0.011 0.007 5 0 "[ . 1]"
1 19 TYR 0.592 0.124 8 0 "[ . 1]"
1 20 ASP 0.477 0.124 8 0 "[ . 1]"
1 21 ILE 0.217 0.044 10 0 "[ . 1]"
1 22 LEU 0.037 0.025 3 0 "[ . 1]"
1 23 GLU 0.000 0.000 . 0 "[ . 1]"
1 24 THR 0.025 0.009 8 0 "[ . 1]"
1 25 TYR 0.019 0.012 2 0 "[ . 1]"
1 26 GLU 0.717 0.111 7 0 "[ . 1]"
1 27 ALA 0.025 0.017 1 0 "[ . 1]"
1 28 GLY 0.000 0.000 . 0 "[ . 1]"
1 29 ILE 0.902 0.074 6 0 "[ . 1]"
1 30 VAL 0.087 0.045 8 0 "[ . 1]"
1 31 LEU 0.690 0.221 9 0 "[ . 1]"
1 32 LYS 0.137 0.043 6 0 "[ . 1]"
1 33 GLY 0.000 0.000 . 0 "[ . 1]"
1 34 SER 0.000 0.000 . 0 "[ . 1]"
1 35 GLU 0.217 0.043 6 0 "[ . 1]"
1 36 VAL 0.584 0.083 2 0 "[ . 1]"
1 37 LYS 0.383 0.049 5 0 "[ . 1]"
1 38 SER 0.033 0.015 7 0 "[ . 1]"
1 39 LEU 0.181 0.126 5 0 "[ . 1]"
1 40 ARG 0.869 0.078 3 0 "[ . 1]"
1 41 GLU 0.000 0.000 . 0 "[ . 1]"
1 42 LYS 0.000 0.000 . 0 "[ . 1]"
1 43 GLY 0.000 0.000 . 0 "[ . 1]"
1 44 THR 0.137 0.047 4 0 "[ . 1]"
1 45 VAL 0.208 0.050 1 0 "[ . 1]"
1 46 SER 0.000 0.000 . 0 "[ . 1]"
1 47 PHE 0.000 0.000 . 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 ASP 0.000 0.000 . 0 "[ . 1]"
1 50 SER 0.250 0.045 9 0 "[ . 1]"
1 51 PHE 0.050 0.012 8 0 "[ . 1]"
1 52 VAL 1.472 0.464 6 0 "[ . 1]"
1 53 ARG 0.013 0.011 3 0 "[ . 1]"
1 54 ILE 0.382 0.075 8 0 "[ . 1]"
1 55 GLU 0.000 0.000 . 0 "[ . 1]"
1 56 ASN 0.144 0.048 8 0 "[ . 1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 GLU 0.219 0.056 7 0 "[ . 1]"
1 59 ALA 0.763 0.111 7 0 "[ . 1]"
1 60 TRP 0.356 0.029 6 0 "[ . 1]"
1 61 LEU 1.639 0.464 6 0 "[ . 1]"
1 62 TYR 0.000 0.000 . 0 "[ . 1]"
1 63 ASN 0.000 0.000 . 0 "[ . 1]"
1 64 LEU 0.000 0.000 . 0 "[ . 1]"
1 65 TYR 0.258 0.045 9 0 "[ . 1]"
1 66 ILE 0.071 0.029 5 0 "[ . 1]"
1 67 ALA 0.021 0.011 7 0 "[ . 1]"
1 68 PRO 0.266 0.266 7 0 "[ . 1]"
1 69 TYR 0.299 0.266 7 0 "[ . 1]"
1 70 LYS 0.000 0.000 . 0 "[ . 1]"
1 71 HIS 0.000 0.000 . 0 "[ . 1]"
1 72 ALA 0.000 0.000 . 0 "[ . 1]"
1 73 THR 0.000 0.000 . 0 "[ . 1]"
1 74 ILE 0.000 0.000 . 0 "[ . 1]"
1 75 GLU 0.000 0.000 . 0 "[ . 1]"
1 77 HIS 0.000 0.000 . 0 "[ . 1]"
1 78 ASP 0.000 0.000 . 0 "[ . 1]"
1 79 PRO 0.013 0.008 4 0 "[ . 1]"
1 80 LEU 0.065 0.029 5 0 "[ . 1]"
1 81 ARG 0.000 0.000 . 0 "[ . 1]"
1 82 LYS 0.000 0.000 . 0 "[ . 1]"
1 83 ARG 0.043 0.016 9 0 "[ . 1]"
1 84 LYS 0.005 0.003 2 0 "[ . 1]"
1 85 LEU 0.332 0.049 1 0 "[ . 1]"
1 86 LEU 0.197 0.055 7 0 "[ . 1]"
1 87 LEU 0.327 0.134 7 0 "[ . 1]"
1 88 HIS 0.017 0.008 7 0 "[ . 1]"
1 89 LYS 0.000 0.000 . 0 "[ . 1]"
1 90 ARG 0.000 0.000 . 0 "[ . 1]"
1 91 GLU 0.008 0.008 5 0 "[ . 1]"
1 92 ILE 0.758 0.134 7 0 "[ . 1]"
1 93 MET 0.219 0.119 8 0 "[ . 1]"
1 94 ARG 0.000 0.000 . 0 "[ . 1]"
1 95 LEU 0.071 0.026 10 0 "[ . 1]"
1 96 TYR 0.008 0.005 8 0 "[ . 1]"
1 97 GLY 0.000 0.000 . 0 "[ . 1]"
1 98 LYS 0.270 0.053 4 0 "[ . 1]"
1 99 VAL 0.222 0.108 3 0 "[ . 1]"
1 100 GLN 0.108 0.108 3 0 "[ . 1]"
1 101 GLU 1.015 0.126 4 0 "[ . 1]"
1 102 LYS 0.000 0.000 . 0 "[ . 1]"
1 103 GLY 0.270 0.053 4 0 "[ . 1]"
1 104 TYR 0.993 0.126 4 0 "[ . 1]"
1 105 THR 0.092 0.033 9 0 "[ . 1]"
1 106 ILE 0.842 0.118 8 0 "[ . 1]"
1 107 ILE 0.840 0.118 8 0 "[ . 1]"
1 108 PRO 0.000 0.000 . 0 "[ . 1]"
1 109 LEU 0.170 0.047 10 0 "[ . 1]"
1 110 LYS 1.095 0.117 2 0 "[ . 1]"
1 111 LEU 1.286 0.156 3 0 "[ . 1]"
1 112 TYR 1.851 0.260 10 0 "[ . 1]"
1 113 TRP 6.809 0.286 6 0 "[ . 1]"
1 114 LYS 0.005 0.005 10 0 "[ . 1]"
1 115 ASN 0.000 0.000 . 0 "[ . 1]"
1 116 ASN 0.493 0.056 4 0 "[ . 1]"
1 117 LYS 2.673 0.275 4 0 "[ . 1]"
1 118 VAL 0.383 0.074 6 0 "[ . 1]"
1 119 LYS 0.000 0.000 . 0 "[ . 1]"
1 120 VAL 1.267 0.156 3 0 "[ . 1]"
1 121 LEU 0.129 0.021 8 0 "[ . 1]"
1 122 ILE 0.171 0.123 3 0 "[ . 1]"
1 123 ALA 0.148 0.123 3 0 "[ . 1]"
1 124 LEU 0.042 0.012 2 0 "[ . 1]"
1 125 ALA 0.124 0.039 3 0 "[ . 1]"
1 126 LYS 0.036 0.011 4 0 "[ . 1]"
1 127 GLY 0.000 0.000 . 0 "[ . 1]"
1 128 LYS 0.024 0.008 7 0 "[ . 1]"
1 129 LYS 0.000 0.000 . 0 "[ . 1]"
1 130 LEU 0.000 0.000 . 0 "[ . 1]"
1 131 TYR 0.000 0.000 . 0 "[ . 1]"
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 5 LYS HA 1 6 ILE H 3.200 . 3.200 2.467 2.140 2.961 . 0 0 "[ . 1]" 1
2 1 6 ILE H 1 6 ILE HB 3.600 . 3.600 2.993 2.613 3.640 0.040 7 0 "[ . 1]" 1
3 1 6 ILE H 1 6 ILE MG 4.500 . 5.500 3.094 1.963 3.881 . 0 0 "[ . 1]" 1
4 1 6 ILE H 1 7 ILE H 7.000 . 7.000 4.511 4.374 4.587 . 0 0 "[ . 1]" 1
5 1 6 ILE H 1 6 ILE MD 4.500 . 5.200 3.329 1.954 4.602 . 0 0 "[ . 1]" 1
6 1 6 ILE HA 1 6 ILE MG 3.200 . 4.200 2.427 2.107 3.194 . 0 0 "[ . 1]" 1
7 1 6 ILE HA 1 6 ILE MD 3.600 . 4.600 3.671 2.274 4.171 . 0 0 "[ . 1]" 1
8 1 6 ILE HA 1 114 LYS HA 3.600 . 3.600 2.914 2.201 3.482 . 0 0 "[ . 1]" 1
9 1 6 ILE HA 1 113 TRP QB 7.000 . 7.700 6.104 5.373 6.607 . 0 0 "[ . 1]" 1
10 1 6 ILE HA 1 7 ILE H 3.200 . 3.200 2.229 2.147 2.456 . 0 0 "[ . 1]" 1
11 1 6 ILE HB 1 114 LYS HA 7.000 . 7.000 4.144 2.795 5.231 . 0 0 "[ . 1]" 1
12 1 6 ILE HB 1 112 TYR QD 5.500 . 8.000 4.624 2.900 6.726 . 0 0 "[ . 1]" 1
13 1 6 ILE HB 1 7 ILE H 4.500 . 4.500 3.611 2.289 4.253 . 0 0 "[ . 1]" 1
14 1 6 ILE MD 1 114 LYS HA 7.000 . 8.000 4.254 2.282 5.228 . 0 0 "[ . 1]" 1
15 1 6 ILE MD 1 7 ILE H 7.000 . 8.000 4.489 3.048 5.248 . 0 0 "[ . 1]" 1
16 1 6 ILE QG 1 114 LYS HA 7.000 . 7.700 3.690 2.571 5.352 . 0 0 "[ . 1]" 1
17 1 6 ILE QG 1 112 TYR QD 7.000 . 10.200 4.496 2.271 6.083 . 0 0 "[ . 1]" 1
18 1 5 LYS HA 1 6 ILE QG 7.000 . 7.700 4.286 3.355 5.992 . 0 0 "[ . 1]" 1
19 1 6 ILE MG 1 114 LYS HA 5.500 . 6.500 2.775 1.947 5.179 . 0 0 "[ . 1]" 1
20 1 6 ILE MG 1 113 TRP H 7.000 . 8.000 5.117 3.720 6.659 . 0 0 "[ . 1]" 1
21 1 6 ILE MG 1 112 TYR QB 7.000 . 8.700 4.120 2.913 5.300 . 0 0 "[ . 1]" 1
22 1 6 ILE MG 1 112 TYR QD 5.500 . 9.000 3.480 1.835 4.342 . 0 0 "[ . 1]" 1
23 1 6 ILE MG 1 7 ILE H 3.600 . 4.600 3.103 1.928 4.025 . 0 0 "[ . 1]" 1
24 1 7 ILE H 1 7 ILE HB 4.200 . 4.200 2.711 2.624 2.878 . 0 0 "[ . 1]" 1
25 1 7 ILE H 1 113 TRP H . . 5.500 3.963 3.628 4.316 . 0 0 "[ . 1]" 1
26 1 7 ILE H 1 113 TRP QB 7.000 . 7.700 5.168 4.806 5.442 . 0 0 "[ . 1]" 1
27 1 7 ILE H 1 113 TRP HD1 7.000 . 7.000 2.834 2.320 3.134 . 0 0 "[ . 1]" 1
28 1 7 ILE H 1 112 TYR QB 7.000 . 7.700 4.185 3.901 4.504 . 0 0 "[ . 1]" 1
29 1 7 ILE H 1 112 TYR QD 7.000 . 9.500 4.675 4.168 5.378 . 0 0 "[ . 1]" 1
30 1 7 ILE H 1 8 PRO QD 7.000 . 7.700 4.214 4.169 4.249 . 0 0 "[ . 1]" 1
31 1 7 ILE HA 1 7 ILE MG 3.200 . 4.200 2.316 2.196 2.386 . 0 0 "[ . 1]" 1
32 1 7 ILE HA 1 7 ILE MD 4.500 . 5.500 3.059 1.963 3.922 . 0 0 "[ . 1]" 1
33 1 7 ILE HA 1 8 PRO QD 3.200 . 3.900 1.936 1.790 1.980 . 0 0 "[ . 1]" 1
34 1 7 ILE HB 1 113 TRP H 4.500 . 4.500 3.643 3.347 3.748 . 0 0 "[ . 1]" 1
35 1 7 ILE HB 1 113 TRP HA 7.000 . 7.000 5.989 5.787 6.166 . 0 0 "[ . 1]" 1
36 1 7 ILE HB 1 113 TRP HD1 5.500 . 5.500 2.449 2.352 2.708 . 0 0 "[ . 1]" 1
37 1 7 ILE HB 1 113 TRP HE1 7.000 . 7.000 1.919 1.748 2.158 . 0 0 "[ . 1]" 1
38 1 7 ILE HB 1 8 PRO QD 7.000 . 7.700 4.025 3.889 4.072 . 0 0 "[ . 1]" 1
39 1 7 ILE MD 1 7 ILE MG 3.200 . 5.200 2.483 1.792 3.129 . 0 0 "[ . 1]" 1
40 1 7 ILE MG 1 113 TRP H . . 6.500 4.478 4.267 4.784 . 0 0 "[ . 1]" 1
41 1 7 ILE MG 1 113 TRP QB 7.000 . 8.700 5.782 5.621 6.094 . 0 0 "[ . 1]" 1
42 1 7 ILE MG 1 9 ILE MD 7.000 . 9.000 2.993 1.862 4.216 . 0 0 "[ . 1]" 1
43 1 7 ILE MG 1 8 PRO QD 3.600 . 5.300 2.122 1.938 2.256 . 0 0 "[ . 1]" 1
44 1 7 ILE MD 1 8 PRO QD 7.000 . 8.700 4.085 3.015 4.799 . 0 0 "[ . 1]" 1
45 1 8 PRO HA 1 113 TRP H . . 4.500 4.229 4.090 4.551 0.051 6 0 "[ . 1]" 1
46 1 8 PRO HA 1 112 TYR HA 5.500 . 5.500 3.315 2.961 3.600 . 0 0 "[ . 1]" 1
47 1 8 PRO HA 1 112 TYR QB 3.600 . 4.300 1.734 1.539 1.801 . 0 0 "[ . 1]" 1
48 1 8 PRO HA 1 112 TYR QD 4.500 . 7.000 3.569 2.905 3.820 . 0 0 "[ . 1]" 1
49 1 8 PRO HA 1 111 LEU QB 7.000 . 7.700 6.937 6.636 7.153 . 0 0 "[ . 1]" 1
50 1 8 PRO HA 1 9 ILE H 4.200 . 4.200 2.220 2.175 2.245 . 0 0 "[ . 1]" 1
51 1 8 PRO QB 1 112 TYR QB 7.000 . 8.400 3.169 3.081 3.343 . 0 0 "[ . 1]" 1
52 1 8 PRO QB 1 9 ILE H 5.500 . 6.200 3.103 2.938 3.369 . 0 0 "[ . 1]" 1
53 1 7 ILE HA 1 8 PRO QB 5.500 . 6.200 4.514 4.471 4.713 . 0 0 "[ . 1]" 1
54 1 9 ILE H 1 9 ILE MD 5.500 . 6.500 3.608 3.387 3.924 . 0 0 "[ . 1]" 1
55 1 9 ILE H 1 113 TRP H 7.000 . 7.000 4.591 4.193 4.806 . 0 0 "[ . 1]" 1
56 1 9 ILE H 1 112 TYR HA 5.500 . 5.500 2.664 2.333 2.894 . 0 0 "[ . 1]" 1
57 1 9 ILE H 1 112 TYR QB 5.500 . 6.200 2.032 1.751 2.457 . 0 0 "[ . 1]" 1
58 1 9 ILE H 1 112 TYR QD 7.000 . 9.500 3.746 2.513 4.174 . 0 0 "[ . 1]" 1
59 1 9 ILE H 1 111 LEU H 7.000 . 7.000 4.220 3.930 4.690 . 0 0 "[ . 1]" 1
60 1 9 ILE H 1 10 ALA H 4.200 . 4.200 4.301 4.267 4.309 0.109 1 0 "[ . 1]" 1
61 1 9 ILE HA 1 9 ILE MG 3.200 . 4.200 2.043 2.000 2.209 . 0 0 "[ . 1]" 1
62 1 9 ILE HA 1 9 ILE MD 4.500 . 5.500 3.245 2.365 4.071 . 0 0 "[ . 1]" 1
63 1 9 ILE HA 1 113 TRP HE1 7.000 . 7.000 7.031 7.017 7.048 0.048 9 0 "[ . 1]" 1
64 1 9 ILE HA 1 112 TYR HA 5.500 . 5.500 4.624 4.414 4.816 . 0 0 "[ . 1]" 1
65 1 9 ILE HA 1 10 ALA H . . 6.500 2.357 2.082 2.472 . 0 0 "[ . 1]" 1
66 1 8 PRO HA 1 9 ILE HA 5.500 . 5.500 4.422 4.392 4.439 . 0 0 "[ . 1]" 1
67 1 9 ILE HB 1 113 TRP H 7.000 . 7.000 4.986 4.535 5.342 . 0 0 "[ . 1]" 1
68 1 9 ILE HB 1 113 TRP HE1 7.000 . 7.000 6.821 6.690 6.982 . 0 0 "[ . 1]" 1
69 1 9 ILE HB 1 112 TYR H 7.000 . 7.000 4.832 4.584 4.997 . 0 0 "[ . 1]" 1
70 1 9 ILE HB 1 112 TYR HA 7.000 . 7.000 3.137 2.905 3.424 . 0 0 "[ . 1]" 1
71 1 9 ILE HB 1 111 LEU H 7.000 . 7.000 3.793 3.735 3.841 . 0 0 "[ . 1]" 1
72 1 8 PRO HA 1 9 ILE HB 7.000 . 7.000 5.059 4.910 5.154 . 0 0 "[ . 1]" 1
73 1 9 ILE QG 1 113 TRP H . . 6.200 2.823 2.447 3.020 . 0 0 "[ . 1]" 1
74 1 9 ILE QG 1 113 TRP HE1 7.000 . 7.700 4.025 3.878 4.296 . 0 0 "[ . 1]" 1
75 1 9 ILE QG 1 113 TRP HD1 7.000 . 7.700 4.278 4.114 4.457 . 0 0 "[ . 1]" 1
76 1 9 ILE QG 1 10 ALA H 7.000 . 7.700 4.221 4.110 4.374 . 0 0 "[ . 1]" 1
77 1 9 ILE MD 1 9 ILE MG 3.200 . 5.200 2.153 1.856 2.444 . 0 0 "[ . 1]" 1
78 1 9 ILE MD 1 118 VAL HA 7.000 . 8.000 4.963 3.616 6.346 . 0 0 "[ . 1]" 1
79 1 9 ILE MD 1 118 VAL QG 5.500 . 8.500 2.761 1.694 3.874 . 0 0 "[ . 1]" 1
80 1 9 ILE MD 1 113 TRP H 4.500 . 5.500 2.876 1.967 3.709 . 0 0 "[ . 1]" 1
81 1 9 ILE MD 1 113 TRP HD1 4.200 . 5.200 3.838 3.501 4.202 . 0 0 "[ . 1]" 1
82 1 9 ILE MD 1 113 TRP HE1 4.200 . 5.200 3.338 2.984 3.911 . 0 0 "[ . 1]" 1
83 1 9 ILE MD 1 112 TYR HA 4.200 . 5.200 2.790 1.945 3.586 . 0 0 "[ . 1]" 1
84 1 9 ILE MD 1 112 TYR QB 7.000 . 8.700 3.731 3.451 4.057 . 0 0 "[ . 1]" 1
85 1 9 ILE MD 1 111 LEU QD 5.500 . 8.500 3.367 1.929 4.597 . 0 0 "[ . 1]" 1
86 1 9 ILE MD 1 39 LEU QB 7.000 . 8.700 3.266 1.884 4.202 . 0 0 "[ . 1]" 1
87 1 9 ILE MD 1 10 ALA H 7.000 . 8.000 4.289 3.873 5.042 . 0 0 "[ . 1]" 1
88 1 9 ILE MG 1 118 VAL QG 5.500 . 8.500 3.768 3.205 4.006 . 0 0 "[ . 1]" 1
89 1 9 ILE MG 1 113 TRP HE1 7.000 . 8.000 5.445 5.271 5.697 . 0 0 "[ . 1]" 1
90 1 9 ILE MG 1 112 TYR HA 5.500 . 6.500 4.298 4.143 4.462 . 0 0 "[ . 1]" 1
91 1 9 ILE MG 1 111 LEU H 7.000 . 8.000 4.740 4.534 4.822 . 0 0 "[ . 1]" 1
92 1 9 ILE MG 1 10 ALA H 3.600 . 4.600 1.932 1.761 2.195 . 0 0 "[ . 1]" 1
93 1 8 PRO HA 1 9 ILE MG 7.000 . 8.000 5.319 5.284 5.372 . 0 0 "[ . 1]" 1
94 1 10 ALA H 1 112 TYR QD 7.000 . 9.500 7.115 6.149 7.693 . 0 0 "[ . 1]" 1
95 1 10 ALA H 1 111 LEU H 5.500 . 5.500 4.468 4.339 4.815 . 0 0 "[ . 1]" 1
96 1 10 ALA H 1 111 LEU QD 7.000 . 9.000 3.975 3.604 4.987 . 0 0 "[ . 1]" 1
97 1 9 ILE HB 1 10 ALA H 4.200 . 4.200 2.962 2.727 3.554 . 0 0 "[ . 1]" 1
98 1 10 ALA HA 1 11 GLU H 7.000 . 7.000 2.620 2.310 3.547 . 0 0 "[ . 1]" 1
99 1 10 ALA MB 1 111 LEU QD 5.500 . 8.500 1.893 1.694 2.400 . 0 0 "[ . 1]" 1
100 1 10 ALA MB 1 11 GLU H 4.500 . 5.500 2.402 1.822 2.667 . 0 0 "[ . 1]" 1
101 1 9 ILE MG 1 10 ALA MB 4.200 . 6.200 3.298 3.066 3.476 . 0 0 "[ . 1]" 1
102 1 9 ILE MD 1 10 ALA MB 7.000 . 9.000 4.782 4.261 5.186 . 0 0 "[ . 1]" 1
103 1 11 GLU QB 1 12 ASN H 5.500 . 6.200 3.415 2.701 3.890 . 0 0 "[ . 1]" 1
104 1 12 ASN H 1 110 LYS HA 5.500 . 5.500 4.585 3.753 5.038 . 0 0 "[ . 1]" 1
105 1 12 ASN H 1 109 LEU HA 5.500 . 5.500 3.982 3.266 4.468 . 0 0 "[ . 1]" 1
106 1 12 ASN H 1 109 LEU QB 7.000 . 7.700 4.824 3.678 5.615 . 0 0 "[ . 1]" 1
107 1 12 ASN H 1 109 LEU QD 7.000 . 9.000 3.076 2.146 3.725 . 0 0 "[ . 1]" 1
108 1 11 GLU H 1 12 ASN H 7.000 . 7.000 3.931 3.509 4.295 . 0 0 "[ . 1]" 1
109 1 11 GLU HA 1 12 ASN H 5.500 . 5.500 2.207 2.149 2.356 . 0 0 "[ . 1]" 1
110 1 12 ASN HA 1 109 LEU QD 7.000 . 9.000 4.330 3.846 4.948 . 0 0 "[ . 1]" 1
111 1 12 ASN HA 1 15 ALA H 7.000 . 7.000 6.270 4.536 7.009 0.009 10 0 "[ . 1]" 1
112 1 12 ASN HA 1 13 LYS H 5.500 . 5.500 2.367 2.149 2.573 . 0 0 "[ . 1]" 1
113 1 12 ASN QB 1 109 LEU HA 5.500 . 6.200 2.672 1.977 4.323 . 0 0 "[ . 1]" 1
114 1 12 ASN QB 1 109 LEU QD 7.000 . 9.700 2.852 1.801 4.577 . 0 0 "[ . 1]" 1
115 1 11 GLU HA 1 12 ASN QB 7.000 . 7.700 4.124 3.850 4.447 . 0 0 "[ . 1]" 1
116 1 13 LYS HA 1 13 LYS QG 3.600 . 4.300 2.616 2.027 3.447 . 0 0 "[ . 1]" 1
117 1 12 ASN H 1 13 LYS QB 7.000 . 7.700 4.675 4.237 5.356 . 0 0 "[ . 1]" 1
118 1 14 GLU H 1 14 GLU QB 3.600 . 4.300 2.158 2.064 2.339 . 0 0 "[ . 1]" 1
119 1 14 GLU H 1 14 GLU QG 4.500 . 5.200 3.540 2.684 4.036 . 0 0 "[ . 1]" 1
120 1 14 GLU H 1 15 ALA H . . 3.600 2.701 2.648 2.931 . 0 0 "[ . 1]" 1
121 1 13 LYS HA 1 14 GLU H 7.000 . 7.000 3.004 2.733 3.514 . 0 0 "[ . 1]" 1
122 1 13 LYS QB 1 14 GLU H 5.500 . 6.200 3.665 2.776 4.036 . 0 0 "[ . 1]" 1
123 1 14 GLU HA 1 14 GLU QG 3.600 . 4.300 2.323 2.041 2.630 . 0 0 "[ . 1]" 1
124 1 14 GLU HA 1 18 LYS H 7.000 . 7.000 4.202 3.901 4.711 . 0 0 "[ . 1]" 1
125 1 14 GLU HA 1 17 ALA H 7.000 . 7.000 3.723 3.653 3.824 . 0 0 "[ . 1]" 1
126 1 14 GLU HA 1 17 ALA MB 3.600 . 4.600 2.854 2.688 3.272 . 0 0 "[ . 1]" 1
127 1 14 GLU HA 1 16 LYS H 5.500 . 5.500 4.801 4.598 5.058 . 0 0 "[ . 1]" 1
128 1 14 GLU HA 1 15 ALA H . . 4.200 3.558 3.553 3.561 . 0 0 "[ . 1]" 1
129 1 14 GLU QB 1 15 ALA H 3.600 . 4.300 2.451 2.365 2.559 . 0 0 "[ . 1]" 1
130 1 15 ALA H 1 15 ALA MB 3.200 . 4.200 2.124 2.026 2.233 . 0 0 "[ . 1]" 1
131 1 15 ALA H 1 107 ILE MD 7.000 . 8.000 3.579 2.461 4.810 . 0 0 "[ . 1]" 1
132 1 15 ALA H 1 17 ALA H . . 5.500 4.415 4.310 4.521 . 0 0 "[ . 1]" 1
133 1 15 ALA H 1 16 LYS H 3.600 . 3.600 3.004 2.911 3.121 . 0 0 "[ . 1]" 1
134 1 14 GLU QG 1 15 ALA H 7.000 . 7.700 4.165 3.956 4.379 . 0 0 "[ . 1]" 1
135 1 12 ASN QB 1 15 ALA H 7.000 . 7.700 4.699 4.117 5.307 . 0 0 "[ . 1]" 1
136 1 15 ALA HA 1 107 ILE MD 5.500 . 6.500 3.731 2.669 4.881 . 0 0 "[ . 1]" 1
137 1 15 ALA HA 1 107 ILE QG 7.000 . 7.700 4.476 3.407 5.255 . 0 0 "[ . 1]" 1
138 1 15 ALA HA 1 19 TYR H 7.000 . 7.000 3.772 2.842 4.585 . 0 0 "[ . 1]" 1
139 1 15 ALA HA 1 19 TYR QB 7.000 . 7.700 2.308 1.822 3.378 . 0 0 "[ . 1]" 1
140 1 15 ALA HA 1 19 TYR QD 3.600 . 6.100 2.730 1.912 3.845 . 0 0 "[ . 1]" 1
141 1 15 ALA HA 1 19 TYR QE 5.500 . 8.000 4.647 3.279 5.997 . 0 0 "[ . 1]" 1
142 1 15 ALA HA 1 18 LYS H 5.500 . 5.500 3.952 3.584 4.155 . 0 0 "[ . 1]" 1
143 1 15 ALA HA 1 18 LYS QG 7.000 . 7.700 6.172 5.394 6.988 . 0 0 "[ . 1]" 1
144 1 15 ALA HA 1 16 LYS H 4.200 . 4.200 3.567 3.560 3.575 . 0 0 "[ . 1]" 1
145 1 14 GLU QB 1 15 ALA HA 5.500 . 6.200 3.754 3.695 3.816 . 0 0 "[ . 1]" 1
146 1 14 GLU QG 1 15 ALA HA 7.000 . 7.700 5.035 4.294 5.780 . 0 0 "[ . 1]" 1
147 1 15 ALA MB 1 19 TYR QE 7.000 . 10.500 5.407 4.426 6.536 . 0 0 "[ . 1]" 1
148 1 15 ALA MB 1 18 LYS H 5.500 . 6.500 4.996 4.662 5.221 . 0 0 "[ . 1]" 1
149 1 15 ALA MB 1 16 LYS H 3.600 . 4.600 2.297 2.020 2.459 . 0 0 "[ . 1]" 1
150 1 14 GLU QB 1 15 ALA MB 7.000 . 8.700 3.794 3.728 3.886 . 0 0 "[ . 1]" 1
151 1 12 ASN QB 1 15 ALA MB 7.000 . 8.700 4.995 3.917 5.742 . 0 0 "[ . 1]" 1
152 1 15 ALA MB 1 109 LEU HA 7.000 . 8.000 5.542 4.329 6.388 . 0 0 "[ . 1]" 1
153 1 15 ALA MB 1 109 LEU QD 7.000 . 10.000 3.542 2.638 4.753 . 0 0 "[ . 1]" 1
154 1 15 ALA MB 1 107 ILE QG 5.500 . 7.200 2.860 2.162 3.872 . 0 0 "[ . 1]" 1
155 1 15 ALA MB 1 107 ILE MD 3.200 . 5.200 2.142 1.698 3.220 . 0 0 "[ . 1]" 1
156 1 16 LYS H 1 16 LYS QB 3.200 . 3.900 2.139 2.040 2.325 . 0 0 "[ . 1]" 1
157 1 16 LYS H 1 17 ALA H 3.200 . 3.200 2.923 2.876 2.956 . 0 0 "[ . 1]" 1
158 1 16 LYS HA 1 17 ALA H 4.200 . 4.200 3.558 3.549 3.564 . 0 0 "[ . 1]" 1
159 1 17 ALA H 1 17 ALA MB 3.200 . 4.200 2.119 2.075 2.157 . 0 0 "[ . 1]" 1
160 1 17 ALA H 1 19 TYR H 5.500 . 5.500 4.699 3.746 5.502 0.002 3 0 "[ . 1]" 1
161 1 17 ALA H 1 18 LYS H 3.200 . 3.200 3.041 2.894 3.202 0.002 10 0 "[ . 1]" 1
162 1 16 LYS QB 1 17 ALA H 4.500 . 5.200 2.423 2.358 2.503 . 0 0 "[ . 1]" 1
163 1 14 GLU QB 1 17 ALA H 7.000 . 7.700 5.097 4.993 5.174 . 0 0 "[ . 1]" 1
