NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437560 |
2k31   |
15734 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k31
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 1969
_Distance_constraint_stats_list.Viol_count 3258
_Distance_constraint_stats_list.Viol_total 2958.229
_Distance_constraint_stats_list.Viol_max 0.283
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0454
_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 2 ASP 0.161 0.050 9 0 "[ . 1 . 2]"
1 3 VAL 0.183 0.050 9 0 "[ . 1 . 2]"
1 4 THR 0.003 0.003 11 0 "[ . 1 . 2]"
1 5 ALA 1.080 0.073 7 0 "[ . 1 . 2]"
1 6 LEU 2.861 0.134 5 0 "[ . 1 . 2]"
1 7 CYS 1.392 0.053 7 0 "[ . 1 . 2]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 2.561 0.142 5 0 "[ . 1 . 2]"
1 10 ILE 6.113 0.204 14 0 "[ . 1 . 2]"
1 11 PHE 5.213 0.204 14 0 "[ . 1 . 2]"
1 12 LEU 1.374 0.102 18 0 "[ . 1 . 2]"
1 13 HIS 0.083 0.038 10 0 "[ . 1 . 2]"
1 14 ILE 2.173 0.079 2 0 "[ . 1 . 2]"
1 15 HIS 1.143 0.066 20 0 "[ . 1 . 2]"
1 16 GLY 2.321 0.088 2 0 "[ . 1 . 2]"
1 17 LEU 1.434 0.049 6 0 "[ . 1 . 2]"
1 18 ILE 1.873 0.063 18 0 "[ . 1 . 2]"
1 19 SER 0.854 0.049 6 0 "[ . 1 . 2]"
1 20 ALA 1.043 0.088 2 0 "[ . 1 . 2]"
1 21 ASP 0.146 0.016 11 0 "[ . 1 . 2]"
1 22 ARG 1.318 0.092 7 0 "[ . 1 . 2]"
1 23 TYR 1.996 0.063 18 0 "[ . 1 . 2]"
1 24 SER 2.961 0.110 18 0 "[ . 1 . 2]"
1 25 LEU 2.260 0.146 1 0 "[ . 1 . 2]"
1 26 PHE 5.821 0.255 3 0 "[ . 1 . 2]"
1 27 LEU 2.162 0.114 18 0 "[ . 1 . 2]"
1 28 VAL 1.150 0.064 11 0 "[ . 1 . 2]"
1 29 CYS 1.856 0.078 13 0 "[ . 1 . 2]"
1 30 GLU 7.375 0.283 5 0 "[ . 1 . 2]"
1 31 ASP 0.118 0.016 11 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.987 0.090 2 0 "[ . 1 . 2]"
1 34 LYS 1.615 0.169 14 0 "[ . 1 . 2]"
1 35 ASP 5.942 0.173 5 0 "[ . 1 . 2]"
1 36 LYS 13.469 0.283 5 0 "[ . 1 . 2]"
1 37 PHE 3.696 0.100 13 0 "[ . 1 . 2]"
1 38 LEU 8.661 0.163 8 0 "[ . 1 . 2]"
1 39 ILE 3.904 0.113 14 0 "[ . 1 . 2]"
1 40 SER 2.265 0.112 11 0 "[ . 1 . 2]"
1 41 ARG 0.176 0.030 18 0 "[ . 1 . 2]"
1 42 LEU 3.891 0.146 1 0 "[ . 1 . 2]"
1 43 PHE 3.199 0.093 8 0 "[ . 1 . 2]"
1 44 ASP 0.913 0.059 4 0 "[ . 1 . 2]"
1 45 VAL 0.947 0.058 7 0 "[ . 1 . 2]"
1 46 ALA 1.293 0.058 15 0 "[ . 1 . 2]"
1 47 GLU 0.682 0.066 20 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.704 0.039 15 0 "[ . 1 . 2]"
1 50 THR 1.405 0.134 7 0 "[ . 1 . 2]"
1 51 LEU 6.025 0.131 4 0 "[ . 1 . 2]"
1 52 GLU 2.781 0.131 4 0 "[ . 1 . 2]"
1 53 GLU 0.904 0.117 19 0 "[ . 1 . 2]"
1 54 ALA 1.062 0.080 15 0 "[ . 1 . 2]"
1 55 SER 0.021 0.021 5 0 "[ . 1 . 2]"
1 56 ASN 0.949 0.045 17 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.226 0.046 6 0 "[ . 1 . 2]"
1 59 ILE 8.695 0.255 3 0 "[ . 1 . 2]"
1 60 ARG 1.670 0.113 14 0 "[ . 1 . 2]"
1 61 LEU 7.276 0.196 14 0 "[ . 1 . 2]"
1 62 GLU 5.052 0.123 1 0 "[ . 1 . 2]"
1 63 TRP 4.472 0.125 17 0 "[ . 1 . 2]"
1 64 ASN 0.112 0.053 2 0 "[ . 1 . 2]"
1 65 LYS 4.669 0.135 11 0 "[ . 1 . 2]"
1 66 GLY 1.010 0.051 1 0 "[ . 1 . 2]"
1 67 ILE 5.431 0.143 8 0 "[ . 1 . 2]"
1 68 VAL 5.496 0.154 11 0 "[ . 1 . 2]"
1 69 GLY 7.620 0.177 2 0 "[ . 1 . 2]"
1 70 HIS 0.039 0.025 10 0 "[ . 1 . 2]"
1 71 VAL 3.068 0.120 7 0 "[ . 1 . 2]"
1 72 ALA 5.157 0.177 2 0 "[ . 1 . 2]"
1 73 ALA 1.997 0.152 13 0 "[ . 1 . 2]"
1 74 PHE 0.160 0.027 1 0 "[ . 1 . 2]"
1 75 GLY 0.007 0.004 18 0 "[ . 1 . 2]"
1 76 GLU 0.176 0.027 1 0 "[ . 1 . 2]"
1 77 PRO 2.349 0.113 11 0 "[ . 1 . 2]"
1 78 LEU 2.112 0.113 11 0 "[ . 1 . 2]"
1 79 ASN 0.013 0.013 13 0 "[ . 1 . 2]"
1 80 ILE 4.485 0.219 13 0 "[ . 1 . 2]"
1 81 LYS 1.217 0.086 4 0 "[ . 1 . 2]"