164 1 14 GLU QG 1 17 ALA H 7.000 . 7.700 5.371 4.983 5.941 . 0 0 "[ . 1]" 1
165 1 17 ALA HA 1 18 LYS H 5.500 . 5.500 3.578 3.569 3.589 . 0 0 "[ . 1]" 1
166 1 17 ALA MB 1 18 LYS H 3.600 . 4.600 2.198 1.967 2.550 . 0 0 "[ . 1]" 1
167 1 18 LYS H 1 18 LYS QB 3.600 . 4.300 2.453 2.084 2.749 . 0 0 "[ . 1]" 1
168 1 18 LYS H 1 19 TYR H 3.200 . 3.200 2.799 2.503 3.207 0.007 5 0 "[ . 1]" 1
169 1 18 LYS H 1 19 TYR QB 7.000 . 7.700 4.223 3.317 4.946 . 0 0 "[ . 1]" 1
170 1 18 LYS QB 1 19 TYR QD 5.500 . 8.700 3.082 2.347 4.076 . 0 0 "[ . 1]" 1
171 1 18 LYS QB 1 19 TYR QE 7.000 . 10.200 3.589 2.209 5.185 . 0 0 "[ . 1]" 1
172 1 19 TYR H 1 19 TYR QD 3.600 . 6.100 3.006 1.985 4.452 . 0 0 "[ . 1]" 1
173 1 19 TYR H 1 19 TYR QE 4.500 . 7.000 4.879 3.868 6.305 . 0 0 "[ . 1]" 1
174 1 19 TYR H 1 125 ALA MB 7.000 . 8.000 4.575 4.008 4.890 . 0 0 "[ . 1]" 1
175 1 19 TYR H 1 20 ASP H . . 4.200 4.146 3.800 4.324 0.124 8 0 "[ . 1]" 1
176 1 18 LYS HA 1 19 TYR H 4.200 . 4.200 3.195 2.368 3.568 . 0 0 "[ . 1]" 1
177 1 18 LYS QB 1 19 TYR H 5.500 . 6.200 2.945 1.888 4.027 . 0 0 "[ . 1]" 1
178 1 19 TYR HA 1 19 TYR QD 3.600 . 6.100 2.852 2.259 3.248 . 0 0 "[ . 1]" 1
179 1 19 TYR HA 1 19 TYR QE 4.500 . 7.000 4.604 4.189 4.864 . 0 0 "[ . 1]" 1
180 1 19 TYR HA 1 128 LYS H 4.200 . 4.200 3.986 2.300 4.203 0.003 4 0 "[ . 1]" 1
181 1 19 TYR HA 1 127 GLY QA 7.000 . 7.700 4.783 3.944 5.661 . 0 0 "[ . 1]" 1
182 1 19 TYR HA 1 125 ALA MB 4.200 . 5.200 3.329 2.982 3.535 . 0 0 "[ . 1]" 1
183 1 19 TYR HA 1 20 ASP H 3.600 . 3.600 2.138 2.120 2.150 . 0 0 "[ . 1]" 1
184 1 19 TYR QB 1 20 ASP H 4.500 . 5.200 3.403 3.163 3.568 . 0 0 "[ . 1]" 1
185 1 19 TYR QD 1 20 ASP H 5.500 . 8.000 4.120 2.880 4.652 . 0 0 "[ . 1]" 1
186 1 19 TYR QE 1 20 ASP H 7.000 . 9.500 6.087 4.938 6.579 . 0 0 "[ . 1]" 1
187 1 20 ASP H 1 126 LYS H 4.500 . 4.500 3.539 2.990 3.870 . 0 0 "[ . 1]" 1
188 1 20 ASP H 1 125 ALA HA . . 5.500 4.858 4.506 5.188 . 0 0 "[ . 1]" 1
189 1 20 ASP H 1 125 ALA MB 5.500 . 6.500 3.272 2.953 4.252 . 0 0 "[ . 1]" 1
190 1 20 ASP HA 1 21 ILE H 3.200 . 3.200 2.139 2.123 2.152 . 0 0 "[ . 1]" 1
191 1 20 ASP QB 1 126 LYS H 5.500 . 6.200 3.468 3.001 3.957 . 0 0 "[ . 1]" 1
192 1 20 ASP QB 1 126 LYS QB 7.000 . 8.400 3.811 2.759 5.180 . 0 0 "[ . 1]" 1
193 1 20 ASP QB 1 21 ILE H 5.500 . 6.200 3.482 3.134 3.736 . 0 0 "[ . 1]" 1
194 1 21 ILE H 1 21 ILE HB 3.200 . 3.200 2.667 2.538 2.812 . 0 0 "[ . 1]" 1
195 1 21 ILE H 1 21 ILE QG 4.200 . 4.900 2.995 2.055 4.132 . 0 0 "[ . 1]" 1
196 1 21 ILE H 1 21 ILE MD 5.500 . 6.500 3.340 1.954 4.453 . 0 0 "[ . 1]" 1
197 1 21 ILE H 1 126 LYS H 7.000 . 7.000 5.394 5.233 5.488 . 0 0 "[ . 1]" 1
198 1 21 ILE H 1 125 ALA HA 7.000 . 7.000 4.722 4.518 4.981 . 0 0 "[ . 1]" 1
199 1 21 ILE H 1 22 LEU H 7.000 . 7.000 4.588 4.551 4.606 . 0 0 "[ . 1]" 1
200 1 20 ASP H 1 21 ILE H 7.000 . 7.000 4.512 4.505 4.542 . 0 0 "[ . 1]" 1
201 1 21 ILE HA 1 21 ILE MG 3.200 . 4.200 2.644 2.219 3.205 . 0 0 "[ . 1]" 1
202 1 21 ILE HA 1 21 ILE MD 3.200 . 4.200 3.704 3.271 3.929 . 0 0 "[ . 1]" 1
203 1 21 ILE HA 1 126 LYS H 4.500 . 4.500 4.334 4.105 4.492 . 0 0 "[ . 1]" 1
204 1 21 ILE HA 1 125 ALA HA 3.200 . 3.200 2.568 2.167 2.835 . 0 0 "[ . 1]" 1
205 1 21 ILE HA 1 125 ALA MB 3.600 . 4.600 2.821 2.282 3.887 . 0 0 "[ . 1]" 1
206 1 21 ILE HA 1 23 GLU H 7.000 . 7.000 4.646 4.132 4.966 . 0 0 "[ . 1]" 1
207 1 21 ILE HA 1 22 LEU H 3.200 . 3.200 2.252 2.165 2.310 . 0 0 "[ . 1]" 1
208 1 21 ILE HA 1 22 LEU HA 7.000 . 7.000 4.428 4.393 4.445 . 0 0 "[ . 1]" 1
209 1 20 ASP H 1 21 ILE HA 7.000 . 7.000 5.384 5.339 5.429 . 0 0 "[ . 1]" 1
210 1 20 ASP HA 1 21 ILE HA 7.000 . 7.000 4.371 4.360 4.384 . 0 0 "[ . 1]" 1
211 1 20 ASP QB 1 21 ILE HA 7.000 . 7.700 4.530 4.463 4.616 . 0 0 "[ . 1]" 1
212 1 16 LYS H 1 21 ILE HA 7.000 . 7.000 7.019 7.004 7.044 0.044 10 0 "[ . 1]" 1
213 1 21 ILE HB 1 126 LYS H 7.000 . 7.000 6.737 6.097 7.011 0.011 4 0 "[ . 1]" 1
214 1 21 ILE HB 1 22 LEU H 5.500 . 5.500 3.859 3.598 4.178 . 0 0 "[ . 1]" 1
215 1 20 ASP HA 1 21 ILE HB 5.500 . 5.500 4.673 4.520 4.926 . 0 0 "[ . 1]" 1
216 1 21 ILE MG 1 22 LEU H 5.500 . 6.500 2.763 1.957 3.884 . 0 0 "[ . 1]" 1
217 1 21 ILE MD 1 22 LEU H 5.500 . 6.500 4.379 2.294 5.079 . 0 0 "[ . 1]" 1
218 1 22 LEU H 1 22 LEU HG 5.500 . 5.500 4.188 2.994 5.036 . 0 0 "[ . 1]" 1
219 1 22 LEU H 1 23 GLU H 3.200 . 3.200 2.482 1.997 2.873 . 0 0 "[ . 1]" 1
220 1 22 LEU H 1 126 LYS H 5.500 . 5.500 5.347 4.847 5.504 0.004 2 0 "[ . 1]" 1
221 1 22 LEU H 1 125 ALA HA 3.600 . 3.600 3.476 3.227 3.625 0.025 3 0 "[ . 1]" 1
222 1 22 LEU H 1 125 ALA MB 5.500 . 6.500 4.367 4.015 4.978 . 0 0 "[ . 1]" 1
223 1 22 LEU HA 1 22 LEU HG 4.500 . 4.500 2.726 2.203 3.654 . 0 0 "[ . 1]" 1
224 1 22 LEU HA 1 23 GLU H 5.500 . 5.500 3.561 3.540 3.571 . 0 0 "[ . 1]" 1
225 1 22 LEU QB 1 23 GLU H 4.500 . 5.200 2.053 1.918 2.566 . 0 0 "[ . 1]" 1
226 1 22 LEU QD 1 104 TYR QD 4.200 . 8.700 3.903 2.847 5.291 . 0 0 "[ . 1]" 1
227 1 23 GLU H 1 23 GLU QG 4.200 . 4.900 3.608 2.006 4.297 . 0 0 "[ . 1]" 1
228 1 23 GLU H 1 125 ALA HA 7.000 . 7.000 5.109 4.481 5.984 . 0 0 "[ . 1]" 1
229 1 23 GLU H 1 124 LEU H 4.200 . 4.200 3.690 3.357 3.916 . 0 0 "[ . 1]" 1
230 1 23 GLU H 1 123 ALA HA 7.000 . 7.000 5.426 4.770 5.754 . 0 0 "[ . 1]" 1
231 1 23 GLU H 1 24 THR H 7.000 . 7.000 4.484 4.424 4.535 . 0 0 "[ . 1]" 1
232 1 23 GLU HA 1 24 THR H 3.200 . 3.200 2.378 2.261 2.519 . 0 0 "[ . 1]" 1
233 1 23 GLU QB 1 124 LEU H 7.000 . 7.700 4.576 4.315 5.123 . 0 0 "[ . 1]" 1
234 1 23 GLU QB 1 25 TYR QD 5.500 . 8.700 4.544 3.337 5.629 . 0 0 "[ . 1]" 1
235 1 23 GLU QB 1 24 THR H . . 4.900 2.905 2.521 3.371 . 0 0 "[ . 1]" 1
236 1 23 GLU QB 1 124 LEU QD 5.500 . 8.200 2.710 1.797 3.723 . 0 0 "[ . 1]" 1
237 1 24 THR H 1 24 THR MG 4.500 . 5.500 2.918 2.676 3.098 . 0 0 "[ . 1]" 1
238 1 24 THR H 1 124 LEU H 7.000 . 7.000 4.881 4.760 4.974 . 0 0 "[ . 1]" 1
239 1 24 THR H 1 25 TYR H 7.000 . 7.000 4.440 4.412 4.475 . 0 0 "[ . 1]" 1
240 1 24 THR H 1 25 TYR QD 7.000 . 9.500 4.699 3.809 5.737 . 0 0 "[ . 1]" 1
241 1 24 THR H 1 25 TYR QE 7.000 . 9.500 5.859 4.432 7.723 . 0 0 "[ . 1]" 1
242 1 23 GLU QG 1 24 THR H 5.500 . 6.200 2.827 1.963 4.234 . 0 0 "[ . 1]" 1
243 1 24 THR HA 1 24 THR MG 3.200 . 4.200 2.415 2.270 2.527 . 0 0 "[ . 1]" 1
244 1 24 THR HA 1 25 TYR H 3.200 . 3.200 2.381 2.223 2.507 . 0 0 "[ . 1]" 1
245 1 23 GLU HA 1 24 THR HA 7.000 . 7.000 4.457 4.405 4.487 . 0 0 "[ . 1]" 1
246 1 24 THR HA 1 25 TYR QD 5.500 . 8.000 4.023 2.858 5.463 . 0 0 "[ . 1]" 1
247 1 24 THR HA 1 124 LEU H . . 4.200 2.998 2.631 3.279 . 0 0 "[ . 1]" 1
248 1 24 THR HA 1 123 ALA HA 3.200 . 3.200 2.559 2.243 2.973 . 0 0 "[ . 1]" 1
249 1 24 THR HA 1 123 ALA MB 4.200 . 5.200 4.044 3.655 4.511 . 0 0 "[ . 1]" 1
250 1 24 THR HB 1 25 TYR H 3.600 . 3.600 2.494 2.207 2.952 . 0 0 "[ . 1]" 1
251 1 24 THR HB 1 124 LEU H 7.000 . 7.000 4.685 4.335 5.052 . 0 0 "[ . 1]" 1
252 1 24 THR HB 1 123 ALA HA 3.200 . 3.200 3.132 2.868 3.209 0.009 8 0 "[ . 1]" 1
253 1 24 THR HB 1 123 ALA MB 5.500 . 6.500 3.819 3.466 4.073 . 0 0 "[ . 1]" 1
254 1 24 THR HB 1 122 ILE H 7.000 . 7.000 3.894 3.347 4.343 . 0 0 "[ . 1]" 1
255 1 24 THR HB 1 121 LEU QB 7.000 . 7.700 5.275 4.753 5.855 . 0 0 "[ . 1]" 1
256 1 24 THR HB 1 121 LEU HG 4.200 . 4.200 3.393 2.849 4.018 . 0 0 "[ . 1]" 1
257 1 24 THR HB 1 121 LEU QD 4.200 . 5.600 3.091 2.580 3.576 . 0 0 "[ . 1]" 1
258 1 24 THR MG 1 124 LEU H 5.500 . 6.500 2.906 2.510 3.357 . 0 0 "[ . 1]" 1
259 1 24 THR MG 1 123 ALA HA 4.200 . 5.200 2.132 1.847 2.762 . 0 0 "[ . 1]" 1
260 1 24 THR MG 1 122 ILE H 7.000 . 8.000 4.933 4.385 5.496 . 0 0 "[ . 1]" 1
261 1 24 THR MG 1 25 TYR H 5.500 . 6.500 3.814 3.590 4.070 . 0 0 "[ . 1]" 1
262 1 23 GLU H 1 24 THR MG 7.000 . 8.000 4.214 3.938 4.451 . 0 0 "[ . 1]" 1
263 1 22 LEU H 1 24 THR MG 7.000 . 8.000 4.349 4.137 4.634 . 0 0 "[ . 1]" 1
264 1 25 TYR H 1 25 TYR QE 7.000 . 9.500 5.561 4.108 6.410 . 0 0 "[ . 1]" 1
265 1 25 TYR H 1 124 LEU H 5.500 . 5.500 4.972 4.713 5.322 . 0 0 "[ . 1]" 1
266 1 25 TYR H 1 124 LEU HA 7.000 . 7.000 6.823 6.451 7.012 0.012 2 0 "[ . 1]" 1
267 1 25 TYR H 1 123 ALA H 7.000 . 7.000 5.116 4.911 5.336 . 0 0 "[ . 1]" 1
268 1 25 TYR H 1 123 ALA HA 4.500 . 4.500 3.849 3.492 4.333 . 0 0 "[ . 1]" 1
269 1 25 TYR H 1 123 ALA MB 5.500 . 6.500 5.027 4.734 5.448 . 0 0 "[ . 1]" 1
270 1 25 TYR H 1 122 ILE H . . 4.200 3.230 2.893 3.611 . 0 0 "[ . 1]" 1
271 1 25 TYR H 1 122 ILE HB 7.000 . 7.000 4.502 4.205 5.498 . 0 0 "[ . 1]" 1
272 1 25 TYR H 1 122 ILE MG 5.500 . 6.500 4.516 2.836 4.888 . 0 0 "[ . 1]" 1
273 1 25 TYR H 1 122 ILE MD 5.500 . 6.500 3.688 3.180 5.546 . 0 0 "[ . 1]" 1
274 1 25 TYR H 1 121 LEU HA 7.000 . 7.000 4.933 4.466 5.428 . 0 0 "[ . 1]" 1
275 1 25 TYR H 1 121 LEU HG 5.500 . 5.500 4.440 3.709 5.028 . 0 0 "[ . 1]" 1
276 1 25 TYR H 1 26 GLU H 7.000 . 7.000 4.449 4.408 4.491 . 0 0 "[ . 1]" 1
277 1 23 GLU QB 1 25 TYR H 7.000 . 7.700 5.745 5.219 6.187 . 0 0 "[ . 1]" 1
278 1 25 TYR HA 1 25 TYR QD 3.200 . 5.700 2.777 1.911 3.705 . 0 0 "[ . 1]" 1
279 1 25 TYR HA 1 25 TYR QE 5.500 . 8.000 4.538 4.131 5.652 . 0 0 "[ . 1]" 1
280 1 25 TYR HA 1 122 ILE H 7.000 . 7.000 5.185 5.035 5.421 . 0 0 "[ . 1]" 1
281 1 25 TYR HA 1 26 GLU H 3.200 . 3.200 2.484 2.298 2.572 . 0 0 "[ . 1]" 1
282 1 24 THR MG 1 25 TYR HA 5.500 . 6.500 5.476 5.432 5.536 . 0 0 "[ . 1]" 1
283 1 25 TYR QB 1 122 ILE H 7.000 . 7.700 4.221 3.690 5.439 . 0 0 "[ . 1]" 1
284 1 25 TYR QB 1 26 GLU H 5.500 . 6.200 2.510 2.166 3.135 . 0 0 "[ . 1]" 1
285 1 25 TYR QB 1 95 LEU QD 7.000 . 9.700 2.772 2.130 3.790 . 0 0 "[ . 1]" 1
286 1 26 GLU H 1 59 ALA H 7.000 . 7.000 7.067 7.025 7.111 0.111 7 0 "[ . 1]" 1
287 1 26 GLU H 1 121 LEU QD 7.000 . 9.000 5.342 4.818 6.160 . 0 0 "[ . 1]" 1
288 1 26 GLU H 1 27 ALA H 7.000 . 7.000 4.342 4.294 4.415 . 0 0 "[ . 1]" 1
289 1 25 TYR QD 1 26 GLU H 5.500 . 8.000 3.079 2.167 4.245 . 0 0 "[ . 1]" 1
290 1 25 TYR QE 1 26 GLU H 7.000 . 9.500 4.963 3.668 6.373 . 0 0 "[ . 1]" 1
291 1 26 GLU HA 1 122 ILE H 5.500 . 5.500 3.708 3.385 3.987 . 0 0 "[ . 1]" 1
292 1 26 GLU HA 1 121 LEU HA 3.200 . 3.200 3.179 3.091 3.214 0.014 10 0 "[ . 1]" 1
293 1 26 GLU HA 1 27 ALA H 5.500 . 5.500 2.160 2.141 2.225 . 0 0 "[ . 1]" 1
294 1 26 GLU QB 1 27 ALA H . . 6.200 3.231 2.802 3.674 . 0 0 "[ . 1]" 1
295 1 27 ALA H 1 121 LEU HA 4.500 . 4.500 3.914 3.648 4.248 . 0 0 "[ . 1]" 1
296 1 27 ALA H 1 120 VAL H . . 4.200 3.444 3.051 3.806 . 0 0 "[ . 1]" 1
297 1 27 ALA H 1 87 LEU QD 7.000 . 9.000 4.243 3.704 5.547 . 0 0 "[ . 1]" 1
298 1 27 ALA H 1 85 LEU QD 7.000 . 9.000 3.993 3.784 4.286 . 0 0 "[ . 1]" 1
299 1 27 ALA H 1 28 GLY H 7.000 . 7.000 4.406 4.296 4.439 . 0 0 "[ . 1]" 1
300 1 27 ALA HA 1 88 HIS H 7.000 . 7.000 6.580 6.251 7.008 0.008 7 0 "[ . 1]" 1
301 1 27 ALA HA 1 87 LEU HA 5.500 . 5.500 4.132 3.529 4.624 . 0 0 "[ . 1]" 1
302 1 27 ALA HA 1 87 LEU HG 7.000 . 7.000 5.325 4.665 5.987 . 0 0 "[ . 1]" 1
303 1 27 ALA HA 1 87 LEU QD 4.500 . 6.500 2.686 2.064 4.176 . 0 0 "[ . 1]" 1
304 1 27 ALA HA 1 86 LEU H 7.000 . 7.000 4.449 3.472 5.149 . 0 0 "[ . 1]" 1
305 1 27 ALA HA 1 86 LEU HA 7.000 . 7.000 5.625 5.266 6.068 . 0 0 "[ . 1]" 1
306 1 27 ALA HA 1 86 LEU QB 7.000 . 7.700 4.636 4.251 5.474 . 0 0 "[ . 1]" 1
307 1 27 ALA HA 1 86 LEU HG 7.000 . 7.000 6.718 5.956 7.017 0.017 1 0 "[ . 1]" 1
308 1 27 ALA HA 1 86 LEU QD 7.000 . 9.000 5.515 4.717 6.200 . 0 0 "[ . 1]" 1
309 1 27 ALA HA 1 29 ILE H 7.000 . 7.000 6.053 5.918 6.153 . 0 0 "[ . 1]" 1
310 1 27 ALA HA 1 28 GLY H 3.200 . 3.200 2.293 2.160 2.436 . 0 0 "[ . 1]" 1
311 1 27 ALA HA 1 28 GLY QA 5.500 . 6.200 3.906 3.900 3.921 . 0 0 "[ . 1]" 1
312 1 27 ALA MB 1 120 VAL H 5.500 . 6.500 3.689 3.450 4.086 . 0 0 "[ . 1]" 1
313 1 27 ALA MB 1 119 LYS HA 5.500 . 6.500 4.986 4.658 5.430 . 0 0 "[ . 1]" 1
314 1 27 ALA MB 1 87 LEU QD 5.500 . 8.500 2.709 2.059 3.375 . 0 0 "[ . 1]" 1
315 1 27 ALA MB 1 86 LEU H 5.500 . 6.500 4.023 3.115 4.977 . 0 0 "[ . 1]" 1
316 1 27 ALA MB 1 28 GLY H 4.200 . 5.200 2.813 2.445 3.215 . 0 0 "[ . 1]" 1
317 1 28 GLY H 1 120 VAL HB 7.000 . 7.000 6.000 5.600 6.857 . 0 0 "[ . 1]" 1
318 1 28 GLY H 1 86 LEU H 5.500 . 5.500 2.672 2.165 3.557 . 0 0 "[ . 1]" 1
319 1 28 GLY H 1 86 LEU HG 7.000 . 7.000 5.501 4.429 6.120 . 0 0 "[ . 1]" 1
320 1 28 GLY H 1 86 LEU QD 7.000 . 9.000 4.394 2.950 5.210 . 0 0 "[ . 1]" 1
321 1 28 GLY H 1 29 ILE H 7.000 . 7.000 4.340 4.309 4.445 . 0 0 "[ . 1]" 1
322 1 28 GLY H 1 29 ILE MG 7.000 . 8.000 5.790 4.800 6.435 . 0 0 "[ . 1]" 1
323 1 28 GLY QA 1 120 VAL H 7.000 . 7.700 3.222 2.919 3.508 . 0 0 "[ . 1]" 1
324 1 28 GLY QA 1 119 LYS HA 5.500 . 6.200 2.435 2.196 3.028 . 0 0 "[ . 1]" 1
325 1 28 GLY QA 1 86 LEU H 7.000 . 7.700 3.688 3.457 4.046 . 0 0 "[ . 1]" 1
326 1 28 GLY QA 1 86 LEU QB 7.000 . 8.400 3.828 3.538 4.094 . 0 0 "[ . 1]" 1
327 1 28 GLY QA 1 86 LEU QD 7.000 . 9.700 4.201 2.607 5.050 . 0 0 "[ . 1]" 1
328 1 28 GLY QA 1 29 ILE H 5.500 . 6.200 2.114 2.100 2.127 . 0 0 "[ . 1]" 1
329 1 28 GLY QA 1 29 ILE MG 7.000 . 8.700 4.567 3.683 5.065 . 0 0 "[ . 1]" 1
330 1 29 ILE H 1 29 ILE MG 3.200 . 4.200 3.319 1.988 3.807 . 0 0 "[ . 1]" 1
331 1 29 ILE HA 1 29 ILE MD 4.200 . 5.200 3.764 2.120 4.161 . 0 0 "[ . 1]" 1
332 1 29 ILE HA 1 86 LEU H 4.200 . 4.200 4.181 3.970 4.255 0.055 7 0 "[ . 1]" 1
333 1 29 ILE HA 1 85 LEU HA 3.600 . 3.600 2.695 2.502 2.854 . 0 0 "[ . 1]" 1
334 1 29 ILE HA 1 85 LEU QB 5.500 . 6.200 3.672 3.023 3.970 . 0 0 "[ . 1]" 1
335 1 29 ILE HA 1 85 LEU HG 7.000 . 7.000 3.575 2.042 5.572 . 0 0 "[ . 1]" 1
336 1 29 ILE HA 1 85 LEU QD 5.500 . 7.500 3.010 2.321 3.473 . 0 0 "[ . 1]" 1
337 1 29 ILE HA 1 30 VAL H 3.600 . 3.600 2.305 2.149 2.462 . 0 0 "[ . 1]" 1
338 1 29 ILE HB 1 30 VAL H 7.000 . 7.000 3.452 2.370 4.020 . 0 0 "[ . 1]" 1
339 1 29 ILE HB 1 85 LEU HA 5.500 . 5.500 5.217 4.232 5.545 0.045 3 0 "[ . 1]" 1
340 1 29 ILE MG 1 118 VAL H 7.000 . 8.000 4.647 2.110 5.964 . 0 0 "[ . 1]" 1
341 1 29 ILE MG 1 118 VAL HB 4.200 . 5.200 3.827 1.817 4.540 . 0 0 "[ . 1]" 1
342 1 29 ILE MG 1 118 VAL QG 4.200 . 7.200 3.151 1.943 3.784 . 0 0 "[ . 1]" 1
343 1 29 ILE MG 1 85 LEU HA 7.000 . 8.000 3.980 2.800 5.302 . 0 0 "[ . 1]" 1
344 1 29 ILE MG 1 85 LEU QB 7.000 . 8.700 4.256 2.220 5.169 . 0 0 "[ . 1]" 1
345 1 29 ILE MG 1 31 LEU H 7.000 . 8.000 4.363 1.803 6.323 . 0 0 "[ . 1]" 1
346 1 29 ILE MG 1 30 VAL H 5.500 . 6.500 2.625 1.894 3.584 . 0 0 "[ . 1]" 1
347 1 29 ILE MD 1 118 VAL QG 7.000 . 10.000 2.612 1.858 4.684 . 0 0 "[ . 1]" 1
348 1 29 ILE MD 1 85 LEU HA 7.000 . 8.000 5.240 3.382 5.783 . 0 0 "[ . 1]" 1
349 1 29 ILE MD 1 30 VAL H 5.500 . 6.500 4.366 1.969 5.126 . 0 0 "[ . 1]" 1
350 1 30 VAL H 1 30 VAL HB 4.200 . 4.200 3.450 2.943 3.857 . 0 0 "[ . 1]" 1
351 1 30 VAL H 1 85 LEU HA 5.500 . 5.500 4.356 3.971 4.942 . 0 0 "[ . 1]" 1
352 1 30 VAL H 1 84 LYS H 7.000 . 7.000 4.736 4.101 5.459 . 0 0 "[ . 1]" 1
353 1 30 VAL H 1 31 LEU H . . 4.200 3.892 2.263 4.245 0.045 8 0 "[ . 1]" 1
354 1 30 VAL HA 1 31 LEU H 3.600 . 3.600 2.356 2.138 3.332 . 0 0 "[ . 1]" 1
355 1 30 VAL HB 1 31 LEU QD 7.000 . 9.000 4.929 4.380 5.539 . 0 0 "[ . 1]" 1
356 1 30 VAL QG 1 31 LEU H 3.600 . 5.600 2.953 1.713 3.720 . 0 0 "[ . 1]" 1
357 1 31 LEU H 1 31 LEU QB 3.600 . 4.300 2.943 2.367 3.290 . 0 0 "[ . 1]" 1
358 1 31 LEU H 1 31 LEU HG 3.200 . 3.200 2.953 2.057 3.421 0.221 9 0 "[ . 1]" 1
359 1 31 LEU H 1 31 LEU QD 4.500 . 6.500 2.355 1.682 3.022 . 0 0 "[ . 1]" 1
360 1 31 LEU H 1 32 LYS H 7.000 . 7.000 4.467 4.360 4.648 . 0 0 "[ . 1]" 1
361 1 30 VAL HB 1 31 LEU H 5.500 . 5.500 3.958 3.351 4.379 . 0 0 "[ . 1]" 1
362 1 31 LEU HA 1 31 LEU HG 3.600 . 3.600 3.233 2.229 3.672 0.072 9 0 "[ . 1]" 1
363 1 31 LEU HA 1 32 LYS H 4.200 . 4.200 2.543 2.321 2.676 . 0 0 "[ . 1]" 1
364 1 31 LEU QD 1 118 VAL H 7.000 . 9.000 3.799 2.452 5.461 . 0 0 "[ . 1]" 1
365 1 31 LEU QD 1 36 VAL QG 5.500 . 9.500 2.318 1.627 3.817 . 0 0 "[ . 1]" 1
366 1 31 LEU QD 1 35 GLU H 7.000 . 9.000 3.850 2.506 5.180 . 0 0 "[ . 1]" 1
367 1 31 LEU QD 1 35 GLU HA 7.000 . 9.000 4.438 3.536 5.511 . 0 0 "[ . 1]" 1
368 1 31 LEU QD 1 35 GLU QB 5.500 . 8.200 2.343 1.578 3.952 . 0 0 "[ . 1]" 1
369 1 31 LEU QD 1 32 LYS H 5.500 . 7.500 3.311 2.813 3.917 . 0 0 "[ . 1]" 1
370 1 30 VAL H 1 31 LEU QD 7.000 . 9.000 4.011 2.618 5.489 . 0 0 "[ . 1]" 1
371 1 32 LYS H 1 32 LYS QE 7.000 . 7.700 5.367 4.663 6.150 . 0 0 "[ . 1]" 1
372 1 32 LYS H 1 36 VAL H 7.000 . 7.000 5.009 3.840 6.345 . 0 0 "[ . 1]" 1
373 1 32 LYS H 1 35 GLU H 7.000 . 7.000 4.489 3.010 6.325 . 0 0 "[ . 1]" 1
374 1 31 LEU QB 1 32 LYS H 4.500 . 5.200 2.171 1.901 2.599 . 0 0 "[ . 1]" 1
375 1 31 LEU HG 1 32 LYS H 4.500 . 4.500 3.777 3.298 4.515 0.015 9 0 "[ . 1]" 1
376 1 33 GLY QA 1 36 VAL H 7.000 . 7.700 4.632 3.487 5.848 . 0 0 "[ . 1]" 1
377 1 33 GLY QA 1 36 VAL QG 7.000 . 9.700 4.081 2.550 5.928 . 0 0 "[ . 1]" 1
378 1 34 SER HA 1 37 LYS H 7.000 . 7.000 3.728 3.545 3.990 . 0 0 "[ . 1]" 1
379 1 34 SER HA 1 37 LYS QB 7.000 . 7.700 3.546 2.973 4.638 . 0 0 "[ . 1]" 1
380 1 34 SER HA 1 37 LYS QG 7.000 . 7.700 4.419 2.723 5.635 . 0 0 "[ . 1]" 1
381 1 34 SER HA 1 37 LYS QE 7.000 . 7.700 5.091 2.082 7.052 . 0 0 "[ . 1]" 1
382 1 34 SER QB 1 37 LYS H 5.500 . 6.200 5.077 4.401 5.429 . 0 0 "[ . 1]" 1
383 1 34 SER QB 1 35 GLU H . . 6.200 3.323 2.664 4.018 . 0 0 "[ . 1]" 1
384 1 35 GLU H 1 35 GLU QG 4.200 . 4.900 2.785 1.962 3.896 . 0 0 "[ . 1]" 1
385 1 35 GLU H 1 37 LYS H 5.500 . 5.500 4.503 4.283 4.808 . 0 0 "[ . 1]" 1
386 1 35 GLU H 1 36 VAL H 5.500 . 5.500 2.727 2.586 2.924 . 0 0 "[ . 1]" 1
387 1 35 GLU H 1 36 VAL HA 7.000 . 7.000 5.304 5.177 5.462 . 0 0 "[ . 1]" 1
388 1 34 SER HA 1 35 GLU H 7.000 . 7.000 3.343 2.991 3.553 . 0 0 "[ . 1]" 1
389 1 33 GLY QA 1 35 GLU H 7.000 . 7.700 3.651 3.138 4.058 . 0 0 "[ . 1]" 1
390 1 32 LYS HA 1 35 GLU H 5.500 . 5.500 5.417 4.713 5.543 0.043 6 0 "[ . 1]" 1
391 1 31 LEU HG 1 35 GLU H 5.500 . 5.500 5.482 5.358 5.538 0.038 6 0 "[ . 1]" 1
392 1 35 GLU HA 1 39 LEU H 7.000 . 7.000 3.816 3.548 4.556 . 0 0 "[ . 1]" 1
393 1 35 GLU HA 1 38 SER H 5.500 . 5.500 3.804 3.637 3.990 . 0 0 "[ . 1]" 1
394 1 35 GLU HA 1 37 LYS H 5.500 . 5.500 4.700 4.538 4.887 . 0 0 "[ . 1]" 1
395 1 35 GLU QB 1 36 VAL H 4.500 . 4.900 2.462 2.348 2.564 . 0 0 "[ . 1]" 1
396 1 35 GLU QB 1 37 LYS H 7.000 . 7.700 4.870 4.746 4.992 . 0 0 "[ . 1]" 1
397 1 32 LYS H 1 35 GLU QB 7.000 . 7.700 3.591 1.923 5.660 . 0 0 "[ . 1]" 1
398 1 36 VAL H 1 36 VAL HB 3.200 . 3.200 2.631 2.303 2.746 . 0 0 "[ . 1]" 1
399 1 36 VAL H 1 36 VAL QG 3.600 . 5.600 2.033 1.866 2.480 . 0 0 "[ . 1]" 1
400 1 36 VAL H 1 39 LEU H 7.000 . 7.000 5.078 4.965 5.266 . 0 0 "[ . 1]" 1
401 1 36 VAL H 1 37 LYS H . . 4.200 3.008 2.921 3.094 . 0 0 "[ . 1]" 1
402 1 35 GLU HA 1 36 VAL H 4.500 . 4.500 3.551 3.538 3.556 . 0 0 "[ . 1]" 1
403 1 35 GLU QG 1 36 VAL H 7.000 . 7.700 4.111 3.636 4.402 . 0 0 "[ . 1]" 1
404 1 31 LEU HG 1 36 VAL H 5.500 . 5.500 4.391 3.453 5.036 . 0 0 "[ . 1]" 1
405 1 36 VAL HA 1 40 ARG H 7.000 . 7.000 4.055 4.022 4.111 . 0 0 "[ . 1]" 1
406 1 36 VAL HA 1 39 LEU H . . 4.500 4.329 3.949 4.527 0.027 2 0 "[ . 1]" 1
407 1 36 VAL HA 1 39 LEU QB 4.500 . 5.200 3.808 3.631 4.019 . 0 0 "[ . 1]" 1
408 1 36 VAL HA 1 39 LEU HG 5.500 . 5.500 4.758 3.997 5.453 . 0 0 "[ . 1]" 1
409 1 36 VAL HA 1 39 LEU QD 4.500 . 6.500 3.529 2.886 4.058 . 0 0 "[ . 1]" 1
410 1 36 VAL HA 1 38 SER QB 7.000 . 7.700 5.609 5.105 6.153 . 0 0 "[ . 1]" 1
411 1 36 VAL HA 1 37 LYS H 4.500 . 4.500 3.567 3.541 3.585 . 0 0 "[ . 1]" 1
412 1 36 VAL HA 1 118 VAL QG 7.000 . 7.500 4.764 4.326 5.199 . 0 0 "[ . 1]" 1
413 1 36 VAL HA 1 113 TRP HD1 7.000 . 7.000 7.045 6.987 7.083 0.083 2 0 "[ . 1]" 1
414 1 36 VAL HA 1 113 TRP HZ2 7.000 . 7.000 3.697 3.430 3.890 . 0 0 "[ . 1]" 1
415 1 36 VAL HB 1 113 TRP HZ3 7.000 . 7.000 5.062 3.955 5.659 . 0 0 "[ . 1]" 1
416 1 36 VAL HB 1 37 LYS H 3.600 . 3.600 2.555 2.195 3.649 0.049 5 0 "[ . 1]" 1
417 1 36 VAL QG 1 118 VAL QG 7.000 . 11.000 4.027 3.346 4.886 . 0 0 "[ . 1]" 1
418 1 36 VAL QG 1 113 TRP HZ2 5.500 . 7.500 3.586 2.978 4.024 . 0 0 "[ . 1]" 1
419 1 36 VAL QG 1 40 ARG QD 7.000 . 9.700 3.817 2.826 5.186 . 0 0 "[ . 1]" 1
420 1 36 VAL QG 1 37 LYS H 5.500 . 7.500 2.824 1.783 3.173 . 0 0 "[ . 1]" 1
421 1 37 LYS H 1 37 LYS QB 3.600 . 4.300 2.273 2.062 2.584 . 0 0 "[ . 1]" 1
422 1 37 LYS H 1 37 LYS QG 3.600 . 4.300 2.773 1.976 3.626 . 0 0 "[ . 1]" 1
423 1 37 LYS HA 1 40 ARG H 3.600 . 3.600 3.630 3.618 3.642 0.042 2 0 "[ . 1]" 1
424 1 37 LYS HA 1 40 ARG QB 5.500 . 6.200 2.625 2.366 3.183 . 0 0 "[ . 1]" 1
425 1 37 LYS HA 1 40 ARG QG 7.000 . 7.700 3.834 1.951 4.534 . 0 0 "[ . 1]" 1
426 1 37 LYS HA 1 40 ARG QD 5.500 . 6.200 3.463 2.097 5.257 . 0 0 "[ . 1]" 1
427 1 38 SER H 1 38 SER QB 3.600 . 4.300 2.315 2.057 2.606 . 0 0 "[ . 1]" 1
428 1 38 SER H 1 40 ARG H 7.000 . 7.000 4.406 4.369 4.449 . 0 0 "[ . 1]" 1
429 1 38 SER H 1 39 LEU H 5.500 . 5.500 2.989 2.957 3.013 . 0 0 "[ . 1]" 1
430 1 38 SER H 1 39 LEU QB 7.000 . 7.700 5.036 4.701 5.191 . 0 0 "[ . 1]" 1
431 1 38 SER H 1 39 LEU HG 7.000 . 7.000 4.834 4.409 6.279 . 0 0 "[ . 1]" 1
432 1 37 LYS HA 1 38 SER H 3.600 . 3.600 3.570 3.564 3.577 . 0 0 "[ . 1]" 1
433 1 37 LYS QB 1 38 SER H 3.600 . 4.300 2.584 2.390 3.269 . 0 0 "[ . 1]" 1
434 1 37 LYS QG 1 38 SER H 5.500 . 6.200 4.003 1.907 4.402 . 0 0 "[ . 1]" 1
435 1 38 SER HA 1 41 GLU H . . 5.500 4.176 4.004 4.280 . 0 0 "[ . 1]" 1
436 1 38 SER HA 1 41 GLU QB 5.500 . 6.200 3.683 3.096 4.536 . 0 0 "[ . 1]" 1
437 1 38 SER HA 1 41 GLU QG 5.500 . 6.200 3.852 2.542 5.399 . 0 0 "[ . 1]" 1
438 1 38 SER HA 1 39 LEU H 4.200 . 4.200 3.565 3.556 3.573 . 0 0 "[ . 1]" 1
439 1 35 GLU HA 1 38 SER HA 7.000 . 7.000 5.566 5.437 5.685 . 0 0 "[ . 1]" 1
440 1 38 SER QB 1 39 LEU H 3.600 . 4.300 2.423 2.186 3.255 . 0 0 "[ . 1]" 1
441 1 35 GLU HA 1 38 SER QB 4.200 . 4.900 2.843 2.682 3.281 . 0 0 "[ . 1]" 1
442 1 39 LEU H 1 39 LEU HG 3.600 . 3.600 2.291 1.923 3.726 0.126 5 0 "[ . 1]" 1
443 1 39 LEU H 1 113 TRP HZ2 7.000 . 7.000 4.272 4.064 4.391 . 0 0 "[ . 1]" 1
444 1 39 LEU H 1 40 ARG H 4.500 . 4.500 2.713 2.658 2.784 . 0 0 "[ . 1]" 1
445 1 37 LYS HA 1 39 LEU H 7.000 . 7.000 4.655 4.601 4.777 . 0 0 "[ . 1]" 1
446 1 39 LEU HA 1 39 LEU HG 4.200 . 4.200 3.097 2.748 3.588 . 0 0 "[ . 1]" 1
447 1 39 LEU HA 1 39 LEU QD 3.200 . 5.200 2.231 1.949 2.682 . 0 0 "[ . 1]" 1
448 1 39 LEU HA 1 113 TRP HH2 5.500 . 5.500 4.705 4.638 4.842 . 0 0 "[ . 1]" 1
449 1 39 LEU HA 1 113 TRP HZ3 7.000 . 7.000 6.690 6.034 7.005 0.005 5 0 "[ . 1]" 1
450 1 39 LEU HA 1 40 ARG H 4.500 . 4.500 3.576 3.558 3.597 . 0 0 "[ . 1]" 1
451 1 39 LEU QB 1 113 TRP HZ2 7.000 . 7.700 2.657 2.124 3.655 . 0 0 "[ . 1]" 1
452 1 39 LEU QB 1 113 TRP HZ3 7.000 . 7.700 3.707 3.160 4.115 . 0 0 "[ . 1]" 1
453 1 39 LEU QB 1 113 TRP HE1 7.000 . 7.700 4.877 4.441 6.027 . 0 0 "[ . 1]" 1
454 1 39 LEU QB 1 40 ARG H 4.200 . 4.900 2.476 2.390 2.960 . 0 0 "[ . 1]" 1
455 1 39 LEU HG 1 113 TRP HZ2 7.000 . 7.000 4.711 1.948 5.510 . 0 0 "[ . 1]" 1
456 1 39 LEU HG 1 40 ARG H 4.500 . 4.500 4.009 2.441 4.510 0.010 7 0 "[ . 1]" 1
457 1 39 LEU QD 1 118 VAL QG 5.500 . 9.500 3.301 2.393 4.017 . 0 0 "[ . 1]" 1
458 1 39 LEU QD 1 113 TRP HE1 7.000 . 9.000 5.356 3.951 5.888 . 0 0 "[ . 1]" 1
459 1 39 LEU QD 1 113 TRP HZ2 7.000 . 9.000 3.772 2.891 4.154 . 0 0 "[ . 1]" 1
460 1 39 LEU QD 1 40 ARG H 7.000 . 9.000 3.855 3.312 4.022 . 0 0 "[ . 1]" 1
461 1 40 ARG H 1 40 ARG QG 4.500 . 5.200 3.588 2.820 3.968 . 0 0 "[ . 1]" 1
462 1 40 ARG H 1 41 GLU H 4.200 . 4.200 2.942 2.889 3.015 . 0 0 "[ . 1]" 1
463 1 40 ARG H 1 113 TRP HZ2 5.500 . 5.500 2.097 1.984 2.235 . 0 0 "[ . 1]" 1
464 1 40 ARG H 1 113 TRP HZ3 7.000 . 7.000 5.204 4.896 5.491 . 0 0 "[ . 1]" 1
465 1 40 ARG HA 1 113 TRP HD1 5.500 . 5.500 5.556 5.528 5.578 0.078 3 0 "[ . 1]" 1
466 1 40 ARG HA 1 113 TRP HE1 5.500 . 5.500 3.025 2.969 3.169 . 0 0 "[ . 1]" 1
467 1 40 ARG HA 1 113 TRP HZ2 4.200 . 4.200 2.451 2.267 2.629 . 0 0 "[ . 1]" 1
468 1 40 ARG HA 1 41 GLU H 4.500 . 4.500 3.562 3.548 3.583 . 0 0 "[ . 1]" 1
469 1 40 ARG QB 1 41 GLU H 4.200 . 4.900 2.534 2.223 3.284 . 0 0 "[ . 1]" 1
470 1 41 GLU H 1 41 GLU QB 3.600 . 4.300 2.362 2.096 2.685 . 0 0 "[ . 1]" 1
471 1 41 GLU H 1 41 GLU QG 4.500 . 5.200 2.517 1.874 3.830 . 0 0 "[ . 1]" 1
472 1 41 GLU H 1 113 TRP HH2 7.000 . 7.000 5.761 5.413 6.159 . 0 0 "[ . 1]" 1
473 1 41 GLU H 1 113 TRP HZ2 7.000 . 7.000 4.615 4.503 4.857 . 0 0 "[ . 1]" 1
474 1 41 GLU H 1 43 GLY H 7.000 . 7.000 5.116 4.929 5.204 . 0 0 "[ . 1]" 1
475 1 41 GLU H 1 42 LYS H 4.200 . 4.200 2.973 2.723 3.148 . 0 0 "[ . 1]" 1
476 1 40 ARG QG 1 41 GLU H 7.000 . 7.700 3.493 1.907 4.273 . 0 0 "[ . 1]" 1
477 1 40 ARG QD 1 41 GLU H 7.000 . 7.700 4.002 2.794 4.769 . 0 0 "[ . 1]" 1
478 1 39 LEU HA 1 41 GLU H 5.500 . 5.500 4.560 4.489 4.725 . 0 0 "[ . 1]" 1
479 1 37 LYS HA 1 41 GLU H 7.000 . 7.000 3.677 3.619 3.807 . 0 0 "[ . 1]" 1
480 1 41 GLU QB 1 42 LYS H 4.500 . 4.900 2.475 1.981 3.275 . 0 0 "[ . 1]" 1
481 1 41 GLU QG 1 42 LYS H 7.000 . 7.700 3.401 1.903 4.178 . 0 0 "[ . 1]" 1
482 1 42 LYS H 1 43 GLY H 4.200 . 4.200 3.117 2.912 3.313 . 0 0 "[ . 1]" 1
483 1 42 LYS H 1 43 GLY QA 7.000 . 7.700 4.146 3.793 4.718 . 0 0 "[ . 1]" 1
484 1 41 GLU HA 1 42 LYS H 4.200 . 4.200 3.580 3.564 3.595 . 0 0 "[ . 1]" 1
485 1 42 LYS HA 1 43 GLY H 3.600 . 3.600 2.712 2.310 3.554 . 0 0 "[ . 1]" 1
486 1 42 LYS QB 1 43 GLY H . . 6.200 3.367 1.898 4.047 . 0 0 "[ . 1]" 1
487 1 43 GLY H 1 44 THR H 5.500 . 5.500 3.874 2.089 4.642 . 0 0 "[ . 1]" 1
488 1 42 LYS QG 1 43 GLY H 5.500 . 6.200 3.822 2.645 4.361 . 0 0 "[ . 1]" 1
489 1 41 GLU HA 1 43 GLY H 7.000 . 7.000 5.827 5.558 5.969 . 0 0 "[ . 1]" 1
490 1 43 GLY QA 1 44 THR H . . 4.300 2.366 2.168 2.743 . 0 0 "[ . 1]" 1
491 1 44 THR H 1 44 THR HB 4.200 . 4.200 3.358 2.756 3.877 . 0 0 "[ . 1]" 1
492 1 44 THR H 1 44 THR MG 4.200 . 5.200 3.388 2.213 4.002 . 0 0 "[ . 1]" 1
493 1 44 THR H 1 67 ALA H 7.000 . 7.000 5.314 2.863 6.832 . 0 0 "[ . 1]" 1
494 1 44 THR H 1 45 VAL QG 7.000 . 9.000 3.679 2.975 4.981 . 0 0 "[ . 1]" 1
495 1 44 THR HA 1 44 THR MG 3.200 . 4.200 2.363 2.125 3.225 . 0 0 "[ . 1]" 1
496 1 44 THR HA 1 45 VAL H 3.200 . 3.200 2.538 2.137 3.208 0.008 4 0 "[ . 1]" 1
497 1 44 THR HA 1 45 VAL HA 5.500 . 5.500 4.582 4.392 4.868 . 0 0 "[ . 1]" 1
498 1 44 THR HA 1 45 VAL HB 5.500 . 5.500 4.954 4.469 5.547 0.047 4 0 "[ . 1]" 1
499 1 44 THR HA 1 45 VAL QG 7.000 . 9.000 3.690 3.067 4.546 . 0 0 "[ . 1]" 1
500 1 44 THR HB 1 67 ALA H 5.500 . 5.500 4.002 2.886 4.857 . 0 0 "[ . 1]" 1
501 1 44 THR HB 1 67 ALA HA 5.500 . 5.500 5.149 4.587 5.511 0.011 7 0 "[ . 1]" 1
502 1 44 THR HB 1 45 VAL H . . 3.600 3.058 1.645 3.638 0.038 4 0 "[ . 1]" 1
503 1 44 THR HB 1 45 VAL HB 7.000 . 7.000 5.446 3.905 6.107 . 0 0 "[ . 1]" 1
504 1 44 THR MG 1 45 VAL H 4.200 . 5.200 3.095 1.936 4.255 . 0 0 "[ . 1]" 1
505 1 44 THR MG 1 67 ALA MB 7.000 . 9.000 3.562 2.365 4.748 . 0 0 "[ . 1]" 1
506 1 45 VAL H 1 45 VAL HB 3.200 . 3.200 2.982 2.493 3.250 0.050 1 0 "[ . 1]" 1
507 1 45 VAL H 1 46 SER H 7.000 . 7.000 3.845 2.600 4.608 . 0 0 "[ . 1]" 1
508 1 45 VAL H 1 46 SER QB 7.000 . 7.700 5.054 4.064 5.945 . 0 0 "[ . 1]" 1
509 1 45 VAL HA 1 67 ALA H 5.500 . 5.500 3.518 2.383 4.921 . 0 0 "[ . 1]" 1
510 1 45 VAL HA 1 66 ILE HA 3.600 . 3.600 3.161 2.335 3.615 0.015 1 0 "[ . 1]" 1
511 1 45 VAL HA 1 65 TYR QB 7.000 . 7.700 4.818 3.291 6.465 . 0 0 "[ . 1]" 1
512 1 45 VAL HA 1 46 SER QB 5.500 . 6.200 4.534 3.917 5.170 . 0 0 "[ . 1]" 1
513 1 45 VAL QG 1 46 SER H . . 5.200 2.691 1.860 3.709 . 0 0 "[ . 1]" 1
514 1 46 SER H 1 66 ILE HA 5.500 . 5.500 4.163 2.692 5.443 . 0 0 "[ . 1]" 1
515 1 46 SER H 1 47 PHE QD 7.000 . 9.500 5.406 3.578 6.770 . 0 0 "[ . 1]" 1
516 1 45 VAL HA 1 46 SER H 3.200 . 3.200 2.386 2.150 2.793 . 0 0 "[ . 1]" 1
517 1 45 VAL HB 1 46 SER H 5.500 . 5.500 4.047 2.432 4.659 . 0 0 "[ . 1]" 1
518 1 46 SER QB 1 47 PHE H 7.000 . 7.700 2.966 1.978 3.972 . 0 0 "[ . 1]" 1
519 1 46 SER QB 1 47 PHE QD 7.000 . 10.200 4.400 2.543 5.407 . 0 0 "[ . 1]" 1
520 1 45 VAL QG 1 46 SER QB 5.500 . 8.200 3.846 2.440 4.798 . 0 0 "[ . 1]" 1
521 1 47 PHE H 1 47 PHE QD 4.500 . 7.000 4.057 3.370 4.536 . 0 0 "[ . 1]" 1
522 1 47 PHE H 1 47 PHE QE 7.000 . 9.500 5.976 4.579 6.467 . 0 0 "[ . 1]" 1
523 1 47 PHE H 1 48 LYS H . . 5.500 3.537 2.228 4.624 . 0 0 "[ . 1]" 1
524 1 46 SER HA 1 47 PHE H 5.500 . 5.500 2.763 2.151 3.572 . 0 0 "[ . 1]" 1
525 1 48 LYS H 1 49 ASP H 5.500 . 5.500 3.514 1.999 4.569 . 0 0 "[ . 1]" 1
526 1 47 PHE HA 1 48 LYS H 5.500 . 5.500 2.753 2.139 3.571 . 0 0 "[ . 1]" 1
527 1 47 PHE QB 1 48 LYS H 7.000 . 7.700 2.774 1.925 3.966 . 0 0 "[ . 1]" 1
528 1 47 PHE QD 1 48 LYS H 7.000 . 9.500 3.417 2.034 4.909 . 0 0 "[ . 1]" 1
529 1 46 SER QB 1 48 LYS H 7.000 . 7.700 5.541 3.197 6.545 . 0 0 "[ . 1]" 1
530 1 48 LYS HA 1 49 ASP H 3.200 . 3.200 2.550 2.149 2.936 . 0 0 "[ . 1]" 1
531 1 49 ASP HA 1 50 SER H 4.200 . 4.200 2.912 2.326 3.388 . 0 0 "[ . 1]" 1
532 1 49 ASP QB 1 50 SER H 5.500 . 6.200 3.711 3.251 3.993 . 0 0 "[ . 1]" 1
533 1 50 SER H 1 51 PHE QD 7.000 . 9.500 4.471 3.470 5.422 . 0 0 "[ . 1]" 1
534 1 49 ASP H 1 50 SER H 4.200 . 4.200 2.365 1.901 3.057 . 0 0 "[ . 1]" 1
535 1 50 SER H 1 65 TYR HA 7.000 . 7.000 7.025 7.014 7.045 0.045 9 0 "[ . 1]" 1
536 1 50 SER H 1 64 LEU QD 8.000 . 10.000 5.278 3.872 6.705 . 0 0 "[ . 1]" 1
537 1 50 SER H 1 63 ASN QB 7.000 . 7.700 5.692 4.998 7.304 . 0 0 "[ . 1]" 1
538 1 50 SER HA 1 63 ASN HA 3.200 . 3.200 2.345 2.131 2.851 . 0 0 "[ . 1]" 1
539 1 50 SER HA 1 63 ASN QB 4.500 . 5.200 3.984 3.011 4.875 . 0 0 "[ . 1]" 1
540 1 50 SER HA 1 51 PHE QD 5.500 . 8.000 4.003 2.973 5.629 . 0 0 "[ . 1]" 1
541 1 50 SER QB 1 108 PRO QG 7.000 . 8.400 2.870 1.956 3.961 . 0 0 "[ . 1]" 1
542 1 50 SER QB 1 108 PRO QD 5.500 . 6.900 4.258 3.645 4.836 . 0 0 "[ . 1]" 1
543 1 51 PHE H 1 51 PHE QD 4.200 . 6.700 3.244 2.622 4.390 . 0 0 "[ . 1]" 1
544 1 50 SER HA 1 51 PHE H 3.200 . 3.200 2.157 2.141 2.190 . 0 0 "[ . 1]" 1
545 1 50 SER QB 1 51 PHE H 4.500 . 5.200 3.244 2.952 3.726 . 0 0 "[ . 1]" 1
546 1 51 PHE H 1 63 ASN HA 5.500 . 5.500 3.343 3.130 3.524 . 0 0 "[ . 1]" 1
547 1 51 PHE H 1 62 TYR H 4.500 . 4.500 4.013 3.715 4.199 . 0 0 "[ . 1]" 1
548 1 51 PHE HA 1 108 PRO QD 4.500 . 4.900 1.997 1.860 2.430 . 0 0 "[ . 1]" 1
549 1 51 PHE HA 1 107 ILE HA 3.200 . 3.200 3.141 2.899 3.212 0.012 8 0 "[ . 1]" 1
550 1 51 PHE HA 1 107 ILE HB . . 4.500 4.356 4.145 4.502 0.002 10 0 "[ . 1]" 1
551 1 51 PHE HA 1 107 ILE MG 3.600 . 4.600 3.203 2.177 3.842 . 0 0 "[ . 1]" 1
552 1 51 PHE QB 1 107 ILE HA 7.000 . 7.700 3.999 3.337 5.046 . 0 0 "[ . 1]" 1
553 1 51 PHE QB 1 107 ILE MG 7.000 . 8.700 3.543 2.472 4.421 . 0 0 "[ . 1]" 1
554 1 51 PHE QB 1 62 TYR QD 7.000 . 10.200 4.811 3.193 6.682 . 0 0 "[ . 1]" 1
555 1 51 PHE QB 1 52 VAL H 3.600 . 4.300 2.554 2.314 3.362 . 0 0 "[ . 1]" 1
556 1 52 VAL H 1 52 VAL HB 4.200 . 4.200 3.040 2.706 3.762 . 0 0 "[ . 1]" 1
557 1 52 VAL H 1 108 PRO QD 7.000 . 7.700 2.307 1.984 2.642 . 0 0 "[ . 1]" 1
558 1 52 VAL H 1 107 ILE HA 5.500 . 5.500 2.445 2.187 2.718 . 0 0 "[ . 1]" 1
559 1 52 VAL H 1 107 ILE MD 7.000 . 8.000 5.765 5.329 6.382 . 0 0 "[ . 1]" 1
560 1 52 VAL H 1 106 ILE H . . 5.500 5.256 4.977 5.497 . 0 0 "[ . 1]" 1
561 1 52 VAL H 1 106 ILE MG 7.000 . 8.000 4.458 3.997 5.968 . 0 0 "[ . 1]" 1
562 1 52 VAL H 1 106 ILE MD 7.000 . 8.000 5.445 4.872 5.932 . 0 0 "[ . 1]" 1
563 1 52 VAL H 1 106 ILE HB 5.500 . 5.500 4.342 4.127 4.760 . 0 0 "[ . 1]" 1
564 1 52 VAL H 1 62 TYR QD 7.000 . 9.500 6.331 5.095 7.353 . 0 0 "[ . 1]" 1
565 1 52 VAL H 1 53 ARG H 7.000 . 7.000 4.352 4.313 4.425 . 0 0 "[ . 1]" 1
566 1 51 PHE HA 1 52 VAL H 3.600 . 3.600 2.386 2.260 2.483 . 0 0 "[ . 1]" 1
567 1 51 PHE QD 1 52 VAL H 5.500 . 8.000 3.482 2.174 4.056 . 0 0 "[ . 1]" 1
568 1 52 VAL HA 1 62 TYR H . . 4.200 2.689 2.339 3.032 . 0 0 "[ . 1]" 1
569 1 52 VAL HA 1 62 TYR QD 4.500 . 7.000 4.649 2.922 6.095 . 0 0 "[ . 1]" 1
570 1 52 VAL HA 1 61 LEU HA 3.600 . 3.600 2.560 2.196 2.923 . 0 0 "[ . 1]" 1
571 1 52 VAL HA 1 61 LEU QB 5.500 . 6.200 4.479 3.561 5.061 . 0 0 "[ . 1]" 1
572 1 52 VAL HA 1 53 ARG H 3.200 . 3.200 2.157 2.142 2.180 . 0 0 "[ . 1]" 1
573 1 51 PHE QD 1 52 VAL HA 7.000 . 9.500 5.106 3.339 5.949 . 0 0 "[ . 1]" 1
574 1 52 VAL QG 1 122 ILE H 7.000 . 9.000 5.026 4.732 5.797 . 0 0 "[ . 1]" 1
575 1 52 VAL QG 1 62 TYR H 5.500 . 6.200 3.315 2.687 4.014 . 0 0 "[ . 1]" 1
576 1 52 VAL QG 1 61 LEU H 7.000 . 9.000 4.074 3.469 4.470 . 0 0 "[ . 1]" 1
577 1 52 VAL QG 1 61 LEU HA 5.500 . 6.500 2.290 1.888 2.660 . 0 0 "[ . 1]" 1
578 1 52 VAL QG 1 60 TRP H 5.500 . 7.500 3.548 3.027 4.869 . 0 0 "[ . 1]" 1
579 1 52 VAL QG 1 54 ILE H 7.000 . 9.000 4.344 3.895 4.924 . 0 0 "[ . 1]" 1
580 1 52 VAL QG 1 53 ARG H 4.200 . 6.200 2.614 2.290 3.486 . 0 0 "[ . 1]" 1
581 1 52 VAL HB 1 53 ARG H 5.500 . 5.500 3.940 3.073 4.271 . 0 0 "[ . 1]" 1
582 1 53 ARG H 1 62 TYR H 5.500 . 5.500 3.948 3.536 4.225 . 0 0 "[ . 1]" 1
583 1 53 ARG H 1 62 TYR QD 5.500 . 8.000 4.333 2.468 6.525 . 0 0 "[ . 1]" 1
584 1 53 ARG H 1 60 TRP H 4.200 . 4.200 4.002 3.681 4.202 0.002 4 0 "[ . 1]" 1
585 1 53 ARG H 1 60 TRP QB 7.000 . 7.700 3.506 3.267 3.741 . 0 0 "[ . 1]" 1
586 1 53 ARG H 1 60 TRP HD1 7.000 . 7.000 6.636 6.288 7.011 0.011 3 0 "[ . 1]" 1
587 1 53 ARG H 1 61 LEU HA 4.500 . 4.500 3.456 3.051 3.881 . 0 0 "[ . 1]" 1
588 1 53 ARG H 1 61 LEU QD 7.000 . 9.000 4.846 4.116 5.854 . 0 0 "[ . 1]" 1
589 1 53 ARG QB 1 62 TYR QD 7.000 . 10.200 4.106 2.481 6.361 . 0 0 "[ . 1]" 1
590 1 53 ARG QB 1 61 LEU HA 7.000 . 7.700 5.479 5.070 6.274 . 0 0 "[ . 1]" 1
591 1 53 ARG QB 1 60 TRP HD1 7.000 . 7.700 6.075 5.631 6.489 . 0 0 "[ . 1]" 1
592 1 53 ARG QB 1 54 ILE H . . 4.900 3.355 2.896 3.785 . 0 0 "[ . 1]" 1
593 1 53 ARG QG 1 62 TYR QD 7.000 . 10.200 5.061 3.555 7.027 . 0 0 "[ . 1]" 1
594 1 53 ARG QG 1 54 ILE H 5.500 . 6.200 3.284 2.525 4.088 . 0 0 "[ . 1]" 1
595 1 54 ILE H 1 54 ILE HB 3.600 . 3.600 3.068 2.572 3.675 0.075 8 0 "[ . 1]" 1
596 1 54 ILE H 1 54 ILE MD 4.200 . 5.200 3.507 2.193 4.424 . 0 0 "[ . 1]" 1
597 1 54 ILE H 1 106 ILE HA 7.000 . 7.000 6.973 6.855 7.020 0.020 7 0 "[ . 1]" 1
598 1 54 ILE H 1 96 TYR QD 7.000 . 9.500 4.524 3.597 5.891 . 0 0 "[ . 1]" 1
599 1 54 ILE H 1 55 GLU H 5.500 . 5.500 4.462 4.406 4.518 . 0 0 "[ . 1]" 1
600 1 54 ILE H 1 55 GLU QG 7.000 . 7.700 5.316 3.875 6.988 . 0 0 "[ . 1]" 1
601 1 53 ARG HA 1 54 ILE H 3.200 . 3.200 2.187 2.152 2.227 . 0 0 "[ . 1]" 1
602 1 54 ILE HA 1 54 ILE MG 3.200 . 4.200 2.440 2.133 3.194 . 0 0 "[ . 1]" 1
603 1 54 ILE HA 1 54 ILE MD 3.600 . 4.600 3.274 1.976 4.160 . 0 0 "[ . 1]" 1
604 1 54 ILE HA 1 96 TYR QD 7.000 . 9.500 5.364 4.835 6.118 . 0 0 "[ . 1]" 1
605 1 54 ILE HA 1 60 TRP H . . 3.600 2.420 2.076 2.732 . 0 0 "[ . 1]" 1
606 1 54 ILE HA 1 60 TRP QB 7.000 . 7.700 3.333 3.034 3.736 . 0 0 "[ . 1]" 1
607 1 54 ILE HA 1 60 TRP HD1 7.000 . 7.000 4.302 4.104 4.504 . 0 0 "[ . 1]" 1
608 1 54 ILE HA 1 59 ALA HA 3.200 . 3.200 2.521 2.237 2.888 . 0 0 "[ . 1]" 1
609 1 54 ILE HA 1 59 ALA MB 4.200 . 5.200 3.917 3.630 4.295 . 0 0 "[ . 1]" 1
610 1 54 ILE HA 1 58 GLU H . . 5.500 5.419 5.140 5.556 0.056 7 0 "[ . 1]" 1
611 1 54 ILE HA 1 55 GLU QG 5.500 . 6.200 4.797 3.404 5.863 . 0 0 "[ . 1]" 1
612 1 54 ILE HB 1 96 TYR HA 5.500 . 5.500 4.473 2.743 5.503 0.003 8 0 "[ . 1]" 1
613 1 54 ILE HB 1 96 TYR QB 7.000 . 7.700 4.018 2.822 5.553 . 0 0 "[ . 1]" 1
614 1 54 ILE HB 1 96 TYR QD 5.500 . 8.000 4.011 2.303 5.729 . 0 0 "[ . 1]" 1
615 1 54 ILE HB 1 96 TYR QE 7.000 . 9.500 5.659 4.067 6.997 . 0 0 "[ . 1]" 1
616 1 54 ILE HB 1 55 GLU H 5.500 . 5.500 3.814 3.249 4.250 . 0 0 "[ . 1]" 1
617 1 54 ILE MD 1 96 TYR QD 7.000 . 10.500 3.766 1.897 5.891 . 0 0 "[ . 1]" 1
618 1 54 ILE MD 1 96 TYR HA 7.000 . 8.000 3.715 1.815 6.566 . 0 0 "[ . 1]" 1
619 1 54 ILE MD 1 92 ILE HA 7.000 . 8.000 3.847 2.192 5.552 . 0 0 "[ . 1]" 1
620 1 54 ILE MD 1 59 ALA HA 5.500 . 6.500 3.621 1.884 5.236 . 0 0 "[ . 1]" 1
621 1 54 ILE MD 1 55 GLU H 5.500 . 6.500 4.254 2.901 5.266 . 0 0 "[ . 1]" 1
622 1 54 ILE MG 1 96 TYR QB 5.500 . 7.200 3.706 1.937 5.071 . 0 0 "[ . 1]" 1
623 1 54 ILE MG 1 96 TYR QD 4.200 . 7.700 4.015 1.823 5.335 . 0 0 "[ . 1]" 1
624 1 54 ILE MG 1 92 ILE HA 5.500 . 6.500 3.894 2.596 5.437 . 0 0 "[ . 1]" 1
625 1 55 GLU H 1 92 ILE MG 7.000 . 8.000 5.027 3.818 6.451 . 0 0 "[ . 1]" 1
626 1 55 GLU H 1 60 TRP H 5.500 . 5.500 3.506 3.058 3.865 . 0 0 "[ . 1]" 1
627 1 55 GLU H 1 60 TRP HD1 4.200 . 4.200 2.968 2.602 3.487 . 0 0 "[ . 1]" 1
628 1 55 GLU H 1 60 TRP HE1 7.000 . 7.000 5.345 4.992 5.786 . 0 0 "[ . 1]" 1
629 1 55 GLU H 1 59 ALA HA 5.500 . 5.500 3.572 3.208 3.898 . 0 0 "[ . 1]" 1
630 1 55 GLU H 1 59 ALA MB 7.000 . 8.000 5.031 4.738 5.308 . 0 0 "[ . 1]" 1
631 1 55 GLU H 1 58 GLU H 4.200 . 4.200 3.953 3.787 4.106 . 0 0 "[ . 1]" 1
632 1 54 ILE HA 1 55 GLU H 3.200 . 3.200 2.144 2.130 2.154 . 0 0 "[ . 1]" 1
633 1 54 ILE QG 1 55 GLU H 7.000 . 7.700 4.075 2.456 4.806 . 0 0 "[ . 1]" 1
634 1 54 ILE MG 1 55 GLU H 4.200 . 5.200 3.393 2.539 4.029 . 0 0 "[ . 1]" 1
635 1 55 GLU QB 1 60 TRP HD1 3.600 . 4.300 2.810 1.926 4.093 . 0 0 "[ . 1]" 1
636 1 55 GLU QB 1 60 TRP HE1 5.500 . 6.200 4.065 3.048 5.513 . 0 0 "[ . 1]" 1
637 1 54 ILE HA 1 55 GLU QB 7.000 . 7.700 4.159 3.978 4.520 . 0 0 "[ . 1]" 1
638 1 55 GLU QG 1 60 TRP HD1 7.000 . 7.700 4.443 2.672 6.151 . 0 0 "[ . 1]" 1
639 1 56 ASN HA 1 57 GLY H 3.600 . 3.600 2.990 2.197 3.533 . 0 0 "[ . 1]" 1
640 1 57 GLY H 1 92 ILE MG 5.500 . 6.500 3.570 1.821 4.905 . 0 0 "[ . 1]" 1
641 1 57 GLY H 1 59 ALA HA 7.000 . 7.000 6.559 6.438 6.684 . 0 0 "[ . 1]" 1
642 1 57 GLY H 1 58 GLU H 3.600 . 3.600 2.369 1.770 3.264 . 0 0 "[ . 1]" 1
643 1 57 GLY H 1 58 GLU HA 5.500 . 5.500 4.471 4.381 4.568 . 0 0 "[ . 1]" 1
644 1 56 ASN QB 1 57 GLY H 7.000 . 7.700 2.681 1.851 3.978 . 0 0 "[ . 1]" 1
645 1 55 GLU H 1 57 GLY H 7.000 . 7.000 4.865 4.617 5.107 . 0 0 "[ . 1]" 1
646 1 54 ILE HA 1 57 GLY H 7.000 . 7.000 6.507 6.337 6.818 . 0 0 "[ . 1]" 1
647 1 57 GLY QA 1 92 ILE MG 5.500 . 7.200 2.815 1.815 3.830 . 0 0 "[ . 1]" 1
648 1 57 GLY QA 1 58 GLU H 4.500 . 5.200 2.732 2.410 2.945 . 0 0 "[ . 1]" 1
649 1 58 GLU H 1 92 ILE MG 5.500 . 6.500 3.691 2.830 4.635 . 0 0 "[ . 1]" 1
650 1 58 GLU H 1 60 TRP HE1 7.000 . 7.000 4.913 4.385 5.546 . 0 0 "[ . 1]" 1
651 1 58 GLU H 1 60 TRP HD1 7.000 . 7.000 4.034 3.532 4.648 . 0 0 "[ . 1]" 1
652 1 58 GLU H 1 59 ALA HA 7.000 . 7.000 4.920 4.892 4.978 . 0 0 "[ . 1]" 1
653 1 56 ASN HA 1 58 GLU H 5.500 . 5.500 4.983 4.804 5.107 . 0 0 "[ . 1]" 1
654 1 56 ASN QB 1 58 GLU H 7.000 . 7.700 4.040 2.967 5.505 . 0 0 "[ . 1]" 1
655 1 54 ILE MG 1 58 GLU H 7.000 . 8.000 5.100 3.795 6.620 . 0 0 "[ . 1]" 1
656 1 58 GLU HA 1 92 ILE MD 5.500 . 6.500 3.566 2.014 5.152 . 0 0 "[ . 1]" 1
657 1 58 GLU HA 1 60 TRP HE1 7.000 . 7.000 6.922 6.789 7.018 0.018 1 0 "[ . 1]" 1
658 1 58 GLU HA 1 59 ALA MB 5.500 . 6.500 4.099 3.987 4.173 . 0 0 "[ . 1]" 1
659 1 58 GLU QB 1 60 TRP HE1 5.500 . 6.200 4.601 3.948 5.553 . 0 0 "[ . 1]" 1
660 1 58 GLU QB 1 60 TRP HD1 7.000 . 7.700 4.309 3.571 5.111 . 0 0 "[ . 1]" 1
661 1 58 GLU QB 1 59 ALA H 5.500 . 6.200 2.400 2.184 2.959 . 0 0 "[ . 1]" 1
662 1 58 GLU QG 1 60 TRP HE1 7.000 . 7.700 5.565 3.226 6.465 . 0 0 "[ . 1]" 1
663 1 58 GLU QG 1 59 ALA H 5.500 . 6.200 3.648 3.093 4.015 . 0 0 "[ . 1]" 1
664 1 59 ALA H 1 59 ALA MB 3.200 . 4.200 2.169 2.069 2.262 . 0 0 "[ . 1]" 1
665 1 59 ALA H 1 87 LEU QD 7.000 . 9.000 2.203 1.860 3.620 . 0 0 "[ . 1]" 1
666 1 59 ALA H 1 60 TRP H 7.000 . 7.000 4.545 4.505 4.589 . 0 0 "[ . 1]" 1
667 1 59 ALA H 1 60 TRP HE1 7.000 . 7.000 6.989 6.902 7.023 0.023 6 0 "[ . 1]" 1
668 1 58 GLU H 1 59 ALA H 7.000 . 7.000 4.424 4.412 4.440 . 0 0 "[ . 1]" 1
669 1 58 GLU HA 1 59 ALA H 3.600 . 3.600 2.459 2.238 2.562 . 0 0 "[ . 1]" 1
670 1 59 ALA HA 1 85 LEU H 7.000 . 7.000 5.528 5.325 5.654 . 0 0 "[ . 1]" 1
671 1 54 ILE QG 1 59 ALA HA 5.500 . 6.200 3.869 2.652 5.063 . 0 0 "[ . 1]" 1
672 1 54 ILE MG 1 59 ALA HA 4.200 . 5.200 2.811 1.839 4.823 . 0 0 "[ . 1]" 1
673 1 59 ALA MB 1 85 LEU H 7.000 . 8.000 4.413 4.270 4.574 . 0 0 "[ . 1]" 1
674 1 60 TRP H 1 60 TRP HD1 5.500 . 5.500 3.819 3.659 4.031 . 0 0 "[ . 1]" 1
675 1 60 TRP H 1 61 LEU H 7.000 . 7.000 4.496 4.441 4.548 . 0 0 "[ . 1]" 1
676 1 59 ALA HA 1 60 TRP H 3.200 . 3.200 2.173 2.141 2.210 . 0 0 "[ . 1]" 1
677 1 59 ALA MB 1 60 TRP H 3.600 . 4.600 3.055 2.863 3.200 . 0 0 "[ . 1]" 1
678 1 54 ILE HB 1 60 TRP H 7.000 . 7.000 4.817 4.050 5.664 . 0 0 "[ . 1]" 1
679 1 54 ILE QG 1 60 TRP H 7.000 . 7.700 4.473 3.389 5.450 . 0 0 "[ . 1]" 1
680 1 52 VAL HA 1 60 TRP H 7.000 . 7.000 5.406 5.091 5.705 . 0 0 "[ . 1]" 1
681 1 60 TRP HA 1 84 LYS HA . . 3.200 3.089 2.972 3.203 0.003 2 0 "[ . 1]" 1
682 1 60 TRP HA 1 84 LYS QG 7.000 . 7.700 5.802 4.042 6.127 . 0 0 "[ . 1]" 1
683 1 60 TRP HA 1 85 LEU H . . 4.200 2.926 2.470 3.299 . 0 0 "[ . 1]" 1
684 1 60 TRP HA 1 83 ARG H 5.500 . 5.500 5.439 5.076 5.516 0.016 9 0 "[ . 1]" 1
685 1 61 LEU H 1 61 LEU QD 4.500 . 6.500 3.632 3.154 3.903 . 0 0 "[ . 1]" 1
686 1 61 LEU H 1 84 LYS HA 4.200 . 4.200 3.649 3.436 3.765 . 0 0 "[ . 1]" 1
687 1 61 LEU H 1 85 LEU H 7.000 . 7.000 4.178 3.802 4.536 . 0 0 "[ . 1]" 1
688 1 61 LEU H 1 85 LEU QB 7.000 . 7.700 5.053 4.668 5.406 . 0 0 "[ . 1]" 1
689 1 61 LEU H 1 85 LEU QD 5.500 . 7.500 2.561 2.102 2.882 . 0 0 "[ . 1]" 1
690 1 61 LEU H 1 83 ARG H 4.200 . 4.200 3.562 3.285 3.703 . 0 0 "[ . 1]" 1
691 1 61 LEU H 1 82 LYS HA 7.000 . 7.000 5.292 4.846 5.606 . 0 0 "[ . 1]" 1
692 1 61 LEU H 1 62 TYR H 7.000 . 7.000 4.363 4.312 4.421 . 0 0 "[ . 1]" 1
693 1 61 LEU H 1 62 TYR QE 7.000 . 9.500 6.589 4.499 8.506 . 0 0 "[ . 1]" 1
694 1 60 TRP HA 1 61 LEU H 3.200 . 3.200 2.242 2.178 2.301 . 0 0 "[ . 1]" 1
695 1 60 TRP QB 1 61 LEU H 5.500 . 6.200 3.002 2.830 3.208 . 0 0 "[ . 1]" 1
696 1 60 TRP HZ3 1 61 LEU H 4.500 . 4.500 4.517 4.508 4.529 0.029 6 0 "[ . 1]" 1
697 1 52 VAL HB 1 61 LEU HA 4.500 . 4.500 4.154 3.508 4.964 0.464 6 0 "[ . 1]" 1
698 1 61 LEU QB 1 120 VAL QG 7.000 . 9.700 3.549 3.287 3.924 . 0 0 "[ . 1]" 1
699 1 61 LEU QB 1 85 LEU QD 5.500 . 8.200 1.931 1.764 2.400 . 0 0 "[ . 1]" 1
700 1 52 VAL HB 1 61 LEU QB 7.000 . 8.400 5.173 4.285 6.414 . 0 0 "[ . 1]" 1
701 1 61 LEU QD 1 108 PRO QD 7.000 . 9.700 4.250 3.229 5.885 . 0 0 "[ . 1]" 1
702 1 61 LEU QD 1 85 LEU HG 5.500 . 9.500 3.815 2.252 4.514 . 0 0 "[ . 1]" 1
703 1 62 TYR H 1 62 TYR QD 3.600 . 6.100 3.681 2.375 4.364 . 0 0 "[ . 1]" 1
704 1 62 TYR H 1 62 TYR QE 7.000 . 9.500 5.651 3.946 6.371 . 0 0 "[ . 1]" 1
705 1 62 TYR H 1 63 ASN H 7.000 . 7.000 4.310 4.291 4.365 . 0 0 "[ . 1]" 1
706 1 61 LEU HA 1 62 TYR H 3.600 . 3.600 2.143 2.129 2.158 . 0 0 "[ . 1]" 1
707 1 61 LEU QB 1 62 TYR H 5.500 . 6.200 3.497 3.047 3.770 . 0 0 "[ . 1]" 1
708 1 61 LEU HG 1 62 TYR H 5.500 . 5.500 3.829 2.812 4.755 . 0 0 "[ . 1]" 1
709 1 61 LEU QD 1 62 TYR H 4.500 . 6.500 2.686 1.954 3.761 . 0 0 "[ . 1]" 1
710 1 52 VAL H 1 62 TYR H 7.000 . 7.000 4.881 4.719 5.250 . 0 0 "[ . 1]" 1
711 1 62 TYR HA 1 62 TYR QD 3.200 . 5.700 2.772 2.242 3.717 . 0 0 "[ . 1]" 1
712 1 62 TYR HA 1 62 TYR QE 5.500 . 8.000 4.574 4.267 5.653 . 0 0 "[ . 1]" 1
713 1 62 TYR HA 1 83 ARG H 5.500 . 5.500 3.792 3.502 4.067 . 0 0 "[ . 1]" 1
714 1 62 TYR HA 1 82 LYS HA 5.500 . 5.500 3.074 2.719 3.555 . 0 0 "[ . 1]" 1
715 1 61 LEU HA 1 62 TYR QB 7.000 . 7.700 4.135 3.966 4.450 . 0 0 "[ . 1]" 1
716 1 52 VAL HA 1 62 TYR QB 7.000 . 7.700 3.934 3.086 5.185 . 0 0 "[ . 1]" 1
717 1 51 PHE H 1 62 TYR QB 7.000 . 7.700 3.624 3.148 4.873 . 0 0 "[ . 1]" 1
718 1 51 PHE QD 1 62 TYR QB 5.500 . 8.700 4.664 3.005 5.684 . 0 0 "[ . 1]" 1
719 1 63 ASN H 1 82 LYS HA 7.000 . 7.000 3.735 2.781 4.323 . 0 0 "[ . 1]" 1
720 1 63 ASN H 1 80 LEU HA 7.000 . 7.000 4.896 4.049 5.824 . 0 0 "[ . 1]" 1
721 1 63 ASN H 1 64 LEU H 4.500 . 4.500 4.363 4.331 4.437 . 0 0 "[ . 1]" 1
722 1 62 TYR HA 1 63 ASN H 4.500 . 4.500 2.160 2.153 2.183 . 0 0 "[ . 1]" 1
723 1 62 TYR QB 1 63 ASN H 5.500 . 6.200 3.471 3.069 3.794 . 0 0 "[ . 1]" 1
724 1 62 TYR QD 1 63 ASN H 5.500 . 8.000 3.378 2.144 4.511 . 0 0 "[ . 1]" 1
725 1 62 TYR HA 1 63 ASN HA 7.000 . 7.000 4.396 4.391 4.404 . 0 0 "[ . 1]" 1
726 1 62 TYR QB 1 63 ASN HA 7.000 . 7.700 4.284 4.121 4.584 . 0 0 "[ . 1]" 1
727 1 50 SER QB 1 63 ASN HA 5.500 . 6.200 2.620 1.882 3.509 . 0 0 "[ . 1]" 1
728 1 62 TYR QD 1 63 ASN QB 7.000 . 10.200 5.396 4.319 6.425 . 0 0 "[ . 1]" 1
729 1 51 PHE H 1 63 ASN QB 5.500 . 6.200 5.031 4.444 5.425 . 0 0 "[ . 1]" 1
730 1 50 SER QB 1 63 ASN QB 5.500 . 6.900 2.924 2.022 4.593 . 0 0 "[ . 1]" 1
731 1 64 LEU H 1 64 LEU QD 4.500 . 6.500 2.911 2.004 4.104 . 0 0 "[ . 1]" 1
732 1 64 LEU H 1 65 TYR H 7.000 . 7.000 2.307 1.910 3.071 . 0 0 "[ . 1]" 1
733 1 63 ASN HA 1 64 LEU H 5.500 . 5.500 2.181 2.138 2.448 . 0 0 "[ . 1]" 1
734 1 63 ASN QB 1 64 LEU H 7.000 . 7.700 3.170 2.380 3.651 . 0 0 "[ . 1]" 1
735 1 62 TYR HA 1 64 LEU H 7.000 . 7.000 6.038 5.933 6.392 . 0 0 "[ . 1]" 1
736 1 50 SER HA 1 64 LEU H 5.500 . 5.500 2.700 2.447 3.588 . 0 0 "[ . 1]" 1
737 1 50 SER QB 1 64 LEU H 7.000 . 7.700 3.401 2.560 4.230 . 0 0 "[ . 1]" 1
738 1 64 LEU HA 1 64 LEU HG 4.500 . 4.500 2.619 2.283 3.215 . 0 0 "[ . 1]" 1
739 1 64 LEU HA 1 64 LEU QD 3.200 . 5.200 2.702 2.079 3.118 . 0 0 "[ . 1]" 1
740 1 50 SER QB 1 64 LEU QB 7.000 . 8.400 5.051 4.438 5.901 . 0 0 "[ . 1]" 1
741 1 64 LEU QD 1 65 TYR QB 7.000 . 9.700 4.711 4.345 5.049 . 0 0 "[ . 1]" 1
742 1 65 TYR H 1 65 TYR QE 7.000 . 9.500 5.816 3.950 6.495 . 0 0 "[ . 1]" 1
743 1 65 TYR H 1 66 ILE H . . 5.500 3.264 1.952 4.211 . 0 0 "[ . 1]" 1
744 1 64 LEU HA 1 65 TYR H 3.600 . 3.600 3.156 2.611 3.482 . 0 0 "[ . 1]" 1
745 1 64 LEU QB 1 65 TYR H 5.500 . 6.200 3.382 2.833 3.967 . 0 0 "[ . 1]" 1
746 1 64 LEU HG 1 65 TYR H 5.500 . 5.500 4.809 4.280 5.336 . 0 0 "[ . 1]" 1
747 1 64 LEU QD 1 65 TYR H 5.500 . 7.500 4.195 3.472 4.620 . 0 0 "[ . 1]" 1
748 1 45 VAL HA 1 65 TYR H 7.000 . 7.000 6.113 4.623 7.007 0.007 9 0 "[ . 1]" 1
749 1 66 ILE H 1 66 ILE HB 4.200 . 4.200 3.036 2.441 3.823 . 0 0 "[ . 1]" 1
750 1 66 ILE H 1 66 ILE MD 5.500 . 6.500 3.476 2.258 4.246 . 0 0 "[ . 1]" 1
751 1 66 ILE H 1 80 LEU HA 5.500 . 5.500 5.222 4.075 5.529 0.029 5 0 "[ . 1]" 1
752 1 66 ILE H 1 79 PRO HA 5.500 . 5.500 4.988 4.246 5.508 0.008 4 0 "[ . 1]" 1
753 1 66 ILE H 1 79 PRO QB 7.000 . 7.700 3.818 3.193 5.615 . 0 0 "[ . 1]" 1
754 1 66 ILE H 1 67 ALA H 7.000 . 7.000 4.434 4.257 4.649 . 0 0 "[ . 1]" 1
755 1 66 ILE H 1 67 ALA HA 7.000 . 7.000 5.199 4.769 5.959 . 0 0 "[ . 1]" 1
756 1 65 TYR HA 1 66 ILE H 5.500 . 5.500 2.542 2.148 3.492 . 0 0 "[ . 1]" 1
757 1 65 TYR QB 1 66 ILE H 5.500 . 6.200 3.868 3.556 4.006 . 0 0 "[ . 1]" 1
758 1 65 TYR QD 1 66 ILE H 5.500 . 8.000 3.811 2.770 4.827 . 0 0 "[ . 1]" 1
759 1 65 TYR QE 1 66 ILE H 5.500 . 8.000 5.373 3.822 6.530 . 0 0 "[ . 1]" 1
760 1 66 ILE HA 1 66 ILE MG 3.200 . 4.200 2.524 2.025 3.201 . 0 0 "[ . 1]" 1
761 1 66 ILE HA 1 66 ILE MD 4.500 . 5.500 3.404 2.062 4.077 . 0 0 "[ . 1]" 1
762 1 65 TYR QD 1 66 ILE HA 7.000 . 9.500 4.492 2.500 5.639 . 0 0 "[ . 1]" 1
763 1 65 TYR QE 1 66 ILE HA 7.000 . 9.500 6.099 3.571 7.441 . 0 0 "[ . 1]" 1
764 1 66 ILE HB 1 66 ILE MD 3.200 . 4.200 2.207 2.000 2.481 . 0 0 "[ . 1]" 1
765 1 66 ILE HB 1 67 ALA H 5.500 . 5.500 3.406 2.008 4.352 . 0 0 "[ . 1]" 1
766 1 66 ILE MG 1 67 ALA H 5.500 . 6.500 3.173 1.980 4.086 . 0 0 "[ . 1]" 1
767 1 66 ILE MD 1 66 ILE MG 3.200 . 5.200 2.832 1.911 3.229 . 0 0 "[ . 1]" 1
768 1 67 ALA H 1 67 ALA MB 3.200 . 4.200 2.383 2.123 2.964 . 0 0 "[ . 1]" 1
769 1 67 ALA H 1 68 PRO QD 5.500 . 6.200 2.988 1.889 4.412 . 0 0 "[ . 1]" 1
770 1 66 ILE HA 1 67 ALA H 3.200 . 3.200 2.325 2.131 2.782 . 0 0 "[ . 1]" 1
771 1 66 ILE QG 1 67 ALA H 5.500 . 6.200 3.548 1.880 4.315 . 0 0 "[ . 1]" 1
772 1 66 ILE MD 1 67 ALA H 5.500 . 6.500 3.864 2.498 5.149 . 0 0 "[ . 1]" 1
773 1 65 TYR QD 1 67 ALA H 5.500 . 8.000 5.572 3.937 7.701 . 0 0 "[ . 1]" 1
774 1 67 ALA HA 1 68 PRO QD 3.200 . 3.900 2.527 1.992 3.526 . 0 0 "[ . 1]" 1
775 1 67 ALA HA 1 68 PRO QG 5.500 . 6.200 4.388 3.897 5.288 . 0 0 "[ . 1]" 1
776 1 67 ALA MB 1 68 PRO QD 3.600 . 5.300 2.783 1.837 3.506 . 0 0 "[ . 1]" 1
777 1 45 VAL HA 1 67 ALA MB 7.000 . 8.000 4.055 2.533 6.196 . 0 0 "[ . 1]" 1
778 1 68 PRO HA 1 69 TYR H . . 3.200 2.575 2.174 3.466 0.266 7 0 "[ . 1]" 1
779 1 68 PRO HA 1 69 TYR QB 7.000 . 7.700 4.253 3.847 4.518 . 0 0 "[ . 1]" 1
780 1 68 PRO HA 1 69 TYR QD 7.000 . 9.500 4.709 3.535 6.163 . 0 0 "[ . 1]" 1
781 1 68 PRO QB 1 69 TYR H 5.500 . 6.200 2.673 1.975 4.004 . 0 0 "[ . 1]" 1
782 1 68 PRO QB 1 69 TYR QD 7.000 . 10.200 4.708 2.690 6.018 . 0 0 "[ . 1]" 1
783 1 68 PRO QG 1 69 TYR H 7.000 . 7.700 4.153 3.478 4.589 . 0 0 "[ . 1]" 1
784 1 69 TYR H 1 69 TYR QD 4.200 . 6.700 3.428 2.360 4.402 . 0 0 "[ . 1]" 1
785 1 38 SER HA 1 69 TYR H 7.000 . 7.000 6.792 6.388 7.015 0.015 7 0 "[ . 1]" 1
786 1 69 TYR QB 1 70 LYS H 7.000 . 7.700 3.104 2.049 4.014 . 0 0 "[ . 1]" 1
787 1 70 LYS H 1 70 LYS QE 7.000 . 7.700 5.063 3.903 6.175 . 0 0 "[ . 1]" 1
788 1 69 TYR HA 1 70 LYS H 5.500 . 5.500 2.628 2.156 3.560 . 0 0 "[ . 1]" 1
789 1 69 TYR QD 1 70 LYS H 5.500 . 8.000 3.392 2.854 4.339 . 0 0 "[ . 1]" 1
790 1 69 TYR QE 1 70 LYS H 7.000 . 9.500 5.059 4.035 5.957 . 0 0 "[ . 1]" 1
791 1 70 LYS HA 1 71 HIS H 5.500 . 5.500 2.795 2.189 3.567 . 0 0 "[ . 1]" 1
792 1 69 TYR QD 1 70 LYS HA 7.000 . 9.500 4.233 3.272 5.631 . 0 0 "[ . 1]" 1
793 1 70 LYS QB 1 71 HIS H 7.000 . 7.700 3.065 1.912 4.027 . 0 0 "[ . 1]" 1
794 1 71 HIS HA 1 72 ALA H 5.500 . 5.500 2.630 2.179 3.556 . 0 0 "[ . 1]" 1
795 1 71 HIS QB 1 72 ALA H 7.000 . 7.700 3.261 1.980 3.808 . 0 0 "[ . 1]" 1
796 1 72 ALA HA 1 73 THR H 7.000 . 7.000 2.774 2.166 3.572 . 0 0 "[ . 1]" 1
797 1 72 ALA HA 1 73 THR MG 7.000 . 8.000 4.969 3.546 6.038 . 0 0 "[ . 1]" 1
798 1 73 THR HA 1 73 THR MG 3.200 . 4.200 2.532 2.114 3.222 . 0 0 "[ . 1]" 1
799 1 72 ALA MB 1 73 THR HA 5.500 . 6.500 4.077 3.842 4.571 . 0 0 "[ . 1]" 1
800 1 74 ILE HA 1 74 ILE MG 3.200 . 4.200 2.361 2.084 3.200 . 0 0 "[ . 1]" 1
801 1 74 ILE HA 1 75 GLU H 5.500 . 5.500 2.745 2.144 3.571 . 0 0 "[ . 1]" 1
802 1 74 ILE HB 1 74 ILE MD 3.200 . 4.200 2.246 2.085 2.468 . 0 0 "[ . 1]" 1
803 1 74 ILE HB 1 75 GLU H 5.500 . 5.500 3.641 1.891 4.440 . 0 0 "[ . 1]" 1
804 1 75 GLU HA 1 75 GLU QG 3.600 . 4.300 2.420 2.010 3.340 . 0 0 "[ . 1]" 1
805 1 77 HIS H 1 78 ASP H 7.000 . 7.000 3.724 1.973 4.555 . 0 0 "[ . 1]" 1
806 1 79 PRO HA 1 80 LEU H 7.000 . 7.000 3.216 2.305 3.572 . 0 0 "[ . 1]" 1
807 1 66 ILE HB 1 79 PRO HA 5.500 . 5.500 4.510 3.024 5.446 . 0 0 "[ . 1]" 1
808 1 79 PRO QB 1 79 PRO QD 3.200 . 4.600 2.776 2.746 2.822 . 0 0 "[ . 1]" 1
809 1 79 PRO QB 1 80 LEU H 5.500 . 6.200 3.075 1.837 4.015 . 0 0 "[ . 1]" 1
810 1 79 PRO QD 1 80 LEU H 5.500 . 6.200 3.197 2.431 4.615 . 0 0 "[ . 1]" 1
811 1 80 LEU H 1 81 ARG H 5.500 . 5.500 3.553 2.083 4.644 . 0 0 "[ . 1]" 1
812 1 80 LEU HA 1 81 ARG H 5.500 . 5.500 2.751 2.142 3.564 . 0 0 "[ . 1]" 1
813 1 80 LEU HA 1 80 LEU HG 3.600 . 3.600 2.888 2.139 3.622 0.022 7 0 "[ . 1]" 1
814 1 80 LEU HA 1 80 LEU QD 3.200 . 5.200 2.984 2.019 3.445 . 0 0 "[ . 1]" 1
815 1 63 ASN HA 1 80 LEU HA 7.000 . 7.000 5.946 5.417 6.991 . 0 0 "[ . 1]" 1
816 1 65 TYR QD 1 80 LEU QD 5.500 . 10.000 6.291 3.345 9.103 . 0 0 "[ . 1]" 1
817 1 81 ARG H 1 81 ARG QB 3.600 . 4.300 2.925 2.382 3.363 . 0 0 "[ . 1]" 1
818 1 81 ARG H 1 82 LYS H 5.500 . 5.500 4.101 2.844 4.602 . 0 0 "[ . 1]" 1
819 1 80 LEU QD 1 81 ARG H 7.000 . 9.000 3.672 1.951 4.401 . 0 0 "[ . 1]" 1
820 1 79 PRO HA 1 81 ARG H 7.000 . 7.000 5.449 4.179 6.456 . 0 0 "[ . 1]" 1
821 1 81 ARG HA 1 82 LYS QB 5.500 . 6.200 4.230 3.745 4.723 . 0 0 "[ . 1]" 1
822 1 81 ARG QB 1 82 LYS H . . 6.200 2.736 1.958 3.947 . 0 0 "[ . 1]" 1
823 1 82 LYS H 1 82 LYS QD 5.500 . 6.200 4.026 1.981 5.338 . 0 0 "[ . 1]" 1
824 1 81 ARG HA 1 82 LYS H 3.200 . 3.200 2.488 2.141 2.762 . 0 0 "[ . 1]" 1
825 1 62 TYR QD 1 82 LYS HA 5.500 . 8.000 4.048 2.401 5.516 . 0 0 "[ . 1]" 1
826 1 62 TYR QE 1 82 LYS HA 7.000 . 9.500 5.056 4.249 7.640 . 0 0 "[ . 1]" 1
827 1 62 TYR QD 1 82 LYS QB 5.500 . 8.700 4.014 2.452 6.001 . 0 0 "[ . 1]" 1
828 1 62 TYR QE 1 82 LYS QB 7.000 . 10.200 4.131 2.459 7.836 . 0 0 "[ . 1]" 1
829 1 82 LYS QG 1 83 ARG H 5.500 . 6.200 3.577 2.624 4.625 . 0 0 "[ . 1]" 1
830 1 62 TYR QD 1 82 LYS QD 5.500 . 8.700 3.980 2.346 5.502 . 0 0 "[ . 1]" 1
831 1 62 TYR QE 1 82 LYS QD 7.000 . 10.200 3.777 1.951 6.578 . 0 0 "[ . 1]" 1
832 1 83 ARG H 1 83 ARG QG 4.200 . 4.900 3.608 2.728 4.283 . 0 0 "[ . 1]" 1
833 1 83 ARG H 1 84 LYS H 7.000 . 7.000 4.420 4.337 4.488 . 0 0 "[ . 1]" 1
834 1 82 LYS HA 1 83 ARG H 3.200 . 3.200 2.221 2.138 2.441 . 0 0 "[ . 1]" 1
835 1 82 LYS QB 1 83 ARG H 4.500 . 5.200 3.149 2.326 3.652 . 0 0 "[ . 1]" 1
836 1 63 ASN H 1 83 ARG H 7.000 . 7.000 4.924 4.615 5.210 . 0 0 "[ . 1]" 1
837 1 60 TRP HE3 1 83 ARG H 7.000 . 7.000 3.279 2.967 3.519 . 0 0 "[ . 1]" 1
838 1 83 ARG HA 1 84 LYS QB 5.500 . 6.200 4.326 4.026 4.753 . 0 0 "[ . 1]" 1
839 1 61 LEU H 1 83 ARG HA 7.000 . 7.000 5.248 5.062 5.405 . 0 0 "[ . 1]" 1
840 1 60 TRP HH2 1 83 ARG HA 7.000 . 7.000 4.672 4.566 4.941 . 0 0 "[ . 1]" 1
841 1 60 TRP HZ2 1 83 ARG HA 7.000 . 7.000 6.553 6.361 6.737 . 0 0 "[ . 1]" 1
842 1 60 TRP HZ3 1 83 ARG HA 5.500 . 5.500 3.510 3.186 3.811 . 0 0 "[ . 1]" 1
843 1 83 ARG QB 1 84 LYS H 7.000 . 7.700 3.098 2.571 3.564 . 0 0 "[ . 1]" 1
844 1 83 ARG QD 1 84 LYS H 7.000 . 7.700 4.655 3.137 5.526 . 0 0 "[ . 1]" 1
845 1 84 LYS H 1 85 LEU H 7.000 . 7.000 4.435 4.398 4.543 . 0 0 "[ . 1]" 1
846 1 83 ARG HA 1 84 LYS H 3.200 . 3.200 2.229 2.149 2.334 . 0 0 "[ . 1]" 1
847 1 60 TRP HH2 1 84 LYS H 7.000 . 7.000 4.345 3.925 4.672 . 0 0 "[ . 1]" 1
848 1 60 TRP HE3 1 84 LYS H 5.500 . 5.500 5.035 4.600 5.337 . 0 0 "[ . 1]" 1
849 1 60 TRP HZ3 1 84 LYS H 5.500 . 5.500 4.039 3.378 4.410 . 0 0 "[ . 1]" 1
850 1 60 TRP HZ3 1 84 LYS HA 4.200 . 4.200 3.957 3.824 4.169 . 0 0 "[ . 1]" 1
851 1 84 LYS QB 1 85 LEU H 5.500 . 6.200 3.220 2.947 3.769 . 0 0 "[ . 1]" 1
852 1 60 TRP HH2 1 84 LYS QB 7.000 . 7.700 2.721 2.548 3.274 . 0 0 "[ . 1]" 1
853 1 60 TRP HE3 1 84 LYS QB 7.000 . 7.700 4.431 4.341 4.600 . 0 0 "[ . 1]" 1
854 1 60 TRP HZ3 1 84 LYS QB 7.000 . 7.700 3.709 3.497 4.188 . 0 0 "[ . 1]" 1
855 1 84 LYS QG 1 85 LEU H 5.500 . 6.200 4.125 2.851 4.748 . 0 0 "[ . 1]" 1
856 1 60 TRP HZ3 1 84 LYS QG 7.000 . 7.700 4.760 2.890 5.326 . 0 0 "[ . 1]" 1
857 1 60 TRP HZ2 1 84 LYS QG 7.000 . 7.700 4.153 2.752 4.671 . 0 0 "[ . 1]" 1
858 1 84 LYS QD 1 85 LEU H 7.000 . 7.700 4.902 3.680 5.656 . 0 0 "[ . 1]" 1
859 1 60 TRP HE1 1 84 LYS QD 7.000 . 7.700 5.360 2.982 6.390 . 0 0 "[ . 1]" 1
860 1 60 TRP HZ2 1 84 LYS QD 7.000 . 7.700 3.895 1.978 5.264 . 0 0 "[ . 1]" 1
861 1 60 TRP HZ2 1 84 LYS QE 7.000 . 7.700 4.559 3.071 5.541 . 0 0 "[ . 1]" 1
862 1 60 TRP HH2 1 84 LYS QE 7.000 . 7.700 4.673 3.488 5.503 . 0 0 "[ . 1]" 1
863 1 85 LEU H 1 85 LEU HG 4.200 . 4.200 2.855 1.984 3.960 . 0 0 "[ . 1]" 1
864 1 85 LEU H 1 85 LEU QD 4.500 . 6.500 2.505 1.974 2.876 . 0 0 "[ . 1]" 1
865 1 85 LEU H 1 86 LEU H 7.000 . 7.000 4.420 4.297 4.520 . 0 0 "[ . 1]" 1
866 1 84 LYS HA 1 85 LEU H 3.200 . 3.200 2.155 2.139 2.188 . 0 0 "[ . 1]" 1
867 1 84 LYS QE 1 85 LEU H 7.000 . 7.700 5.851 4.930 6.536 . 0 0 "[ . 1]" 1
868 1 60 TRP HE3 1 85 LEU H 7.000 . 7.000 5.087 4.884 5.323 . 0 0 "[ . 1]" 1
869 1 60 TRP HZ3 1 85 LEU H 7.000 . 7.000 6.024 5.880 6.241 . 0 0 "[ . 1]" 1
870 1 29 ILE H 1 85 LEU H 7.000 . 7.000 7.022 7.004 7.049 0.049 1 0 "[ . 1]" 1
871 1 85 LEU HA 1 86 LEU H . . 4.200 2.249 2.142 2.534 . 0 0 "[ . 1]" 1
872 1 85 LEU QB 1 86 LEU H 5.500 . 6.200 2.892 2.252 3.246 . 0 0 "[ . 1]" 1
873 1 85 LEU QD 1 86 LEU H 7.000 . 9.000 4.087 3.636 4.381 . 0 0 "[ . 1]" 1
874 1 86 LEU H 1 86 LEU HG 5.500 . 5.500 3.647 2.134 4.531 . 0 0 "[ . 1]" 1
875 1 86 LEU HA 1 86 LEU HG 4.500 . 4.500 2.575 2.153 2.985 . 0 0 "[ . 1]" 1
876 1 86 LEU HA 1 87 LEU H 3.200 . 3.200 2.421 2.267 2.606 . 0 0 "[ . 1]" 1
877 1 28 GLY H 1 86 LEU QB 5.500 . 6.200 3.409 3.099 3.988 . 0 0 "[ . 1]" 1
878 1 86 LEU QD 1 87 LEU H 5.500 . 7.500 2.854 1.913 3.586 . 0 0 "[ . 1]" 1
879 1 87 LEU H 1 87 LEU HG 5.500 . 5.500 5.086 4.532 5.323 . 0 0 "[ . 1]" 1
880 1 87 LEU H 1 88 HIS H 7.000 . 7.000 4.228 3.865 4.356 . 0 0 "[ . 1]" 1
881 1 86 LEU QB 1 87 LEU H 5.500 . 6.200 2.710 1.964 3.436 . 0 0 "[ . 1]" 1
882 1 86 LEU HG 1 87 LEU H 5.500 . 5.500 3.171 1.970 4.736 . 0 0 "[ . 1]" 1
883 1 87 LEU QB 1 92 ILE H 7.000 . 7.700 4.411 3.861 5.021 . 0 0 "[ . 1]" 1
884 1 87 LEU QB 1 91 GLU QB 7.000 . 8.400 4.596 4.105 5.373 . 0 0 "[ . 1]" 1
885 1 87 LEU QB 1 88 HIS H . . 4.900 2.262 1.733 3.406 . 0 0 "[ . 1]" 1
886 1 87 LEU HG 1 92 ILE HA 4.200 . 4.200 4.233 4.209 4.334 0.134 7 0 "[ . 1]" 1
887 1 87 LEU QD 1 92 ILE H 7.000 . 9.000 3.509 2.196 4.219 . 0 0 "[ . 1]" 1
888 1 87 LEU QD 1 92 ILE HA 5.500 . 7.500 3.660 1.813 4.511 . 0 0 "[ . 1]" 1
889 1 87 LEU QD 1 91 GLU QB 5.500 . 8.200 2.777 2.290 3.664 . 0 0 "[ . 1]" 1
890 1 87 LEU QD 1 88 HIS H 7.000 . 7.500 1.931 1.837 2.442 . 0 0 "[ . 1]" 1
891 1 88 HIS H 1 88 HIS HD2 5.500 . 6.200 4.798 3.899 5.580 . 0 0 "[ . 1]" 1
892 1 88 HIS H 1 91 GLU H 5.500 . 5.500 5.051 4.278 5.494 . 0 0 "[ . 1]" 1
893 1 88 HIS H 1 91 GLU HA 7.000 . 7.000 6.528 5.542 7.008 0.008 5 0 "[ . 1]" 1
894 1 88 HIS H 1 91 GLU QB 5.500 . 6.200 3.547 2.586 4.082 . 0 0 "[ . 1]" 1
895 1 88 HIS H 1 91 GLU QG 7.000 . 7.700 4.711 3.720 5.352 . 0 0 "[ . 1]" 1
896 1 87 LEU HA 1 88 HIS H 5.500 . 5.500 2.796 2.252 3.248 . 0 0 "[ . 1]" 1
897 1 87 LEU HG 1 88 HIS H 4.500 . 4.500 3.019 1.969 4.186 . 0 0 "[ . 1]" 1
898 1 88 HIS QB 1 91 GLU H 7.000 . 7.700 2.820 2.024 3.381 . 0 0 "[ . 1]" 1
899 1 88 HIS QB 1 91 GLU QB 7.000 . 8.400 2.540 1.941 3.280 . 0 0 "[ . 1]" 1
900 1 90 ARG HA 1 93 MET H 5.500 . 5.500 3.846 3.629 4.214 . 0 0 "[ . 1]" 1
901 1 90 ARG HA 1 93 MET QB 4.200 . 4.900 3.083 2.579 3.466 . 0 0 "[ . 1]" 1
902 1 90 ARG HA 1 93 MET QG 5.500 . 6.200 4.623 4.118 5.250 . 0 0 "[ . 1]" 1
903 1 90 ARG HA 1 91 GLU H 4.500 . 4.500 3.552 3.527 3.562 . 0 0 "[ . 1]" 1
904 1 90 ARG QB 1 91 GLU H 4.200 . 4.900 2.412 2.331 2.559 . 0 0 "[ . 1]" 1
905 1 91 GLU H 1 94 ARG H 5.500 . 5.500 5.086 4.875 5.339 . 0 0 "[ . 1]" 1
906 1 91 GLU H 1 93 MET H 5.500 . 5.500 4.546 4.407 4.900 . 0 0 "[ . 1]" 1
907 1 91 GLU H 1 92 ILE H . . 3.200 2.946 2.825 3.055 . 0 0 "[ . 1]" 1
908 1 90 ARG H 1 91 GLU H 7.000 . 7.000 2.680 2.534 2.899 . 0 0 "[ . 1]" 1
909 1 88 HIS HA 1 91 GLU H 7.000 . 7.000 5.559 4.617 6.185 . 0 0 "[ . 1]" 1
910 1 91 GLU HA 1 95 LEU H 7.000 . 7.000 3.949 3.713 4.233 . 0 0 "[ . 1]" 1
911 1 91 GLU HA 1 94 ARG H 5.500 . 5.500 3.847 3.621 4.137 . 0 0 "[ . 1]" 1
912 1 91 GLU HA 1 94 ARG QB 5.500 . 6.200 3.015 2.626 3.426 . 0 0 "[ . 1]" 1
913 1 25 TYR QD 1 91 GLU HA 7.000 . 9.500 6.186 4.727 7.533 . 0 0 "[ . 1]" 1
914 1 25 TYR QE 1 91 GLU HA 7.000 . 9.500 4.777 2.588 8.995 . 0 0 "[ . 1]" 1
915 1 91 GLU QB 1 92 ILE H 5.500 . 6.200 2.367 2.170 2.481 . 0 0 "[ . 1]" 1
916 1 88 HIS HA 1 91 GLU QB 7.000 . 7.700 5.145 4.177 5.918 . 0 0 "[ . 1]" 1
917 1 92 ILE H 1 92 ILE HB 3.600 . 3.600 2.925 2.282 3.621 0.021 1 0 "[ . 1]" 1
918 1 92 ILE H 1 92 ILE QG 3.600 . 4.300 2.619 1.666 4.038 . 0 0 "[ . 1]" 1
919 1 92 ILE H 1 92 ILE MD 5.500 . 6.500 3.601 1.900 4.313 . 0 0 "[ . 1]" 1
920 1 92 ILE H 1 93 MET H 3.600 . 3.600 2.951 2.858 3.109 . 0 0 "[ . 1]" 1
921 1 91 GLU HA 1 92 ILE H 5.500 . 5.500 3.570 3.556 3.581 . 0 0 "[ . 1]" 1
922 1 92 ILE HA 1 92 ILE MG 3.200 . 4.200 2.543 1.909 3.210 . 0 0 "[ . 1]" 1
923 1 92 ILE HA 1 92 ILE MD 3.600 . 4.600 3.208 2.214 4.136 . 0 0 "[ . 1]" 1
924 1 92 ILE HA 1 96 TYR H 7.000 . 7.000 3.955 3.679 4.507 . 0 0 "[ . 1]" 1
925 1 92 ILE HA 1 95 LEU H 4.200 . 4.200 3.872 3.495 4.221 0.021 8 0 "[ . 1]" 1
926 1 92 ILE HA 1 95 LEU QB . . 5.200 2.854 2.377 3.704 . 0 0 "[ . 1]" 1
927 1 92 ILE HA 1 95 LEU HG 5.500 . 5.500 4.532 2.933 5.490 . 0 0 "[ . 1]" 1
928 1 92 ILE HA 1 95 LEU QD 4.200 . 6.200 2.919 1.905 4.077 . 0 0 "[ . 1]" 1
929 1 92 ILE HA 1 94 ARG H 7.000 . 7.000 4.843 4.605 5.194 . 0 0 "[ . 1]" 1
930 1 92 ILE HA 1 93 MET H . . 4.500 3.564 3.549 3.579 . 0 0 "[ . 1]" 1
931 1 92 ILE HB 1 92 ILE MD 3.200 . 4.200 2.416 1.988 3.220 . 0 0 "[ . 1]" 1
932 1 92 ILE HB 1 93 MET QG 7.000 . 7.700 5.291 3.241 7.046 . 0 0 "[ . 1]" 1
933 1 92 ILE HB 1 94 ARG H 7.000 . 7.000 5.620 4.949 6.046 . 0 0 "[ . 1]" 1
934 1 89 LYS HA 1 92 ILE HB 5.500 . 5.500 4.241 3.325 5.214 . 0 0 "[ . 1]" 1
935 1 56 ASN H 1 92 ILE HB 7.000 . 7.000 6.964 6.497 7.048 0.048 8 0 "[ . 1]" 1
936 1 55 GLU H 1 92 ILE HB 7.000 . 7.000 6.357 5.784 6.901 . 0 0 "[ . 1]" 1
937 1 92 ILE QG 1 93 MET H 7.000 . 7.700 3.195 1.966 4.345 . 0 0 "[ . 1]" 1
938 1 92 ILE QG 1 94 ARG H 7.000 . 7.700 5.379 4.387 6.376 . 0 0 "[ . 1]" 1
939 1 92 ILE MD 1 94 ARG H 7.000 . 8.000 5.491 4.212 6.561 . 0 0 "[ . 1]" 1
940 1 93 MET H 1 93 MET QB 3.200 . 3.900 2.180 2.049 2.388 . 0 0 "[ . 1]" 1
941 1 93 MET H 1 93 MET QG 3.600 . 4.300 3.367 2.386 3.992 . 0 0 "[ . 1]" 1
942 1 93 MET H 1 96 TYR H 7.000 . 7.000 4.957 4.828 5.088 . 0 0 "[ . 1]" 1
943 1 93 MET H 1 96 TYR QB 7.000 . 7.700 4.945 4.529 5.177 . 0 0 "[ . 1]" 1
944 1 93 MET H 1 94 ARG H 3.200 . 3.200 2.957 2.778 3.094 . 0 0 "[ . 1]" 1
945 1 92 ILE HB 1 93 MET H 3.600 . 3.600 3.082 2.303 3.719 0.119 8 0 "[ . 1]" 1
946 1 92 ILE MG 1 93 MET H 4.500 . 5.500 3.088 1.756 3.952 . 0 0 "[ . 1]" 1
947 1 93 MET HA 1 97 GLY H . . 5.500 4.171 3.879 4.443 . 0 0 "[ . 1]" 1
948 1 93 MET HA 1 96 TYR H . . 4.200 3.956 3.611 4.205 0.005 8 0 "[ . 1]" 1
949 1 93 MET HA 1 96 TYR QB 4.200 . 4.900 3.116 2.885 3.375 . 0 0 "[ . 1]" 1
950 1 93 MET HA 1 96 TYR QD 5.500 . 8.000 4.577 3.547 5.060 . 0 0 "[ . 1]" 1
951 1 93 MET HA 1 96 TYR QE 7.000 . 9.500 6.533 5.752 6.972 . 0 0 "[ . 1]" 1
952 1 92 ILE MG 1 93 MET HA 5.500 . 6.500 4.013 2.832 5.381 . 0 0 "[ . 1]" 1
953 1 93 MET QB 1 96 TYR H 7.000 . 7.700 5.254 4.982 5.443 . 0 0 "[ . 1]" 1
954 1 92 ILE MG 1 93 MET QB 7.000 . 8.700 4.368 2.896 5.333 . 0 0 "[ . 1]" 1
955 1 93 MET QG 1 94 ARG H 7.000 . 7.700 3.995 3.544 4.304 . 0 0 "[ . 1]" 1
956 1 92 ILE MG 1 93 MET QG 7.000 . 8.700 4.656 2.272 6.525 . 0 0 "[ . 1]" 1
957 1 94 ARG H 1 94 ARG QB 3.600 . 4.300 2.152 2.046 2.449 . 0 0 "[ . 1]" 1
958 1 94 ARG H 1 96 TYR H 7.000 . 7.000 4.563 4.384 4.756 . 0 0 "[ . 1]" 1
959 1 94 ARG H 1 95 LEU H 3.200 . 3.200 2.909 2.764 3.092 . 0 0 "[ . 1]" 1
960 1 94 ARG H 1 95 LEU QD 7.000 . 9.000 5.204 4.833 5.570 . 0 0 "[ . 1]" 1
961 1 93 MET HA 1 94 ARG H 5.500 . 5.500 3.564 3.555 3.572 . 0 0 "[ . 1]" 1
962 1 93 MET QB 1 94 ARG H 3.600 . 4.300 2.295 1.988 2.486 . 0 0 "[ . 1]" 1
963 1 94 ARG HA 1 98 LYS H 5.500 . 5.500 3.853 3.471 4.448 . 0 0 "[ . 1]" 1
964 1 94 ARG HA 1 97 GLY H 5.500 . 5.500 3.991 3.798 4.271 . 0 0 "[ . 1]" 1
965 1 94 ARG HA 1 95 LEU H 5.500 . 5.500 3.560 3.549 3.574 . 0 0 "[ . 1]" 1
966 1 95 LEU H 1 95 LEU QB 3.600 . 4.300 2.187 2.016 2.489 . 0 0 "[ . 1]" 1
967 1 95 LEU H 1 95 LEU HG 3.600 . 3.600 2.969 2.136 3.626 0.026 10 0 "[ . 1]" 1
968 1 95 LEU H 1 95 LEU QD 4.500 . 6.500 3.324 3.029 3.625 . 0 0 "[ . 1]" 1
969 1 95 LEU H 1 96 TYR H . . 3.600 2.978 2.865 3.100 . 0 0 "[ . 1]" 1
970 1 94 ARG QB 1 95 LEU H 3.600 . 4.300 2.382 2.031 2.548 . 0 0 "[ . 1]" 1
971 1 95 LEU HA 1 95 LEU HG 4.500 . 4.500 2.732 2.194 3.738 . 0 0 "[ . 1]" 1
972 1 95 LEU HA 1 99 VAL H 7.000 . 7.000 3.419 3.206 3.731 . 0 0 "[ . 1]" 1
973 1 95 LEU HA 1 98 LYS H 5.500 . 5.500 4.353 3.826 4.816 . 0 0 "[ . 1]" 1
974 1 95 LEU HA 1 98 LYS QB 4.500 . 5.200 3.576 3.096 3.836 . 0 0 "[ . 1]" 1
975 1 95 LEU HA 1 98 LYS QG 7.000 . 7.700 5.468 4.820 5.949 . 0 0 "[ . 1]" 1
976 1 95 LEU QD 1 96 TYR H 5.500 . 7.500 3.719 2.616 4.006 . 0 0 "[ . 1]" 1
977 1 25 TYR QD 1 95 LEU QD 5.500 . 10.000 2.501 1.895 2.962 . 0 0 "[ . 1]" 1
978 1 25 TYR QE 1 95 LEU QD 5.500 . 10.000 2.600 1.917 3.783 . 0 0 "[ . 1]" 1
979 1 23 GLU QB 1 95 LEU QD 7.000 . 9.700 3.898 2.328 5.159 . 0 0 "[ . 1]" 1
980 1 96 TYR H 1 96 TYR QB 3.600 . 4.300 2.217 2.100 2.251 . 0 0 "[ . 1]" 1
981 1 96 TYR H 1 96 TYR QD 4.200 . 6.700 4.125 3.833 4.196 . 0 0 "[ . 1]" 1
982 1 96 TYR H 1 97 GLY H 3.600 . 3.600 3.015 2.856 3.182 . 0 0 "[ . 1]" 1
983 1 95 LEU HA 1 96 TYR H 4.500 . 4.500 3.566 3.556 3.572 . 0 0 "[ . 1]" 1
984 1 95 LEU QB 1 96 TYR H 3.600 . 4.300 2.449 2.188 3.304 . 0 0 "[ . 1]" 1
985 1 95 LEU HG 1 96 TYR H 5.500 . 5.500 4.396 1.790 4.847 . 0 0 "[ . 1]" 1
986 1 96 TYR HA 1 96 TYR QD 3.200 . 5.700 2.666 2.006 3.151 . 0 0 "[ . 1]" 1
987 1 96 TYR HA 1 96 TYR QE 5.500 . 8.000 4.542 4.341 4.703 . 0 0 "[ . 1]" 1
988 1 96 TYR HA 1 99 VAL H 5.500 . 5.500 4.677 4.146 5.024 . 0 0 "[ . 1]" 1
989 1 96 TYR HA 1 99 VAL HB 4.500 . 4.500 3.677 3.203 4.271 . 0 0 "[ . 1]" 1
990 1 96 TYR HA 1 99 VAL QG 3.600 . 5.600 3.776 2.043 4.286 . 0 0 "[ . 1]" 1
991 1 96 TYR HA 1 97 GLY H 4.500 . 4.500 3.567 3.563 3.573 . 0 0 "[ . 1]" 1
992 1 97 GLY H 1 98 LYS H 3.600 . 3.600 3.097 2.944 3.234 . 0 0 "[ . 1]" 1
993 1 96 TYR QB 1 97 GLY H 4.200 . 4.900 2.215 1.922 2.410 . 0 0 "[ . 1]" 1
994 1 96 TYR QD 1 97 GLY H 5.500 . 8.000 3.386 2.652 3.985 . 0 0 "[ . 1]" 1
995 1 97 GLY QA 1 100 GLN QB 7.000 . 8.400 3.763 3.364 4.012 . 0 0 "[ . 1]" 1
996 1 98 LYS H 1 99 VAL H 3.600 . 3.600 3.047 2.815 3.189 . 0 0 "[ . 1]" 1
997 1 97 GLY QA 1 98 LYS H 4.200 . 4.900 2.477 2.421 2.635 . 0 0 "[ . 1]" 1
998 1 98 LYS HA 1 103 GLY H 5.500 . 5.500 5.517 5.420 5.553 0.053 4 0 "[ . 1]" 1
999 1 99 VAL H 1 99 VAL HB 3.200 . 3.200 2.638 2.389 2.737 . 0 0 "[ . 1]" 1
1000 1 99 VAL H 1 99 VAL QG 3.600 . 5.600 1.998 1.835 2.288 . 0 0 "[ . 1]" 1
1001 1 99 VAL H 1 104 TYR QB 7.000 . 7.700 4.460 4.350 4.612 . 0 0 "[ . 1]" 1
1002 1 99 VAL H 1 102 LYS H 7.000 . 7.000 5.035 4.987 5.088 . 0 0 "[ . 1]" 1
1003 1 99 VAL H 1 100 GLN H 3.600 . 3.600 3.131 2.958 3.244 . 0 0 "[ . 1]" 1
1004 1 98 LYS HA 1 99 VAL H 5.500 . 5.500 3.569 3.564 3.574 . 0 0 "[ . 1]" 1
1005 1 98 LYS QB 1 99 VAL H 5.500 . 6.200 2.224 2.039 2.425 . 0 0 "[ . 1]" 1
1006 1 98 LYS QG 1 99 VAL H 5.500 . 6.200 4.066 3.693 4.273 . 0 0 "[ . 1]" 1
1007 1 99 VAL HA 1 105 THR H 5.500 . 5.500 5.485 5.393 5.533 0.033 9 0 "[ . 1]" 1
1008 1 99 VAL HA 1 104 TYR H 5.500 . 5.500 3.915 3.729 4.242 . 0 0 "[ . 1]" 1
1009 1 99 VAL HA 1 104 TYR HA 7.000 . 7.000 4.938 4.816 5.097 . 0 0 "[ . 1]" 1
1010 1 99 VAL HA 1 104 TYR QB 4.200 . 4.900 1.981 1.851 2.195 . 0 0 "[ . 1]" 1
1011 1 99 VAL HA 1 104 TYR QD 5.500 . 8.000 3.065 1.971 3.860 . 0 0 "[ . 1]" 1
1012 1 99 VAL HA 1 102 LYS QB 5.500 . 6.200 3.766 3.636 4.015 . 0 0 "[ . 1]" 1
1013 1 99 VAL HA 1 101 GLU H 5.500 . 5.500 5.322 5.004 5.513 0.013 5 0 "[ . 1]" 1
1014 1 99 VAL HB 1 106 ILE MD 5.500 . 6.500 3.626 3.176 4.385 . 0 0 "[ . 1]" 1
1015 1 99 VAL HB 1 104 TYR QB 7.000 . 7.700 3.749 3.522 4.037 . 0 0 "[ . 1]" 1
1016 1 99 VAL QG 1 100 GLN H 5.500 . 7.500 2.800 1.794 3.152 . 0 0 "[ . 1]" 1
1017 1 99 VAL QG 1 106 ILE MD 3.600 . 6.600 2.480 1.893 3.438 . 0 0 "[ . 1]" 1
1018 1 99 VAL QG 1 104 TYR QB 5.500 . 8.200 1.746 1.679 1.805 . 0 0 "[ . 1]" 1
1019 1 100 GLN H 1 100 GLN QB 3.600 . 4.300 2.142 2.031 2.267 . 0 0 "[ . 1]" 1
1020 1 100 GLN H 1 101 GLU H 3.600 . 3.600 3.007 2.771 3.181 . 0 0 "[ . 1]" 1
1021 1 99 VAL HA 1 100 GLN H 3.600 . 3.600 3.567 3.543 3.576 . 0 0 "[ . 1]" 1
1022 1 99 VAL HB 1 100 GLN H 3.600 . 3.600 2.293 1.951 3.708 0.108 3 0 "[ . 1]" 1
1023 1 97 GLY QA 1 100 GLN H 7.000 . 7.700 4.418 3.929 4.750 . 0 0 "[ . 1]" 1
1024 1 99 VAL QG 1 100 GLN HA 5.500 . 7.500 3.216 2.944 3.420 . 0 0 "[ . 1]" 1
1025 1 101 GLU H 1 104 TYR QB 7.000 . 7.700 5.805 5.541 6.005 . 0 0 "[ . 1]" 1
1026 1 101 GLU H 1 104 TYR QD 7.000 . 9.500 6.422 5.639 7.545 . 0 0 "[ . 1]" 1
1027 1 101 GLU H 1 102 LYS H 3.600 . 3.600 3.033 2.881 3.172 . 0 0 "[ . 1]" 1
1028 1 100 GLN HA 1 101 GLU H 3.600 . 3.600 3.569 3.562 3.577 . 0 0 "[ . 1]" 1
1029 1 100 GLN QB 1 101 GLU H 5.500 . 6.200 2.183 1.943 2.560 . 0 0 "[ . 1]" 1
1030 1 100 GLN QG 1 101 GLU H 5.500 . 6.200 3.972 3.360 4.412 . 0 0 "[ . 1]" 1
1031 1 101 GLU HA 1 104 TYR H 5.500 . 5.500 5.599 5.581 5.626 0.126 4 0 "[ . 1]" 1
1032 1 101 GLU HA 1 102 LYS H . . 3.600 3.577 3.566 3.582 . 0 0 "[ . 1]" 1
1033 1 101 GLU QB 1 103 GLY H 5.500 . 6.200 4.673 4.594 4.798 . 0 0 "[ . 1]" 1
1034 1 102 LYS H 1 102 LYS QB 3.600 . 4.300 2.232 2.078 2.556 . 0 0 "[ . 1]" 1
1035 1 102 LYS H 1 104 TYR H 7.000 . 7.000 4.738 4.672 4.914 . 0 0 "[ . 1]" 1
1036 1 102 LYS H 1 103 GLY H . . 4.500 2.941 2.904 2.969 . 0 0 "[ . 1]" 1
1037 1 101 GLU QB 1 102 LYS H 5.500 . 6.200 2.247 2.147 2.579 . 0 0 "[ . 1]" 1
1038 1 101 GLU QG 1 102 LYS H 5.500 . 6.200 3.905 3.672 4.358 . 0 0 "[ . 1]" 1
1039 1 99 VAL HA 1 102 LYS H 5.500 . 5.500 4.816 4.731 4.951 . 0 0 "[ . 1]" 1
1040 1 103 GLY H 1 104 TYR H 4.500 . 4.500 2.193 2.103 2.362 . 0 0 "[ . 1]" 1
1041 1 102 LYS HA 1 103 GLY H 3.600 . 3.600 3.557 3.543 3.569 . 0 0 "[ . 1]" 1
1042 1 102 LYS QB 1 103 GLY H 5.500 . 6.200 2.418 2.358 2.544 . 0 0 "[ . 1]" 1
1043 1 102 LYS QG 1 103 GLY H 7.000 . 7.700 4.112 3.823 4.416 . 0 0 "[ . 1]" 1
1044 1 104 TYR H 1 104 TYR QB 3.600 . 4.300 2.608 2.484 2.757 . 0 0 "[ . 1]" 1
1045 1 104 TYR H 1 104 TYR QE 5.500 . 8.000 5.273 4.733 5.842 . 0 0 "[ . 1]" 1
1046 1 103 GLY QA 1 104 TYR H 5.500 . 6.200 2.570 2.514 2.609 . 0 0 "[ . 1]" 1
1047 1 102 LYS QB 1 104 TYR H 5.500 . 6.200 4.081 3.894 4.372 . 0 0 "[ . 1]" 1
1048 1 101 GLU H 1 104 TYR H 7.000 . 7.000 5.113 4.956 5.296 . 0 0 "[ . 1]" 1
1049 1 104 TYR HA 1 104 TYR QD 3.600 . 6.100 2.917 2.006 3.180 . 0 0 "[ . 1]" 1
1050 1 104 TYR HA 1 104 TYR QE 5.500 . 8.000 4.565 4.326 4.751 . 0 0 "[ . 1]" 1
1051 1 104 TYR HA 1 105 THR MG 5.500 . 6.500 4.137 3.366 5.348 . 0 0 "[ . 1]" 1
1052 1 104 TYR HA 1 127 GLY H 5.500 . 5.500 3.951 3.253 4.805 . 0 0 "[ . 1]" 1
1053 1 104 TYR HA 1 126 LYS HA 3.600 . 3.600 2.984 2.552 3.248 . 0 0 "[ . 1]" 1
1054 1 104 TYR HA 1 126 LYS QG 7.000 . 7.700 3.980 3.391 6.242 . 0 0 "[ . 1]" 1
1055 1 104 TYR HA 1 125 ALA H 7.000 . 7.000 5.347 4.981 5.891 . 0 0 "[ . 1]" 1
1056 1 104 TYR QB 1 105 THR H . . 5.200 2.380 2.203 2.475 . 0 0 "[ . 1]" 1
1057 1 105 THR H 1 105 THR MG 4.200 . 5.200 2.822 2.054 3.974 . 0 0 "[ . 1]" 1
1058 1 105 THR H 1 106 ILE H 7.000 . 7.000 4.441 4.421 4.477 . 0 0 "[ . 1]" 1
1059 1 105 THR H 1 106 ILE HA 7.000 . 7.000 4.806 4.769 4.886 . 0 0 "[ . 1]" 1
1060 1 104 TYR H 1 105 THR H 7.000 . 7.000 4.460 4.435 4.492 . 0 0 "[ . 1]" 1
1061 1 104 TYR HA 1 105 THR H 3.200 . 3.200 2.417 2.357 2.489 . 0 0 "[ . 1]" 1
1062 1 104 TYR QD 1 105 THR H 4.200 . 6.700 3.494 2.821 4.007 . 0 0 "[ . 1]" 1
1063 1 104 TYR QE 1 105 THR H 7.000 . 9.500 5.555 4.824 6.028 . 0 0 "[ . 1]" 1
1064 1 105 THR H 1 126 LYS HA 4.200 . 4.200 3.774 3.474 4.044 . 0 0 "[ . 1]" 1
1065 1 105 THR H 1 126 LYS QB 5.500 . 6.200 5.169 4.137 5.959 . 0 0 "[ . 1]" 1
1066 1 105 THR H 1 126 LYS QG 7.000 . 7.700 5.351 4.846 6.289 . 0 0 "[ . 1]" 1
1067 1 105 THR H 1 125 ALA H . . 4.500 3.376 3.103 3.868 . 0 0 "[ . 1]" 1
1068 1 105 THR HB 1 107 ILE MG 7.000 . 8.000 4.758 3.529 5.288 . 0 0 "[ . 1]" 1
1069 1 104 TYR HA 1 105 THR HB 7.000 . 7.000 4.678 4.292 5.561 . 0 0 "[ . 1]" 1
1070 1 105 THR MG 1 125 ALA H 7.000 . 8.000 3.854 2.537 5.480 . 0 0 "[ . 1]" 1
1071 1 105 THR MG 1 106 ILE H 3.600 . 4.600 3.152 1.981 3.799 . 0 0 "[ . 1]" 1
1072 1 106 ILE H 1 106 ILE QG 4.500 . 5.200 2.685 2.034 2.977 . 0 0 "[ . 1]" 1
1073 1 106 ILE H 1 106 ILE MD 5.500 . 6.500 2.960 2.286 3.886 . 0 0 "[ . 1]" 1
1074 1 106 ILE H 1 107 ILE H 5.500 . 5.500 4.371 4.314 4.416 . 0 0 "[ . 1]" 1
1075 1 105 THR HA 1 106 ILE H 3.200 . 3.200 2.361 2.268 2.450 . 0 0 "[ . 1]" 1
1076 1 105 THR HB 1 106 ILE H 5.500 . 5.500 3.547 2.551 3.966 . 0 0 "[ . 1]" 1
1077 1 106 ILE HA 1 106 ILE MG 3.200 . 4.200 2.225 1.999 2.345 . 0 0 "[ . 1]" 1
1078 1 106 ILE HA 1 107 ILE QG 4.200 . 4.900 3.475 3.233 4.475 . 0 0 "[ . 1]" 1
1079 1 106 ILE HA 1 107 ILE MD 7.000 . 8.000 4.504 2.683 5.291 . 0 0 "[ . 1]" 1
1080 1 106 ILE HA 1 125 ALA H . . 4.200 3.677 2.913 3.998 . 0 0 "[ . 1]" 1
1081 1 106 ILE HA 1 124 LEU HA 3.200 . 3.200 2.573 1.994 2.781 . 0 0 "[ . 1]" 1
1082 1 106 ILE HA 1 123 ALA H 5.500 . 5.500 5.053 4.685 5.483 . 0 0 "[ . 1]" 1
1083 1 106 ILE HB 1 123 ALA H 7.000 . 7.000 6.546 5.049 6.934 . 0 0 "[ . 1]" 1
1084 1 106 ILE MG 1 125 ALA H . . 6.500 4.969 4.106 5.390 . 0 0 "[ . 1]" 1
1085 1 106 ILE MG 1 124 LEU HA 4.200 . 5.200 3.417 2.520 3.834 . 0 0 "[ . 1]" 1
1086 1 106 ILE MG 1 123 ALA H 5.500 . 6.500 3.938 3.654 4.627 . 0 0 "[ . 1]" 1
1087 1 106 ILE MG 1 107 ILE H 5.500 . 6.500 2.466 2.156 3.470 . 0 0 "[ . 1]" 1
1088 1 106 ILE MD 1 106 ILE MG 3.200 . 5.200 2.723 2.159 3.050 . 0 0 "[ . 1]" 1
1089 1 106 ILE MD 1 124 LEU HA 7.000 . 8.000 5.290 4.846 5.683 . 0 0 "[ . 1]" 1
1090 1 54 ILE H 1 106 ILE MD 7.000 . 8.000 2.495 1.804 2.940 . 0 0 "[ . 1]" 1
1091 1 106 ILE MD 1 107 ILE H 5.500 . 6.500 5.138 5.010 5.296 . 0 0 "[ . 1]" 1
1092 1 95 LEU QD 1 106 ILE MD 7.000 . 10.000 3.692 2.143 5.230 . 0 0 "[ . 1]" 1
1093 1 107 ILE H 1 107 ILE MG 4.200 . 5.200 3.318 3.010 3.851 . 0 0 "[ . 1]" 1
1094 1 107 ILE H 1 107 ILE MD 5.500 . 6.500 3.190 1.956 3.898 . 0 0 "[ . 1]" 1
1095 1 107 ILE H 1 125 ALA H 7.000 . 7.000 4.521 3.846 4.945 . 0 0 "[ . 1]" 1
1096 1 107 ILE H 1 124 LEU H 7.000 . 7.000 5.188 4.823 5.428 . 0 0 "[ . 1]" 1
1097 1 107 ILE H 1 124 LEU HA 5.500 . 5.500 3.509 2.987 4.013 . 0 0 "[ . 1]" 1
1098 1 107 ILE H 1 123 ALA H 4.200 . 4.200 3.521 3.228 3.927 . 0 0 "[ . 1]" 1
1099 1 107 ILE H 1 123 ALA MB 5.500 . 6.500 4.394 4.099 4.623 . 0 0 "[ . 1]" 1
1100 1 107 ILE H 1 108 PRO QD 7.000 . 7.700 4.359 4.308 4.376 . 0 0 "[ . 1]" 1
1101 1 106 ILE HA 1 107 ILE H 3.200 . 3.200 2.132 2.098 2.165 . 0 0 "[ . 1]" 1
1102 1 106 ILE HB 1 107 ILE H 7.000 . 7.000 3.885 3.164 4.116 . 0 0 "[ . 1]" 1
1103 1 107 ILE HA 1 107 ILE MG 3.200 . 4.200 2.180 1.937 2.369 . 0 0 "[ . 1]" 1
1104 1 107 ILE HA 1 107 ILE MD 4.500 . 5.500 3.846 3.465 4.149 . 0 0 "[ . 1]" 1
1105 1 107 ILE HA 1 123 ALA MB 7.000 . 8.000 6.183 5.881 6.474 . 0 0 "[ . 1]" 1
1106 1 107 ILE HA 1 108 PRO QG 5.500 . 6.200 3.967 3.663 4.035 . 0 0 "[ . 1]" 1
1107 1 107 ILE HA 1 108 PRO QD 5.500 . 6.200 2.028 1.861 2.081 . 0 0 "[ . 1]" 1
1108 1 52 VAL HA 1 107 ILE HA 7.000 . 7.000 5.055 4.791 5.461 . 0 0 "[ . 1]" 1
1109 1 106 ILE HA 1 107 ILE HB 5.500 . 5.500 5.564 5.352 5.618 0.118 8 0 "[ . 1]" 1
1110 1 107 ILE HB 1 108 PRO QD 4.200 . 4.900 2.330 2.063 2.804 . 0 0 "[ . 1]" 1
1111 1 107 ILE HB 1 108 PRO QG 5.500 . 6.200 4.114 3.892 4.529 . 0 0 "[ . 1]" 1
1112 1 107 ILE MG 1 108 PRO QG 5.500 . 7.200 4.333 3.428 4.748 . 0 0 "[ . 1]" 1
1113 1 107 ILE MG 1 108 PRO QD 5.500 . 7.200 2.700 1.860 3.109 . 0 0 "[ . 1]" 1
1114 1 107 ILE MD 1 107 ILE MG 3.200 . 5.200 2.618 1.741 3.229 . 0 0 "[ . 1]" 1
1115 1 107 ILE MD 1 108 PRO QG 7.000 . 8.700 5.052 4.410 5.919 . 0 0 "[ . 1]" 1
1116 1 107 ILE MD 1 108 PRO QD 5.500 . 7.200 3.839 3.413 4.409 . 0 0 "[ . 1]" 1
1117 1 108 PRO HA 1 122 ILE HA 3.600 . 3.600 2.756 2.540 3.021 . 0 0 "[ . 1]" 1
1118 1 107 ILE QG 1 108 PRO QD 7.000 . 8.400 4.014 3.617 4.147 . 0 0 "[ . 1]" 1
1119 1 51 PHE QB 1 108 PRO QD 7.000 . 8.400 3.637 3.277 4.166 . 0 0 "[ . 1]" 1
1120 1 109 LEU H 1 123 ALA H . . 5.500 4.502 3.797 4.828 . 0 0 "[ . 1]" 1
1121 1 109 LEU H 1 123 ALA MB 7.000 . 8.000 5.279 4.472 5.668 . 0 0 "[ . 1]" 1
1122 1 109 LEU H 1 122 ILE HA . . 4.200 3.099 2.853 3.421 . 0 0 "[ . 1]" 1
1123 1 109 LEU H 1 122 ILE HB . . 5.500 5.031 3.808 5.516 0.016 5 0 "[ . 1]" 1
1124 1 109 LEU H 1 121 LEU H 7.000 . 7.000 4.101 3.790 4.394 . 0 0 "[ . 1]" 1
1125 1 109 LEU H 1 121 LEU QB 5.500 . 6.200 4.300 3.751 4.613 . 0 0 "[ . 1]" 1
1126 1 109 LEU H 1 121 LEU QD 7.000 . 9.000 4.824 4.212 5.250 . 0 0 "[ . 1]" 1
1127 1 109 LEU H 1 110 LYS H 3.200 . 3.200 3.171 3.046 3.247 0.047 10 0 "[ . 1]" 1
1128 1 108 PRO HA 1 109 LEU H 3.600 . 3.600 2.265 2.174 2.392 . 0 0 "[ . 1]" 1
1129 1 109 LEU HA 1 109 LEU HG 4.500 . 4.500 3.184 2.384 3.717 . 0 0 "[ . 1]" 1
1130 1 109 LEU HA 1 110 LYS H . . 4.500 3.498 3.463 3.533 . 0 0 "[ . 1]" 1
1131 1 109 LEU QB 1 110 LYS H 5.500 . 6.200 1.804 1.636 1.929 . 0 0 "[ . 1]" 1
1132 1 11 GLU HA 1 109 LEU QB 7.000 . 7.700 5.450 4.517 6.015 . 0 0 "[ . 1]" 1
1133 1 110 LYS H 1 122 ILE HA 5.500 . 5.500 5.224 4.796 5.518 0.018 7 0 "[ . 1]" 1
1134 1 110 LYS H 1 121 LEU H 4.200 . 4.200 3.447 3.072 3.652 . 0 0 "[ . 1]" 1
1135 1 110 LYS H 1 120 VAL QG 5.500 . 7.500 4.010 3.847 4.210 . 0 0 "[ . 1]" 1
1136 1 110 LYS H 1 111 LEU H 5.500 . 5.500 4.302 4.273 4.373 . 0 0 "[ . 1]" 1
1137 1 110 LYS H 1 111 LEU HA 7.000 . 7.000 4.940 4.892 4.965 . 0 0 "[ . 1]" 1
1138 1 109 LEU QD 1 110 LYS H 7.000 . 9.000 2.673 1.901 3.535 . 0 0 "[ . 1]" 1
1139 1 11 GLU HA 1 110 LYS H 5.500 . 5.500 5.047 4.621 5.374 . 0 0 "[ . 1]" 1
1140 1 11 GLU HA 1 110 LYS HA 5.500 . 5.500 3.391 3.092 3.999 . 0 0 "[ . 1]" 1
1141 1 11 GLU QB 1 110 LYS HA 5.500 . 6.200 4.812 4.354 5.403 . 0 0 "[ . 1]" 1
1142 1 9 ILE HB 1 110 LYS HA 5.500 . 5.500 5.594 5.570 5.617 0.117 2 0 "[ . 1]" 1
1143 1 110 LYS QB 1 110 LYS QD 3.200 . 4.600 2.077 1.962 2.178 . 0 0 "[ . 1]" 1
1144 1 110 LYS QB 1 112 TYR QD 4.200 . 7.400 3.612 2.785 4.090 . 0 0 "[ . 1]" 1
1145 1 110 LYS QB 1 112 TYR QE 7.000 . 10.200 4.401 2.440 5.557 . 0 0 "[ . 1]" 1
1146 1 11 GLU HA 1 110 LYS QB 5.500 . 6.200 3.022 1.835 3.930 . 0 0 "[ . 1]" 1
1147 1 111 LEU H 1 111 LEU QD 4.200 . 6.200 2.644 2.126 3.186 . 0 0 "[ . 1]" 1
1148 1 111 LEU H 1 112 TYR H 7.000 . 7.000 4.215 4.198 4.241 . 0 0 "[ . 1]" 1
1149 1 111 LEU H 1 112 TYR QD 7.000 . 9.500 4.520 3.958 5.004 . 0 0 "[ . 1]" 1
1150 1 110 LYS HA 1 111 LEU H 3.200 . 3.200 2.104 2.087 2.153 . 0 0 "[ . 1]" 1
1151 1 110 LYS QB 1 111 LEU H 5.500 . 6.200 3.257 2.883 3.761 . 0 0 "[ . 1]" 1
1152 1 111 LEU H 1 120 VAL HA 4.200 . 4.200 4.327 4.299 4.356 0.156 3 0 "[ . 1]" 1
1153 1 11 GLU HA 1 111 LEU H 5.500 . 5.500 5.079 4.714 5.519 0.019 10 0 "[ . 1]" 1
1154 1 10 ALA HA 1 111 LEU H 7.000 . 7.000 4.398 4.303 4.641 . 0 0 "[ . 1]" 1
1155 1 111 LEU HA 1 121 LEU H . . 4.200 3.379 3.108 3.596 . 0 0 "[ . 1]" 1
1156 1 111 LEU HA 1 120 VAL HA 3.200 . 3.200 2.272 2.188 2.329 . 0 0 "[ . 1]" 1
1157 1 111 LEU HA 1 120 VAL HB 5.500 . 5.500 5.053 3.808 5.249 . 0 0 "[ . 1]" 1
1158 1 111 LEU HA 1 119 LYS H 5.500 . 5.500 4.066 3.846 4.346 . 0 0 "[ . 1]" 1
1159 1 111 LEU HA 1 118 VAL QG 5.500 . 7.500 3.735 3.008 4.564 . 0 0 "[ . 1]" 1
1160 1 111 LEU HA 1 112 TYR QD 4.500 . 7.000 3.537 2.852 4.233 . 0 0 "[ . 1]" 1
1161 1 111 LEU HA 1 112 TYR QE 7.000 . 9.500 4.678 4.316 5.159 . 0 0 "[ . 1]" 1
1162 1 9 ILE H 1 111 LEU HA 7.000 . 7.000 5.104 4.981 5.171 . 0 0 "[ . 1]" 1
1163 1 9 ILE MG 1 111 LEU HA 7.000 . 8.000 6.151 5.911 6.223 . 0 0 "[ . 1]" 1
1164 1 111 LEU QB 1 118 VAL QG 4.500 . 7.200 2.511 1.750 3.374 . 0 0 "[ . 1]" 1
1165 1 111 LEU QB 1 112 TYR H . . 5.200 3.225 3.193 3.287 . 0 0 "[ . 1]" 1
1166 1 111 LEU QB 1 112 TYR HA 7.000 . 7.700 4.469 4.411 4.621 . 0 0 "[ . 1]" 1
1167 1 110 LYS HA 1 111 LEU QB 7.000 . 7.700 4.335 4.222 4.397 . 0 0 "[ . 1]" 1
1168 1 10 ALA H 1 111 LEU QB 7.000 . 7.700 5.971 5.692 6.781 . 0 0 "[ . 1]" 1
1169 1 9 ILE H 1 111 LEU QB 7.000 . 7.700 5.508 5.308 5.656 . 0 0 "[ . 1]" 1
1170 1 9 ILE MG 1 111 LEU QB 5.500 . 7.200 5.044 4.728 5.219 . 0 0 "[ . 1]" 1
1171 1 9 ILE MD 1 111 LEU QB 7.000 . 8.700 5.009 3.704 6.338 . 0 0 "[ . 1]" 1
1172 1 111 LEU HG 1 118 VAL QG 4.500 . 6.500 3.405 2.998 3.995 . 0 0 "[ . 1]" 1
1173 1 111 LEU HG 1 112 TYR H 5.500 . 5.500 4.474 4.402 4.522 . 0 0 "[ . 1]" 1
1174 1 10 ALA H 1 111 LEU HG 5.500 . 5.500 4.019 3.625 5.182 . 0 0 "[ . 1]" 1
1175 1 9 ILE MG 1 111 LEU HG 5.500 . 6.500 3.455 3.109 3.734 . 0 0 "[ . 1]" 1
1176 1 111 LEU QD 1 120 VAL HA 5.500 . 7.500 3.466 3.393 3.600 . 0 0 "[ . 1]" 1
1177 1 111 LEU QD 1 118 VAL QG 3.200 . 7.200 1.850 1.725 2.075 . 0 0 "[ . 1]" 1
1178 1 112 TYR H 1 112 TYR QD 3.600 . 6.100 2.623 1.992 3.206 . 0 0 "[ . 1]" 1
1179 1 112 TYR H 1 121 LEU H 5.500 . 5.500 5.253 4.982 5.497 . 0 0 "[ . 1]" 1
1180 1 112 TYR H 1 120 VAL HA 4.500 . 4.500 4.007 3.874 4.103 . 0 0 "[ . 1]" 1
1181 1 112 TYR H 1 119 LYS H 4.200 . 4.200 2.980 2.773 3.255 . 0 0 "[ . 1]" 1
1182 1 112 TYR H 1 118 VAL HA 5.500 . 5.500 4.265 4.035 4.556 . 0 0 "[ . 1]" 1
1183 1 112 TYR H 1 118 VAL QG 5.500 . 7.500 3.008 2.284 3.943 . 0 0 "[ . 1]" 1
1184 1 112 TYR H 1 113 TRP H 7.000 . 7.000 4.465 4.443 4.494 . 0 0 "[ . 1]" 1
1185 1 112 TYR H 1 113 TRP HA 7.000 . 7.000 4.634 4.611 4.678 . 0 0 "[ . 1]" 1
1186 1 111 LEU HA 1 112 TYR H 3.200 . 3.200 2.119 2.105 2.145 . 0 0 "[ . 1]" 1
1187 1 111 LEU QD 1 112 TYR H 5.500 . 7.500 4.034 3.539 4.293 . 0 0 "[ . 1]" 1
1188 1 10 ALA H 1 112 TYR H 7.000 . 7.000 7.185 7.160 7.260 0.260 10 0 "[ . 1]" 1
1189 1 9 ILE MG 1 112 TYR H 7.000 . 8.000 6.050 5.853 6.177 . 0 0 "[ . 1]" 1
1190 1 9 ILE HB 1 112 TYR QB 7.000 . 8.400 4.299 4.115 4.674 . 0 0 "[ . 1]" 1
1191 1 113 TRP H 1 113 TRP HD1 3.600 . 3.600 2.437 2.131 2.742 . 0 0 "[ . 1]" 1
1192 1 113 TRP H 1 113 TRP HE1 7.000 . 7.000 4.036 3.910 4.243 . 0 0 "[ . 1]" 1
1193 1 113 TRP H 1 118 VAL HA 7.000 . 7.000 3.786 3.721 3.864 . 0 0 "[ . 1]" 1
1194 1 113 TRP H 1 114 LYS H 7.000 . 7.000 4.365 4.340 4.398 . 0 0 "[ . 1]" 1
1195 1 112 TYR HA 1 113 TRP H 3.600 . 3.600 2.378 2.314 2.430 . 0 0 "[ . 1]" 1
1196 1 112 TYR QB 1 113 TRP H 4.200 . 4.900 2.765 2.648 2.936 . 0 0 "[ . 1]" 1
1197 1 112 TYR QD 1 113 TRP H 5.500 . 8.000 3.880 3.504 4.325 . 0 0 "[ . 1]" 1
1198 1 9 ILE MG 1 113 TRP H 7.000 . 8.000 5.264 4.970 5.544 . 0 0 "[ . 1]" 1
1199 1 113 TRP HA 1 113 TRP HD1 3.600 . 3.600 3.827 3.784 3.886 0.286 6 0 "[ . 1]" 1
1200 1 113 TRP HA 1 118 VAL HA 3.600 . 3.600 1.944 1.826 2.199 . 0 0 "[ . 1]" 1
1201 1 113 TRP HA 1 118 VAL QG 4.500 . 6.500 2.951 2.665 3.171 . 0 0 "[ . 1]" 1
1202 1 113 TRP HA 1 119 LYS H . . 4.200 3.264 3.043 3.454 . 0 0 "[ . 1]" 1
1203 1 113 TRP HA 1 117 LYS H 7.000 . 7.000 4.246 4.145 4.376 . 0 0 "[ . 1]" 1
1204 1 113 TRP QB 1 113 TRP HD1 3.200 . 3.900 2.982 2.921 3.030 . 0 0 "[ . 1]" 1
1205 1 113 TRP QB 1 118 VAL HA 5.500 . 6.200 2.082 1.859 2.247 . 0 0 "[ . 1]" 1
1206 1 113 TRP QB 1 117 LYS H 7.000 . 7.700 3.040 2.905 3.170 . 0 0 "[ . 1]" 1
1207 1 113 TRP QB 1 116 ASN H 7.000 . 7.700 3.805 3.624 3.933 . 0 0 "[ . 1]" 1
1208 1 113 TRP QB 1 116 ASN HA 7.000 . 7.700 4.097 3.835 4.352 . 0 0 "[ . 1]" 1
1209 1 113 TRP QB 1 114 LYS HA 5.500 . 6.200 4.406 4.375 4.436 . 0 0 "[ . 1]" 1
1210 1 9 ILE MD 1 113 TRP QB 7.000 . 8.700 4.070 3.084 5.176 . 0 0 "[ . 1]" 1
1211 1 7 ILE QG 1 113 TRP QB 7.000 . 8.400 5.856 5.025 6.325 . 0 0 "[ . 1]" 1
1212 1 114 LYS H 1 114 LYS QD 5.500 . 6.200 4.136 2.584 4.700 . 0 0 "[ . 1]" 1
1213 1 114 LYS H 1 114 LYS QE 7.000 . 7.700 4.941 3.667 6.059 . 0 0 "[ . 1]" 1
1214 1 114 LYS H 1 119 LYS H 5.500 . 5.500 4.644 4.442 4.848 . 0 0 "[ . 1]" 1
1215 1 114 LYS H 1 118 VAL HA 5.500 . 5.500 3.720 3.588 3.986 . 0 0 "[ . 1]" 1
1216 1 114 LYS H 1 118 VAL QG 7.000 . 9.000 4.496 4.383 4.756 . 0 0 "[ . 1]" 1
1217 1 114 LYS H 1 117 LYS H 5.500 . 5.500 3.534 3.470 3.613 . 0 0 "[ . 1]" 1
1218 1 114 LYS H 1 116 ASN HA 7.000 . 7.000 5.788 5.734 5.843 . 0 0 "[ . 1]" 1
1219 1 114 LYS H 1 115 ASN HA 7.000 . 7.000 6.028 6.001 6.047 . 0 0 "[ . 1]" 1
1220 1 113 TRP HA 1 114 LYS H 3.600 . 3.600 2.048 2.042 2.054 . 0 0 "[ . 1]" 1
1221 1 113 TRP QB 1 114 LYS H 5.500 . 6.200 3.146 3.114 3.159 . 0 0 "[ . 1]" 1
1222 1 113 TRP HD1 1 114 LYS H 5.500 . 5.500 4.508 4.429 4.593 . 0 0 "[ . 1]" 1
1223 1 112 TYR QD 1 114 LYS H 7.000 . 9.500 4.105 3.441 4.592 . 0 0 "[ . 1]" 1
1224 1 7 ILE HB 1 114 LYS H 7.000 . 7.000 6.703 6.431 7.005 0.005 10 0 "[ . 1]" 1
1225 1 112 TYR QD 1 114 LYS HA 5.500 . 8.000 4.619 4.078 5.380 . 0 0 "[ . 1]" 1
1226 1 114 LYS QB 1 118 VAL HA 7.000 . 7.700 5.728 5.377 6.230 . 0 0 "[ . 1]" 1
1227 1 114 LYS QB 1 116 ASN HA 7.000 . 7.700 6.487 6.348 6.557 . 0 0 "[ . 1]" 1
1228 1 112 TYR QD 1 114 LYS QB 5.500 . 8.700 3.449 2.847 4.439 . 0 0 "[ . 1]" 1
1229 1 7 ILE H 1 114 LYS QB 7.000 . 7.700 4.717 4.231 5.175 . 0 0 "[ . 1]" 1
1230 1 112 TYR QD 1 114 LYS QG 5.500 . 8.700 3.998 2.157 5.308 . 0 0 "[ . 1]" 1
1231 1 7 ILE H 1 114 LYS QG 7.000 . 7.700 5.104 4.134 5.945 . 0 0 "[ . 1]" 1
1232 1 115 ASN H 1 117 LYS H . . 5.500 5.033 5.011 5.070 . 0 0 "[ . 1]" 1
1233 1 115 ASN H 1 116 ASN H 7.000 . 7.000 3.549 3.514 3.605 . 0 0 "[ . 1]" 1
1234 1 114 LYS HA 1 115 ASN H 5.500 . 5.500 2.284 2.255 2.314 . 0 0 "[ . 1]" 1
1235 1 114 LYS QB 1 115 ASN H 7.000 . 7.700 3.157 2.733 3.590 . 0 0 "[ . 1]" 1
1236 1 114 LYS QG 1 115 ASN H 7.000 . 7.700 3.174 2.022 4.434 . 0 0 "[ . 1]" 1
1237 1 114 LYS QD 1 115 ASN H 7.000 . 7.700 4.252 3.250 5.325 . 0 0 "[ . 1]" 1
1238 1 6 ILE HA 1 115 ASN H 7.000 . 7.000 3.920 3.421 4.411 . 0 0 "[ . 1]" 1
1239 1 115 ASN QB 1 116 ASN H 5.500 . 6.200 2.376 2.224 2.476 . 0 0 "[ . 1]" 1
1240 1 116 ASN H 1 117 LYS H 5.500 . 5.500 1.723 1.707 1.734 . 0 0 "[ . 1]" 1
1241 1 116 ASN H 1 117 LYS QB 7.000 . 7.700 4.168 3.981 4.539 . 0 0 "[ . 1]" 1
1242 1 115 ASN HA 1 116 ASN H 3.600 . 3.600 3.592 3.590 3.595 . 0 0 "[ . 1]" 1
1243 1 114 LYS HA 1 116 ASN H 7.000 . 7.000 4.029 3.989 4.097 . 0 0 "[ . 1]" 1
1244 1 113 TRP HD1 1 116 ASN H 7.000 . 7.000 5.738 5.640 5.826 . 0 0 "[ . 1]" 1
1245 1 113 TRP HD1 1 116 ASN HA 5.500 . 5.500 5.549 5.534 5.556 0.056 4 0 "[ . 1]" 1
1246 1 117 LYS H 1 118 VAL H 7.000 . 7.000 4.456 4.442 4.467 . 0 0 "[ . 1]" 1
1247 1 116 ASN HA 1 117 LYS H 5.500 . 5.500 3.426 3.399 3.445 . 0 0 "[ . 1]" 1
1248 1 116 ASN QB 1 117 LYS H 5.500 . 6.200 3.378 3.277 3.820 . 0 0 "[ . 1]" 1
1249 1 113 TRP HD1 1 117 LYS H 7.000 . 7.000 5.747 5.688 5.823 . 0 0 "[ . 1]" 1
1250 1 117 LYS HA 1 118 VAL HA 7.000 . 7.000 4.258 4.236 4.278 . 0 0 "[ . 1]" 1
1251 1 117 LYS HA 1 118 VAL QG 5.500 . 6.500 3.092 3.015 3.188 . 0 0 "[ . 1]" 1
1252 1 113 TRP HD1 1 117 LYS HA 5.500 . 5.500 5.749 5.705 5.775 0.275 4 0 "[ . 1]" 1
1253 1 113 TRP HZ3 1 117 LYS HA 5.500 . 5.500 5.389 5.019 5.571 0.071 2 0 "[ . 1]" 1
1254 1 29 ILE HB 1 117 LYS HA 7.000 . 7.000 6.404 5.157 7.005 0.005 5 0 "[ . 1]" 1
1255 1 117 LYS QB 1 118 VAL H . . 4.900 2.478 2.314 2.813 . 0 0 "[ . 1]" 1
1256 1 117 LYS QB 1 118 VAL QG 7.000 . 7.200 3.650 3.377 3.964 . 0 0 "[ . 1]" 1
1257 1 114 LYS H 1 117 LYS QB 7.000 . 7.700 5.012 4.852 5.454 . 0 0 "[ . 1]" 1
1258 1 117 LYS QE 1 117 LYS QG 3.200 . 4.600 2.089 1.961 2.337 . 0 0 "[ . 1]" 1
1259 1 118 VAL H 1 118 VAL HB 3.600 . 3.600 3.166 2.662 3.481 . 0 0 "[ . 1]" 1
1260 1 118 VAL H 1 118 VAL QG 3.200 . 5.200 1.784 1.701 1.953 . 0 0 "[ . 1]" 1
1261 1 118 VAL H 1 119 LYS H 5.500 . 5.500 4.535 4.524 4.541 . 0 0 "[ . 1]" 1
1262 1 117 LYS HA 1 118 VAL H 3.200 . 3.200 2.328 2.267 2.379 . 0 0 "[ . 1]" 1
1263 1 117 LYS QG 1 118 VAL H 5.500 . 6.200 3.220 2.007 3.810 . 0 0 "[ . 1]" 1
1264 1 114 LYS H 1 118 VAL H 7.000 . 7.000 5.350 5.268 5.487 . 0 0 "[ . 1]" 1
1265 1 113 TRP HD1 1 118 VAL H 7.000 . 7.000 6.335 6.204 6.429 . 0 0 "[ . 1]" 1
1266 1 113 TRP HE3 1 118 VAL H 7.000 . 7.000 3.090 2.944 3.253 . 0 0 "[ . 1]" 1
1267 1 118 VAL HA 1 119 LYS QB 7.000 . 7.700 4.101 3.900 4.527 . 0 0 "[ . 1]" 1
1268 1 117 LYS QB 1 118 VAL HA 7.000 . 7.700 4.370 4.310 4.545 . 0 0 "[ . 1]" 1
1269 1 117 LYS QG 1 118 VAL HA 7.000 . 7.700 5.271 4.566 5.893 . 0 0 "[ . 1]" 1
1270 1 113 TRP HD1 1 118 VAL HA 7.000 . 7.000 5.116 5.047 5.170 . 0 0 "[ . 1]" 1
1271 1 29 ILE H 1 118 VAL HB 7.000 . 7.000 3.569 3.347 3.824 . 0 0 "[ . 1]" 1
1272 1 29 ILE HA 1 118 VAL HB 5.500 . 5.500 5.537 5.486 5.574 0.074 6 0 "[ . 1]" 1
1273 1 118 VAL QG 1 119 LYS H 3.600 . 5.600 2.403 1.807 3.038 . 0 0 "[ . 1]" 1
1274 1 113 TRP HE1 1 118 VAL QG 7.000 . 9.000 4.671 4.458 4.951 . 0 0 "[ . 1]" 1
1275 1 119 LYS H 1 119 LYS QD 5.500 . 6.200 4.245 2.628 4.976 . 0 0 "[ . 1]" 1
1276 1 118 VAL HA 1 119 LYS H 3.200 . 3.200 2.121 2.064 2.180 . 0 0 "[ . 1]" 1
1277 1 118 VAL HB 1 119 LYS H 4.200 . 4.200 3.223 2.922 3.611 . 0 0 "[ . 1]" 1
1278 1 113 TRP QB 1 119 LYS H 7.000 . 7.700 4.033 3.744 4.214 . 0 0 "[ . 1]" 1
1279 1 113 TRP HD1 1 119 LYS H 7.000 . 7.000 6.671 6.540 6.809 . 0 0 "[ . 1]" 1
1280 1 112 TYR QD 1 119 LYS H 5.500 . 8.000 4.473 4.067 4.753 . 0 0 "[ . 1]" 1
1281 1 111 LEU QD 1 119 LYS H 7.000 . 9.000 4.223 3.644 4.545 . 0 0 "[ . 1]" 1
1282 1 118 VAL QG 1 119 LYS HA 5.500 . 7.500 4.043 3.532 4.340 . 0 0 "[ . 1]" 1
1283 1 114 LYS H 1 119 LYS QB 7.000 . 7.700 4.842 4.292 5.489 . 0 0 "[ . 1]" 1
1284 1 112 TYR H 1 119 LYS QB 7.000 . 7.700 3.959 3.748 4.695 . 0 0 "[ . 1]" 1
1285 1 112 TYR QD 1 119 LYS QB 7.000 . 10.200 4.470 4.225 5.190 . 0 0 "[ . 1]" 1
1286 1 120 VAL H 1 120 VAL HB 4.200 . 4.200 2.703 2.619 2.990 . 0 0 "[ . 1]" 1
1287 1 120 VAL H 1 120 VAL QG 3.600 . 5.600 2.381 1.938 2.478 . 0 0 "[ . 1]" 1
1288 1 119 LYS HA 1 120 VAL H 3.200 . 3.200 2.186 2.169 2.192 . 0 0 "[ . 1]" 1
1289 1 119 LYS QB 1 120 VAL H 4.200 . 4.900 3.479 3.271 3.796 . 0 0 "[ . 1]" 1
1290 1 112 TYR QD 1 120 VAL H 7.000 . 9.500 6.997 6.544 7.303 . 0 0 "[ . 1]" 1
1291 1 26 GLU HA 1 120 VAL H 5.500 . 6.200 5.165 4.669 5.629 . 0 0 "[ . 1]" 1
1292 1 26 GLU QB 1 120 VAL H 7.000 . 7.700 5.568 4.794 6.577 . 0 0 "[ . 1]" 1
1293 1 27 ALA H 1 120 VAL HB 7.000 . 7.000 4.055 3.573 5.790 . 0 0 "[ . 1]" 1
1294 1 109 LEU H 1 120 VAL QG 7.000 . 9.000 3.142 2.945 3.278 . 0 0 "[ . 1]" 1
1295 1 121 LEU H 1 121 LEU HG 4.500 . 4.500 4.491 4.442 4.521 0.021 8 0 "[ . 1]" 1
1296 1 121 LEU H 1 121 LEU QD 4.200 . 6.200 3.798 3.713 3.850 . 0 0 "[ . 1]" 1
1297 1 121 LEU H 1 122 ILE H 7.000 . 7.000 4.413 4.360 4.448 . 0 0 "[ . 1]" 1
1298 1 120 VAL HA 1 121 LEU H 3.200 . 3.200 2.166 2.147 2.179 . 0 0 "[ . 1]" 1
1299 1 120 VAL HB 1 121 LEU H 4.200 . 4.200 4.030 3.910 4.137 . 0 0 "[ . 1]" 1
1300 1 120 VAL QG 1 121 LEU H 5.500 . 7.500 2.374 2.184 2.654 . 0 0 "[ . 1]" 1
1301 1 111 LEU H 1 121 LEU H 7.000 . 7.000 4.752 4.618 4.948 . 0 0 "[ . 1]" 1
1302 1 121 LEU HA 1 121 LEU QD 3.600 . 5.600 2.646 2.222 3.055 . 0 0 "[ . 1]" 1
1303 1 120 VAL QG 1 121 LEU HA 5.500 . 7.500 3.892 3.494 4.127 . 0 0 "[ . 1]" 1
1304 1 26 GLU QB 1 121 LEU HA 5.500 . 6.200 4.696 4.083 5.099 . 0 0 "[ . 1]" 1
1305 1 121 LEU QB 1 122 ILE H 7.000 . 7.700 3.761 3.718 3.798 . 0 0 "[ . 1]" 1
1306 1 112 TYR QD 1 121 LEU QB 5.500 . 8.700 5.554 5.089 6.126 . 0 0 "[ . 1]" 1
1307 1 110 LYS H 1 121 LEU QB 5.500 . 6.200 2.930 2.466 3.371 . 0 0 "[ . 1]" 1
1308 1 121 LEU QD 1 122 ILE H 5.500 . 7.500 3.286 2.713 3.626 . 0 0 "[ . 1]" 1
1309 1 112 TYR QD 1 121 LEU QD 7.000 . 11.500 5.818 5.332 6.312 . 0 0 "[ . 1]" 1
1310 1 110 LYS H 1 121 LEU QD 5.500 . 7.500 3.779 3.358 4.266 . 0 0 "[ . 1]" 1
1311 1 110 LYS QB 1 121 LEU QD 7.000 . 9.700 4.552 3.738 5.584 . 0 0 "[ . 1]" 1
1312 1 27 ALA H 1 121 LEU QD 5.500 . 7.500 5.002 4.420 5.841 . 0 0 "[ . 1]" 1
1313 1 25 TYR H 1 121 LEU QD 5.500 . 7.500 4.219 3.642 4.791 . 0 0 "[ . 1]" 1
1314 1 24 THR HA 1 121 LEU QD 7.000 . 9.000 4.867 4.405 5.308 . 0 0 "[ . 1]" 1
1315 1 122 ILE H 1 122 ILE MD 5.500 . 6.500 3.519 1.974 4.762 . 0 0 "[ . 1]" 1
1316 1 122 ILE H 1 123 ALA H 7.000 . 7.000 4.457 4.406 4.512 . 0 0 "[ . 1]" 1
1317 1 121 LEU HA 1 122 ILE H 3.600 . 3.600 2.162 2.149 2.169 . 0 0 "[ . 1]" 1
1318 1 121 LEU HG 1 122 ILE H 5.500 . 5.500 2.873 2.734 3.196 . 0 0 "[ . 1]" 1
1319 1 27 ALA H 1 122 ILE H 7.000 . 7.000 4.691 4.310 5.231 . 0 0 "[ . 1]" 1
1320 1 24 THR HA 1 122 ILE H 7.000 . 7.000 5.045 4.586 5.407 . 0 0 "[ . 1]" 1
1321 1 122 ILE HA 1 122 ILE MD 4.500 . 5.500 3.922 3.342 4.178 . 0 0 "[ . 1]" 1
1322 1 108 PRO QB 1 122 ILE HA 5.500 . 6.200 4.513 4.314 4.750 . 0 0 "[ . 1]" 1
1323 1 108 PRO HA 1 122 ILE HB 5.500 . 5.500 3.647 2.542 4.268 . 0 0 "[ . 1]" 1
1324 1 108 PRO QB 1 122 ILE HB 7.000 . 7.700 4.971 3.612 5.672 . 0 0 "[ . 1]" 1
1325 1 122 ILE MG 1 123 ALA H 3.600 . 4.600 3.800 3.593 3.957 . 0 0 "[ . 1]" 1
1326 1 109 LEU H 1 122 ILE MG 5.500 . 6.500 3.526 2.646 4.991 . 0 0 "[ . 1]" 1
1327 1 108 PRO HA 1 122 ILE MG 5.500 . 6.500 2.458 1.871 4.173 . 0 0 "[ . 1]" 1
1328 1 108 PRO QB 1 122 ILE MG 7.000 . 8.700 3.237 2.636 4.713 . 0 0 "[ . 1]" 1
1329 1 122 ILE MD 1 122 ILE MG 3.200 . 5.200 2.011 1.675 2.613 . 0 0 "[ . 1]" 1
1330 1 108 PRO HA 1 122 ILE MD 7.000 . 8.000 4.543 2.143 5.430 . 0 0 "[ . 1]" 1
1331 1 27 ALA H 1 122 ILE MD 7.000 . 8.000 4.695 2.894 6.732 . 0 0 "[ . 1]" 1
1332 1 25 TYR QD 1 122 ILE MD 5.500 . 9.000 3.568 2.186 4.726 . 0 0 "[ . 1]" 1
1333 1 24 THR HA 1 122 ILE MD 7.000 . 8.000 4.996 4.345 6.073 . 0 0 "[ . 1]" 1
1334 1 123 ALA H 1 123 ALA MB 3.200 . 4.200 2.378 2.199 2.551 . 0 0 "[ . 1]" 1
1335 1 123 ALA H 1 124 LEU H 7.000 . 7.000 4.417 4.372 4.474 . 0 0 "[ . 1]" 1
1336 1 122 ILE HA 1 123 ALA H 3.600 . 3.600 2.205 2.129 2.303 . 0 0 "[ . 1]" 1
1337 1 122 ILE HB 1 123 ALA H 3.600 . 3.600 3.045 2.635 3.723 0.123 3 0 "[ . 1]" 1
1338 1 122 ILE QG 1 123 ALA H 4.200 . 4.900 3.793 1.816 4.400 . 0 0 "[ . 1]" 1
1339 1 122 ILE MD 1 123 ALA H 5.500 . 6.500 4.648 3.404 4.985 . 0 0 "[ . 1]" 1
1340 1 108 PRO HA 1 123 ALA H 4.500 . 4.500 3.944 3.638 4.211 . 0 0 "[ . 1]" 1
1341 1 107 ILE MD 1 123 ALA H 7.000 . 8.000 3.540 1.975 5.461 . 0 0 "[ . 1]" 1
1342 1 123 ALA HA 1 124 LEU QB 4.500 . 5.200 4.340 4.020 4.631 . 0 0 "[ . 1]" 1
1343 1 25 TYR QD 1 123 ALA HA 7.000 . 9.500 5.947 4.374 7.770 . 0 0 "[ . 1]" 1
1344 1 23 GLU QB 1 123 ALA HA 7.000 . 7.700 5.745 5.219 6.186 . 0 0 "[ . 1]" 1
1345 1 123 ALA MB 1 124 LEU H 4.200 . 5.200 2.966 2.575 3.167 . 0 0 "[ . 1]" 1
1346 1 122 ILE HA 1 123 ALA MB 4.500 . 5.500 3.871 3.769 3.934 . 0 0 "[ . 1]" 1
1347 1 24 THR MG 1 123 ALA MB 5.500 . 7.500 2.260 1.758 3.025 . 0 0 "[ . 1]" 1
1348 1 22 LEU H 1 123 ALA MB 5.500 . 6.500 4.368 3.822 4.853 . 0 0 "[ . 1]" 1
1349 1 21 ILE HA 1 123 ALA MB 7.000 . 8.000 3.960 3.475 4.309 . 0 0 "[ . 1]" 1
1350 1 21 ILE HB 1 123 ALA MB 5.500 . 6.500 3.772 2.687 4.917 . 0 0 "[ . 1]" 1
1351 1 21 ILE MG 1 123 ALA MB 5.500 . 7.500 2.720 1.652 4.271 . 0 0 "[ . 1]" 1
1352 1 21 ILE MD 1 123 ALA MB 5.500 . 7.500 2.865 1.786 4.795 . 0 0 "[ . 1]" 1
1353 1 124 LEU H 1 124 LEU QB 3.600 . 4.300 2.454 2.195 2.729 . 0 0 "[ . 1]" 1
1354 1 124 LEU H 1 124 LEU HG 4.200 . 4.200 3.426 2.010 4.212 0.012 5 0 "[ . 1]" 1
1355 1 124 LEU H 1 124 LEU QD 4.200 . 6.200 2.562 1.944 3.743 . 0 0 "[ . 1]" 1
1356 1 124 LEU H 1 125 ALA H 7.000 . 7.000 4.446 4.423 4.498 . 0 0 "[ . 1]" 1
1357 1 123 ALA HA 1 124 LEU H 3.200 . 3.200 2.188 2.137 2.326 . 0 0 "[ . 1]" 1
1358 1 25 TYR QD 1 124 LEU H 7.000 . 9.500 5.929 5.016 7.900 . 0 0 "[ . 1]" 1
1359 1 23 GLU QG 1 124 LEU H 7.000 . 7.700 5.416 4.018 6.162 . 0 0 "[ . 1]" 1
1360 1 22 LEU H 1 124 LEU H 7.000 . 7.000 3.817 3.407 4.203 . 0 0 "[ . 1]" 1
1361 1 106 ILE HA 1 124 LEU QB 7.000 . 7.700 3.969 2.895 4.618 . 0 0 "[ . 1]" 1
1362 1 104 TYR QD 1 124 LEU QB 7.000 . 10.200 3.450 2.036 4.719 . 0 0 "[ . 1]" 1
1363 1 23 GLU H 1 124 LEU QB 5.500 . 6.200 2.888 2.309 4.310 . 0 0 "[ . 1]" 1
1364 1 23 GLU QB 1 124 LEU QB 5.500 . 6.900 3.483 2.914 4.593 . 0 0 "[ . 1]" 1
1365 1 104 TYR QD 1 124 LEU HG 7.000 . 9.500 5.106 2.175 7.240 . 0 0 "[ . 1]" 1
1366 1 104 TYR QD 1 124 LEU QD 5.500 . 10.000 3.730 1.987 4.873 . 0 0 "[ . 1]" 1
1367 1 23 GLU H 1 124 LEU QD 7.000 . 9.000 3.446 2.490 4.028 . 0 0 "[ . 1]" 1
1368 1 23 GLU QG 1 124 LEU QD 5.500 . 8.200 3.567 1.895 4.893 . 0 0 "[ . 1]" 1
1369 1 124 LEU HA 1 125 ALA H 3.600 . 3.600 2.160 2.148 2.182 . 0 0 "[ . 1]" 1
1370 1 124 LEU QB 1 125 ALA H 5.500 . 6.200 3.270 3.102 3.780 . 0 0 "[ . 1]" 1
1371 1 124 LEU HG 1 125 ALA H 5.500 . 5.500 4.621 3.308 5.314 . 0 0 "[ . 1]" 1
1372 1 124 LEU QD 1 125 ALA H 5.500 . 7.500 3.794 2.634 4.303 . 0 0 "[ . 1]" 1
1373 1 105 THR HB 1 125 ALA H 7.000 . 7.000 4.998 3.646 5.929 . 0 0 "[ . 1]" 1
1374 1 104 TYR QB 1 125 ALA H 7.000 . 7.700 4.316 3.796 4.722 . 0 0 "[ . 1]" 1
1375 1 104 TYR QD 1 125 ALA H 7.000 . 9.500 4.288 3.308 5.999 . 0 0 "[ . 1]" 1
1376 1 19 TYR HA 1 125 ALA H 7.000 . 7.000 6.959 6.601 7.039 0.039 3 0 "[ . 1]" 1
1377 1 104 TYR QD 1 125 ALA HA 7.000 . 9.500 4.157 3.202 6.144 . 0 0 "[ . 1]" 1
1378 1 22 LEU QB 1 125 ALA HA 5.500 . 6.200 3.975 3.438 4.809 . 0 0 "[ . 1]" 1
1379 1 21 ILE MG 1 125 ALA HA 5.500 . 6.500 4.512 3.620 5.370 . 0 0 "[ . 1]" 1
1380 1 21 ILE MD 1 125 ALA HA 7.000 . 8.000 5.525 4.962 5.867 . 0 0 "[ . 1]" 1
1381 1 19 TYR QB 1 125 ALA HA 7.000 . 7.700 4.118 3.403 4.605 . 0 0 "[ . 1]" 1
1382 1 19 TYR QB 1 125 ALA MB 4.200 . 5.900 1.841 1.684 2.161 . 0 0 "[ . 1]" 1
1383 1 19 TYR QD 1 125 ALA MB 3.200 . 6.700 2.825 1.886 3.485 . 0 0 "[ . 1]" 1
1384 1 19 TYR QE 1 125 ALA MB 5.500 . 9.000 4.485 3.207 5.106 . 0 0 "[ . 1]" 1
1385 1 126 LYS H 1 126 LYS QG 4.200 . 4.900 3.577 1.939 4.153 . 0 0 "[ . 1]" 1
1386 1 125 ALA H 1 126 LYS H 7.000 . 7.000 4.480 4.437 4.553 . 0 0 "[ . 1]" 1
1387 1 125 ALA HA 1 126 LYS H 3.200 . 3.200 2.369 2.268 2.493 . 0 0 "[ . 1]" 1
1388 1 125 ALA MB 1 126 LYS H 3.200 . 4.200 2.474 2.163 2.771 . 0 0 "[ . 1]" 1
1389 1 22 LEU QD 1 126 LYS H 5.500 . 7.500 4.259 2.778 5.410 . 0 0 "[ . 1]" 1
1390 1 19 TYR QB 1 126 LYS H 5.500 . 6.200 3.932 2.756 4.861 . 0 0 "[ . 1]" 1
1391 1 19 TYR QD 1 126 LYS H 5.500 . 8.000 4.232 2.766 5.413 . 0 0 "[ . 1]" 1
1392 1 19 TYR QE 1 126 LYS H 7.000 . 9.500 6.147 4.026 7.546 . 0 0 "[ . 1]" 1
1393 1 126 LYS HA 1 126 LYS QG 3.600 . 4.300 2.513 2.056 3.389 . 0 0 "[ . 1]" 1
1394 1 126 LYS HA 1 127 GLY QA 5.500 . 6.200 3.937 3.890 4.056 . 0 0 "[ . 1]" 1
1395 1 125 ALA MB 1 126 LYS HA 4.200 . 5.200 4.082 3.870 4.180 . 0 0 "[ . 1]" 1
1396 1 104 TYR QD 1 126 LYS HA 3.200 . 5.700 3.424 2.052 4.263 . 0 0 "[ . 1]" 1
1397 1 104 TYR QE 1 126 LYS HA 4.500 . 7.000 4.171 3.440 5.212 . 0 0 "[ . 1]" 1
1398 1 126 LYS QB 1 127 GLY H 4.200 . 4.900 3.175 2.147 3.660 . 0 0 "[ . 1]" 1
1399 1 104 TYR HA 1 126 LYS QB 5.500 . 6.200 4.266 2.823 5.112 . 0 0 "[ . 1]" 1
1400 1 104 TYR QD 1 126 LYS QB 4.200 . 7.400 3.329 2.363 4.848 . 0 0 "[ . 1]" 1
1401 1 104 TYR QE 1 126 LYS QB 4.200 . 7.400 2.807 1.982 3.998 . 0 0 "[ . 1]" 1
1402 1 104 TYR QD 1 126 LYS QG 7.000 . 10.200 3.609 3.014 4.850 . 0 0 "[ . 1]" 1
1403 1 104 TYR QE 1 126 LYS QG 7.000 . 10.200 3.226 1.989 4.507 . 0 0 "[ . 1]" 1
1404 1 127 GLY H 1 128 LYS H 7.000 . 7.000 3.901 3.159 4.383 . 0 0 "[ . 1]" 1
1405 1 126 LYS H 1 127 GLY H 5.500 . 5.500 4.508 4.415 4.581 . 0 0 "[ . 1]" 1
1406 1 126 LYS HA 1 127 GLY H 3.200 . 3.200 2.307 2.179 2.537 . 0 0 "[ . 1]" 1
1407 1 126 LYS QG 1 127 GLY H 5.500 . 6.200 2.742 1.957 4.286 . 0 0 "[ . 1]" 1
1408 1 126 LYS QE 1 127 GLY H 7.000 . 7.700 4.225 2.731 5.585 . 0 0 "[ . 1]" 1
1409 1 104 TYR QB 1 127 GLY H 7.000 . 7.700 5.641 4.802 6.314 . 0 0 "[ . 1]" 1
1410 1 104 TYR QD 1 127 GLY H 5.500 . 8.000 4.912 2.430 5.755 . 0 0 "[ . 1]" 1
1411 1 104 TYR QE 1 127 GLY H 7.000 . 9.500 5.354 2.764 6.156 . 0 0 "[ . 1]" 1
1412 1 127 GLY QA 1 128 LYS H . . 4.300 2.304 2.137 2.515 . 0 0 "[ . 1]" 1
1413 1 19 TYR QD 1 127 GLY QA 5.500 . 8.700 3.634 2.042 4.674 . 0 0 "[ . 1]" 1
1414 1 19 TYR QE 1 127 GLY QA 7.000 . 10.200 3.599 1.975 5.646 . 0 0 "[ . 1]" 1
1415 1 128 LYS H 1 129 LYS H 7.000 . 7.000 4.065 2.263 4.618 . 0 0 "[ . 1]" 1
1416 1 20 ASP H 1 128 LYS H 5.500 . 5.500 4.691 3.373 5.508 0.008 7 0 "[ . 1]" 1
1417 1 19 TYR QB 1 128 LYS H 7.000 . 7.700 4.925 3.551 5.823 . 0 0 "[ . 1]" 1
1418 1 19 TYR QD 1 128 LYS H 5.500 . 8.000 3.441 2.607 4.060 . 0 0 "[ . 1]" 1
1419 1 19 TYR QE 1 128 LYS H 7.000 . 9.500 3.866 2.866 5.087 . 0 0 "[ . 1]" 1
1420 1 128 LYS HA 1 129 LYS H 5.500 . 5.500 2.482 2.173 3.557 . 0 0 "[ . 1]" 1
1421 1 129 LYS QB 1 130 LEU H 5.500 . 6.200 3.037 2.013 3.994 . 0 0 "[ . 1]" 1
1422 1 130 LEU HA 1 131 TYR H 5.500 . 5.500 2.583 2.141 3.546 . 0 0 "[ . 1]" 1
1423 1 130 LEU QB 1 131 TYR H 5.500 . 6.200 3.150 2.050 3.796 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 172
_Distance_constraint_stats_list.Viol_count 387
_Distance_constraint_stats_list.Viol_total 97.859
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0253
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 ILE 0.379 0.044 10 0 "[ . 1]"
1 9 ILE 1.730 0.123 6 0 "[ . 1]"
1 14 GLU 0.005 0.005 7 0 "[ . 1]"
1 18 LYS 0.005 0.005 7 0 "[ . 1]"
1 20 ASP 0.089 0.018 1 0 "[ . 1]"
1 23 GLU 0.183 0.032 3 0 "[ . 1]"
1 25 TYR 0.108 0.029 3 0 "[ . 1]"
1 27 ALA 0.157 0.035 6 0 "[ . 1]"
1 28 GLY 0.235 0.051 7 0 "[ . 1]"
1 34 SER 0.063 0.021 4 0 "[ . 1]"
1 35 GLU 0.033 0.011 10 0 "[ . 1]"
1 36 VAL 0.106 0.023 7 0 "[ . 1]"
1 37 LYS 0.336 0.043 2 0 "[ . 1]"
1 38 SER 0.392 0.054 2 0 "[ . 1]"
1 39 LEU 1.104 0.116 10 0 "[ . 1]"
1 40 ARG 0.106 0.023 7 0 "[ . 1]"
1 41 GLU 0.336 0.043 2 0 "[ . 1]"
1 42 LYS 0.329 0.054 2 0 "[ . 1]"
1 43 GLY 1.072 0.116 10 0 "[ . 1]"
1 49 ASP 0.193 0.037 9 0 "[ . 1]"
1 51 PHE 0.086 0.017 9 0 "[ . 1]"
1 53 ARG 0.312 0.070 9 0 "[ . 1]"
1 55 GLU 0.168 0.052 7 0 "[ . 1]"
1 58 GLU 0.168 0.052 7 0 "[ . 1]"
1 59 ALA 0.076 0.020 1 0 "[ . 1]"
1 60 TRP 0.312 0.070 9 0 "[ . 1]"
1 61 LEU 0.030 0.010 3 0 "[ . 1]"
1 62 TYR 0.086 0.017 9 0 "[ . 1]"
1 64 LEU 0.193 0.037 9 0 "[ . 1]"
1 83 ARG 0.030 0.010 3 0 "[ . 1]"
1 85 LEU 0.076 0.020 1 0 "[ . 1]"
1 86 LEU 0.235 0.051 7 0 "[ . 1]"
1 90 ARG 0.015 0.010 5 0 "[ . 1]"
1 91 GLU 0.051 0.019 5 0 "[ . 1]"
1 92 ILE 0.117 0.036 8 0 "[ . 1]"
1 93 MET 0.023 0.014 7 0 "[ . 1]"
1 94 ARG 0.031 0.010 5 0 "[ . 1]"
1 95 LEU 0.357 0.041 7 0 "[ . 1]"
1 96 TYR 0.218 0.036 4 0 "[ . 1]"
1 97 GLY 0.319 0.055 10 0 "[ . 1]"
1 98 LYS 0.679 0.094 5 0 "[ . 1]"
1 99 VAL 0.306 0.041 7 0 "[ . 1]"
1 100 GLN 0.102 0.036 4 0 "[ . 1]"
1 101 GLU 0.296 0.055 10 0 "[ . 1]"
1 102 LYS 0.662 0.094 5 0 "[ . 1]"
1 105 THR 0.118 0.024 9 0 "[ . 1]"
1 107 ILE 0.117 0.026 7 0 "[ . 1]"
1 110 LYS 0.168 0.029 4 0 "[ . 1]"
1 111 LEU 1.730 0.123 6 0 "[ . 1]"
1 112 TYR 1.700 0.102 10 0 "[ . 1]"
1 113 TRP 0.379 0.044 10 0 "[ . 1]"
1 114 LYS 0.406 0.065 5 0 "[ . 1]"
1 117 LYS 0.406 0.065 5 0 "[ . 1]"
1 119 LYS 1.700 0.102 10 0 "[ . 1]"
1 120 VAL 0.157 0.035 6 0 "[ . 1]"
1 121 LEU 0.168 0.029 4 0 "[ . 1]"
1 122 ILE 0.108 0.029 3 0 "[ . 1]"
1 123 ALA 0.117 0.026 7 0 "[ . 1]"
1 124 LEU 0.183 0.032 3 0 "[ . 1]"
1 125 ALA 0.118 0.024 9 0 "[ . 1]"
1 126 LYS 0.089 0.018 1 0 "[ . 1]"
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 49 ASP O 1 64 LEU H 2.150 . 2.400 2.398 2.247 2.437 0.037 9 0 "[ . 1]" 2
2 1 49 ASP C 1 64 LEU N 4.350 4.100 4.600 4.147 4.074 4.263 0.026 9 0 "[ . 1]" 2
3 1 49 ASP O 1 64 LEU N 3.140 2.890 3.390 3.207 3.026 3.312 . 0 0 "[ . 1]" 2
4 1 49 ASP C 1 64 LEU H 3.380 3.130 3.630 3.251 3.137 3.445 . 0 0 "[ . 1]" 2
5 1 51 PHE H 1 62 TYR O 2.150 . 2.400 2.165 1.928 2.406 0.006 6 0 "[ . 1]" 2
6 1 51 PHE N 1 62 TYR C 4.350 4.100 4.600 4.175 4.090 4.452 0.010 8 0 "[ . 1]" 2
7 1 51 PHE N 1 62 TYR O 3.140 2.890 3.390 2.965 2.873 3.224 0.017 9 0 "[ . 1]" 2
8 1 51 PHE H 1 62 TYR C 3.380 3.130 3.630 3.337 3.157 3.615 . 0 0 "[ . 1]" 2
9 1 51 PHE O 1 62 TYR H 2.150 . 2.400 2.118 1.980 2.403 0.003 6 0 "[ . 1]" 2
10 1 51 PHE C 1 62 TYR N 4.350 4.100 4.600 4.191 4.089 4.551 0.011 10 0 "[ . 1]" 2
11 1 51 PHE O 1 62 TYR N 3.140 2.890 3.390 2.994 2.900 3.337 . 0 0 "[ . 1]" 2
12 1 51 PHE C 1 62 TYR H 3.380 3.130 3.630 3.277 3.158 3.599 . 0 0 "[ . 1]" 2
13 1 53 ARG H 1 60 TRP O 2.150 . 2.400 2.370 2.153 2.424 0.024 8 0 "[ . 1]" 2
14 1 53 ARG N 1 60 TRP C 4.350 4.100 4.600 4.181 4.078 4.298 0.022 3 0 "[ . 1]" 2
15 1 53 ARG N 1 60 TRP O 3.140 2.890 3.390 3.114 2.879 3.213 0.011 3 0 "[ . 1]" 2
16 1 53 ARG H 1 60 TRP C 3.380 3.130 3.630 3.341 3.240 3.465 . 0 0 "[ . 1]" 2
17 1 53 ARG O 1 60 TRP H 2.150 . 2.400 2.365 2.230 2.417 0.017 9 0 "[ . 1]" 2
18 1 53 ARG C 1 60 TRP N 4.350 4.100 4.600 4.103 4.030 4.262 0.070 9 0 "[ . 1]" 2
19 1 53 ARG O 1 60 TRP N 3.140 2.890 3.390 3.127 3.017 3.198 . 0 0 "[ . 1]" 2
20 1 53 ARG C 1 60 TRP H 3.380 3.130 3.630 3.225 3.158 3.377 . 0 0 "[ . 1]" 2
21 1 55 GLU O 1 58 GLU H 2.150 . 2.400 2.363 2.206 2.452 0.052 7 0 "[ . 1]" 2
22 1 55 GLU C 1 58 GLU N 4.350 4.100 4.600 4.323 4.256 4.433 . 0 0 "[ . 1]" 2
23 1 55 GLU O 1 58 GLU N 3.140 2.890 3.390 3.132 3.047 3.263 . 0 0 "[ . 1]" 2
24 1 55 GLU C 1 58 GLU H 3.380 3.130 3.630 3.538 3.418 3.623 . 0 0 "[ . 1]" 2
25 1 105 THR H 1 125 ALA O 2.150 . 2.400 2.304 2.050 2.418 0.018 4 0 "[ . 1]" 2
26 1 105 THR N 1 125 ALA C 4.350 4.100 4.600 4.423 4.213 4.583 . 0 0 "[ . 1]" 2
27 1 105 THR N 1 125 ALA O 3.140 2.890 3.390 3.237 2.998 3.361 . 0 0 "[ . 1]" 2
28 1 105 THR H 1 125 ALA C 3.380 3.130 3.630 3.468 3.252 3.620 . 0 0 "[ . 1]" 2
29 1 105 THR O 1 125 ALA H 2.150 . 2.400 2.365 2.186 2.424 0.024 9 0 "[ . 1]" 2
30 1 105 THR C 1 125 ALA N 4.350 4.100 4.600 4.353 4.087 4.437 0.013 2 0 "[ . 1]" 2
31 1 105 THR O 1 125 ALA N 3.140 2.890 3.390 3.209 2.991 3.289 . 0 0 "[ . 1]" 2
32 1 105 THR C 1 125 ALA H 3.380 3.130 3.630 3.456 3.287 3.517 . 0 0 "[ . 1]" 2
33 1 107 ILE H 1 123 ALA O 2.150 . 2.400 2.399 2.312 2.426 0.026 7 0 "[ . 1]" 2
34 1 107 ILE N 1 123 ALA C 4.350 4.100 4.600 4.433 4.284 4.602 0.002 3 0 "[ . 1]" 2
35 1 107 ILE N 1 123 ALA O 3.140 2.890 3.390 3.349 3.261 3.388 . 0 0 "[ . 1]" 2
36 1 107 ILE H 1 123 ALA C 3.380 3.130 3.630 3.458 3.307 3.635 0.005 3 0 "[ . 1]" 2
37 1 107 ILE O 1 123 ALA H 2.150 . 2.400 2.269 2.083 2.419 0.019 3 0 "[ . 1]" 2
38 1 107 ILE C 1 123 ALA N 4.350 4.100 4.600 4.357 4.123 4.588 . 0 0 "[ . 1]" 2
39 1 107 ILE O 1 123 ALA N 3.140 2.890 3.390 3.144 2.896 3.371 . 0 0 "[ . 1]" 2
40 1 107 ILE C 1 123 ALA H 3.380 3.130 3.630 3.471 3.299 3.633 0.003 3 0 "[ . 1]" 2
41 1 110 LYS O 1 121 LEU H 2.150 . 2.400 2.414 2.371 2.429 0.029 4 0 "[ . 1]" 2
42 1 110 LYS C 1 121 LEU N 4.350 4.100 4.600 4.209 4.150 4.340 . 0 0 "[ . 1]" 2
43 1 110 LYS O 1 121 LEU N 3.140 2.890 3.390 3.336 3.287 3.392 0.002 10 0 "[ . 1]" 2
44 1 110 LYS C 1 121 LEU H 3.380 3.130 3.630 3.237 3.182 3.373 . 0 0 "[ . 1]" 2
45 1 112 TYR H 1 119 LYS O 2.150 . 2.400 2.465 2.416 2.502 0.102 10 0 "[ . 1]" 2
46 1 112 TYR N 1 119 LYS C 4.350 4.100 4.600 4.311 4.280 4.350 . 0 0 "[ . 1]" 2
47 1 112 TYR N 1 119 LYS O 3.140 2.890 3.390 3.255 3.166 3.321 . 0 0 "[ . 1]" 2
48 1 112 TYR H 1 119 LYS C 3.380 3.130 3.630 3.578 3.549 3.634 0.004 10 0 "[ . 1]" 2
49 1 112 TYR O 1 119 LYS H 2.150 . 2.400 2.121 2.040 2.258 . 0 0 "[ . 1]" 2
50 1 112 TYR C 1 119 LYS N 4.350 4.100 4.600 4.030 4.009 4.058 0.091 3 0 "[ . 1]" 2
51 1 112 TYR O 1 119 LYS N 3.140 2.890 3.390 3.042 2.956 3.185 . 0 0 "[ . 1]" 2
52 1 112 TYR C 1 119 LYS H 3.380 3.130 3.630 3.095 3.070 3.118 0.060 10 0 "[ . 1]" 2
53 1 114 LYS H 1 117 LYS O 2.150 . 2.400 2.329 2.267 2.421 0.021 6 0 "[ . 1]" 2
54 1 114 LYS N 1 117 LYS C 4.350 4.100 4.600 4.079 4.035 4.162 0.065 5 0 "[ . 1]" 2
55 1 114 LYS N 1 117 LYS O 3.140 2.890 3.390 2.986 2.957 3.043 . 0 0 "[ . 1]" 2
56 1 114 LYS H 1 117 LYS C 3.380 3.130 3.630 3.524 3.454 3.630 . 0 0 "[ . 1]" 2
57 1 114 LYS O 1 117 LYS H 2.150 . 2.400 2.408 2.372 2.422 0.022 5 0 "[ . 1]" 2
58 1 114 LYS C 1 117 LYS N 4.350 4.100 4.600 4.200 4.191 4.212 . 0 0 "[ . 1]" 2
59 1 114 LYS O 1 117 LYS N 3.140 2.890 3.390 3.331 3.308 3.347 . 0 0 "[ . 1]" 2
60 1 114 LYS C 1 117 LYS H 3.380 3.130 3.630 3.385 3.357 3.418 . 0 0 "[ . 1]" 2
61 1 20 ASP O 1 126 LYS H 2.150 . 2.400 2.379 2.266 2.418 0.018 1 0 "[ . 1]" 2
62 1 20 ASP C 1 126 LYS N 4.350 4.100 4.600 4.341 4.244 4.432 . 0 0 "[ . 1]" 2
63 1 20 ASP O 1 126 LYS N 3.140 2.890 3.390 3.230 3.111 3.293 . 0 0 "[ . 1]" 2
64 1 20 ASP C 1 126 LYS H 3.380 3.130 3.630 3.448 3.324 3.546 . 0 0 "[ . 1]" 2
65 1 23 GLU O 1 124 LEU H 2.150 . 2.400 1.979 1.907 2.053 . 0 0 "[ . 1]" 2
66 1 23 GLU C 1 124 LEU N 4.350 4.100 4.600 4.093 4.077 4.109 0.023 3 0 "[ . 1]" 2
67 1 23 GLU O 1 124 LEU N 3.140 2.890 3.390 2.888 2.858 2.937 0.032 3 0 "[ . 1]" 2
68 1 23 GLU C 1 124 LEU H 3.380 3.130 3.630 3.164 3.126 3.221 0.004 4 0 "[ . 1]" 2
69 1 25 TYR H 1 122 ILE O 2.150 . 2.400 2.169 2.056 2.346 . 0 0 "[ . 1]" 2
70 1 25 TYR N 1 122 ILE C 4.350 4.100 4.600 4.180 4.092 4.341 0.008 4 0 "[ . 1]" 2
71 1 25 TYR N 1 122 ILE O 3.140 2.890 3.390 3.080 2.930 3.214 . 0 0 "[ . 1]" 2
72 1 25 TYR H 1 122 ILE C 3.380 3.130 3.630 3.226 3.125 3.372 0.005 4 0 "[ . 1]" 2
73 1 25 TYR O 1 122 ILE H 2.150 . 2.400 2.376 2.274 2.429 0.029 3 0 "[ . 1]" 2
74 1 25 TYR C 1 122 ILE N 4.350 4.100 4.600 4.433 4.371 4.582 . 0 0 "[ . 1]" 2
75 1 25 TYR O 1 122 ILE N 3.140 2.890 3.390 3.342 3.253 3.390 0.000 3 0 "[ . 1]" 2
76 1 25 TYR C 1 122 ILE H 3.380 3.130 3.630 3.472 3.405 3.631 0.001 3 0 "[ . 1]" 2
77 1 27 ALA H 1 120 VAL O 2.150 . 2.400 2.337 2.165 2.410 0.010 6 0 "[ . 1]" 2
78 1 27 ALA N 1 120 VAL C 4.350 4.100 4.600 4.443 4.313 4.537 . 0 0 "[ . 1]" 2
79 1 27 ALA N 1 120 VAL O 3.140 2.890 3.390 3.279 3.128 3.372 . 0 0 "[ . 1]" 2
80 1 27 ALA H 1 120 VAL C 3.380 3.130 3.630 3.491 3.364 3.567 . 0 0 "[ . 1]" 2
81 1 27 ALA O 1 120 VAL H 2.150 . 2.400 2.053 1.924 2.278 . 0 0 "[ . 1]" 2
82 1 27 ALA C 1 120 VAL N 4.350 4.100 4.600 4.125 4.065 4.428 0.035 6 0 "[ . 1]" 2
83 1 27 ALA O 1 120 VAL N 3.140 2.890 3.390 2.972 2.887 3.244 0.003 5 0 "[ . 1]" 2
84 1 27 ALA C 1 120 VAL H 3.380 3.130 3.630 3.179 3.122 3.469 0.008 10 0 "[ . 1]" 2
85 1 7 ILE O 1 113 TRP H 2.150 . 2.400 2.431 2.418 2.444 0.044 10 0 "[ . 1]" 2
86 1 7 ILE C 1 113 TRP N 4.350 4.100 4.600 4.394 4.312 4.470 . 0 0 "[ . 1]" 2
87 1 7 ILE O 1 113 TRP N 3.140 2.890 3.390 3.182 3.118 3.242 . 0 0 "[ . 1]" 2
88 1 7 ILE C 1 113 TRP H 3.380 3.130 3.630 3.629 3.564 3.654 0.024 3 0 "[ . 1]" 2
89 1 9 ILE O 1 111 LEU H 2.150 . 2.400 2.494 2.441 2.523 0.123 6 0 "[ . 1]" 2
90 1 9 ILE C 1 111 LEU N 4.350 4.100 4.600 4.022 4.000 4.056 0.100 4 0 "[ . 1]" 2
91 1 9 ILE O 1 111 LEU N 3.140 2.890 3.390 3.175 2.931 3.285 . 0 0 "[ . 1]" 2
92 1 9 ILE C 1 111 LEU H 3.380 3.130 3.630 3.237 3.182 3.400 . 0 0 "[ . 1]" 2
93 1 61 LEU O 1 83 ARG H 2.150 . 2.400 2.209 1.955 2.410 0.010 1 0 "[ . 1]" 2
94 1 61 LEU C 1 83 ARG N 4.350 4.100 4.600 4.352 4.104 4.548 . 0 0 "[ . 1]" 2
95 1 61 LEU O 1 83 ARG N 3.140 2.890 3.390 3.182 2.924 3.389 . 0 0 "[ . 1]" 2
96 1 61 LEU C 1 83 ARG H 3.380 3.130 3.630 3.386 3.124 3.578 0.006 9 0 "[ . 1]" 2
97 1 61 LEU H 1 83 ARG O 2.150 . 2.400 2.219 2.119 2.410 0.010 3 0 "[ . 1]" 2
98 1 61 LEU N 1 83 ARG C 4.350 4.100 4.600 4.355 4.249 4.514 . 0 0 "[ . 1]" 2
99 1 61 LEU N 1 83 ARG O 3.140 2.890 3.390 3.184 3.077 3.374 . 0 0 "[ . 1]" 2
100 1 61 LEU H 1 83 ARG C 3.380 3.130 3.630 3.404 3.290 3.571 . 0 0 "[ . 1]" 2
101 1 59 ALA O 1 85 LEU H 2.150 . 2.400 2.358 2.123 2.420 0.020 1 0 "[ . 1]" 2
102 1 59 ALA C 1 85 LEU N 4.350 4.100 4.600 4.341 4.133 4.494 . 0 0 "[ . 1]" 2
103 1 59 ALA O 1 85 LEU N 3.140 2.890 3.390 3.135 2.937 3.287 . 0 0 "[ . 1]" 2
104 1 59 ALA C 1 85 LEU H 3.380 3.130 3.630 3.514 3.312 3.606 . 0 0 "[ . 1]" 2
105 1 28 GLY O 1 86 LEU H 2.150 . 2.400 2.240 2.173 2.348 . 0 0 "[ . 1]" 2
106 1 28 GLY C 1 86 LEU N 4.350 4.100 4.600 4.077 4.049 4.103 0.051 7 0 "[ . 1]" 2
107 1 28 GLY O 1 86 LEU N 3.140 2.890 3.390 3.096 2.984 3.142 . 0 0 "[ . 1]" 2
108 1 28 GLY C 1 86 LEU H 3.380 3.130 3.630 3.241 3.128 3.397 0.002 6 0 "[ . 1]" 2
109 1 14 GLU O 1 18 LYS H 2.150 . 2.400 2.177 1.981 2.405 0.005 7 0 "[ . 1]" 2
110 1 14 GLU C 1 18 LYS N 4.350 4.100 4.600 4.324 4.129 4.512 . 0 0 "[ . 1]" 2
111 1 14 GLU O 1 18 LYS N 3.140 2.890 3.390 3.117 2.901 3.338 . 0 0 "[ . 1]" 2
112 1 14 GLU C 1 18 LYS H 3.380 3.130 3.630 3.384 3.193 3.592 . 0 0 "[ . 1]" 2
113 1 34 SER O 1 38 SER H 2.150 . 2.400 2.115 1.921 2.416 0.016 6 0 "[ . 1]" 2
114 1 34 SER C 1 38 SER N 4.350 4.100 4.600 4.183 4.092 4.463 0.008 7 0 "[ . 1]" 2
115 1 34 SER O 1 38 SER N 3.140 2.890 3.390 3.047 2.869 3.380 0.021 4 0 "[ . 1]" 2
116 1 34 SER C 1 38 SER H 3.380 3.130 3.630 3.226 3.131 3.490 . 0 0 "[ . 1]" 2
117 1 35 GLU O 1 39 LEU H 2.150 . 2.400 2.095 1.986 2.403 0.003 1 0 "[ . 1]" 2
118 1 35 GLU C 1 39 LEU N 4.350 4.100 4.600 4.232 4.096 4.567 0.004 10 0 "[ . 1]" 2
119 1 35 GLU O 1 39 LEU N 3.140 2.890 3.390 3.058 2.944 3.365 . 0 0 "[ . 1]" 2
120 1 35 GLU C 1 39 LEU H 3.380 3.130 3.630 3.257 3.119 3.601 0.011 10 0 "[ . 1]" 2
121 1 36 VAL O 1 40 ARG H 2.150 . 2.400 2.082 1.921 2.149 . 0 0 "[ . 1]" 2
122 1 36 VAL C 1 40 ARG N 4.350 4.100 4.600 4.102 4.077 4.146 0.023 7 0 "[ . 1]" 2
123 1 36 VAL O 1 40 ARG N 3.140 2.890 3.390 2.999 2.885 3.056 0.005 1 0 "[ . 1]" 2
124 1 36 VAL C 1 40 ARG H 3.380 3.130 3.630 3.142 3.111 3.182 0.019 1 0 "[ . 1]" 2
125 1 37 LYS O 1 41 GLU H 2.150 . 2.400 1.937 1.909 1.981 . 0 0 "[ . 1]" 2
126 1 37 LYS C 1 41 GLU N 4.350 4.100 4.600 4.096 4.063 4.134 0.037 2 0 "[ . 1]" 2
127 1 37 LYS O 1 41 GLU N 3.140 2.890 3.390 2.910 2.877 2.955 0.013 2 0 "[ . 1]" 2
128 1 37 LYS C 1 41 GLU H 3.380 3.130 3.630 3.120 3.087 3.158 0.043 2 0 "[ . 1]" 2
129 1 38 SER O 1 42 LYS H 2.150 . 2.400 2.365 2.091 2.454 0.054 2 0 "[ . 1]" 2
130 1 38 SER C 1 42 LYS N 4.350 4.100 4.600 4.421 4.097 4.577 0.003 4 0 "[ . 1]" 2
131 1 38 SER O 1 42 LYS N 3.140 2.890 3.390 3.317 3.000 3.424 0.034 2 0 "[ . 1]" 2
132 1 38 SER C 1 42 LYS H 3.380 3.130 3.630 3.473 3.151 3.634 0.004 2 0 "[ . 1]" 2
133 1 39 LEU O 1 43 GLY H 2.150 . 2.400 2.417 2.230 2.479 0.079 10 0 "[ . 1]" 2
134 1 39 LEU C 1 43 GLY N 4.350 4.100 4.600 4.036 3.984 4.085 0.116 10 0 "[ . 1]" 2
135 1 39 LEU O 1 43 GLY N 3.140 2.890 3.390 3.133 2.892 3.346 . 0 0 "[ . 1]" 2
136 1 39 LEU C 1 43 GLY H 3.380 3.130 3.630 3.389 3.272 3.560 . 0 0 "[ . 1]" 2
137 1 90 ARG O 1 94 ARG H 2.150 . 2.400 2.199 2.045 2.410 0.010 5 0 "[ . 1]" 2
138 1 90 ARG C 1 94 ARG N 4.350 4.100 4.600 4.350 4.194 4.553 . 0 0 "[ . 1]" 2
139 1 90 ARG O 1 94 ARG N 3.140 2.890 3.390 3.159 3.016 3.378 . 0 0 "[ . 1]" 2
140 1 90 ARG C 1 94 ARG H 3.380 3.130 3.630 3.390 3.215 3.613 . 0 0 "[ . 1]" 2
141 1 91 GLU O 1 95 LEU H 2.150 . 2.400 1.968 1.918 2.009 . 0 0 "[ . 1]" 2
142 1 91 GLU C 1 95 LEU N 4.350 4.100 4.600 4.129 4.092 4.175 0.008 5 0 "[ . 1]" 2
143 1 91 GLU O 1 95 LEU N 3.140 2.890 3.390 2.925 2.871 2.984 0.019 5 0 "[ . 1]" 2
144 1 91 GLU C 1 95 LEU H 3.380 3.130 3.630 3.165 3.123 3.201 0.007 7 0 "[ . 1]" 2
145 1 92 ILE O 1 96 TYR H 2.150 . 2.400 2.023 1.936 2.249 . 0 0 "[ . 1]" 2
146 1 92 ILE C 1 96 TYR N 4.350 4.100 4.600 4.167 4.064 4.393 0.036 8 0 "[ . 1]" 2
147 1 92 ILE O 1 96 TYR N 3.140 2.890 3.390 2.981 2.859 3.215 0.031 8 0 "[ . 1]" 2
148 1 92 ILE C 1 96 TYR H 3.380 3.130 3.630 3.199 3.115 3.418 0.015 5 0 "[ . 1]" 2
149 1 93 MET O 1 97 GLY H 2.150 . 2.400 2.195 1.904 2.409 0.009 4 0 "[ . 1]" 2
150 1 93 MET C 1 97 GLY N 4.350 4.100 4.600 4.331 4.102 4.515 . 0 0 "[ . 1]" 2
151 1 93 MET O 1 97 GLY N 3.140 2.890 3.390 3.144 2.876 3.329 0.014 7 0 "[ . 1]" 2
152 1 93 MET C 1 97 GLY H 3.380 3.130 3.630 3.381 3.133 3.616 . 0 0 "[ . 1]" 2
153 1 94 ARG O 1 98 LYS H 2.150 . 2.400 2.200 1.976 2.346 . 0 0 "[ . 1]" 2
154 1 94 ARG C 1 98 LYS N 4.350 4.100 4.600 4.254 4.091 4.473 0.009 7 0 "[ . 1]" 2
155 1 94 ARG O 1 98 LYS N 3.140 2.890 3.390 3.054 2.893 3.278 . 0 0 "[ . 1]" 2
156 1 94 ARG C 1 98 LYS H 3.380 3.130 3.630 3.374 3.127 3.574 0.003 7 0 "[ . 1]" 2
157 1 95 LEU O 1 99 VAL H 2.150 . 2.400 2.188 1.943 2.368 . 0 0 "[ . 1]" 2
158 1 95 LEU C 1 99 VAL N 4.350 4.100 4.600 4.074 4.059 4.099 0.041 7 0 "[ . 1]" 2
159 1 95 LEU O 1 99 VAL N 3.140 2.890 3.390 2.936 2.871 3.019 0.019 3 0 "[ . 1]" 2
160 1 95 LEU C 1 99 VAL H 3.380 3.130 3.630 3.233 3.156 3.326 . 0 0 "[ . 1]" 2
161 1 96 TYR O 1 100 GLN H 2.150 . 2.400 2.305 2.059 2.436 0.036 4 0 "[ . 1]" 2
162 1 96 TYR C 1 100 GLN N 4.350 4.100 4.600 4.139 4.077 4.318 0.023 2 0 "[ . 1]" 2
163 1 96 TYR O 1 100 GLN N 3.140 2.890 3.390 3.079 2.973 3.216 . 0 0 "[ . 1]" 2
164 1 96 TYR C 1 100 GLN H 3.380 3.130 3.630 3.267 3.133 3.460 . 0 0 "[ . 1]" 2
165 1 97 GLY O 1 101 GLU H 2.150 . 2.400 2.231 2.033 2.420 0.020 8 0 "[ . 1]" 2
166 1 97 GLY C 1 101 GLU N 4.350 4.100 4.600 4.081 4.045 4.153 0.055 10 0 "[ . 1]" 2
167 1 97 GLY O 1 101 GLU N 3.140 2.890 3.390 2.966 2.883 3.097 0.007 4 0 "[ . 1]" 2
168 1 97 GLY C 1 101 GLU H 3.380 3.130 3.630 3.247 3.129 3.352 0.001 3 0 "[ . 1]" 2
169 1 98 LYS O 1 102 LYS H 2.150 . 2.400 2.198 2.082 2.404 0.004 8 0 "[ . 1]" 2
170 1 98 LYS C 1 102 LYS N 4.350 4.100 4.600 4.035 4.006 4.058 0.094 5 0 "[ . 1]" 2
171 1 98 LYS O 1 102 LYS N 3.140 2.890 3.390 2.953 2.886 3.099 0.004 7 0 "[ . 1]" 2
172 1 98 LYS C 1 102 LYS H 3.380 3.130 3.630 3.163 3.138 3.207 . 0 0 "[ . 1]" 2
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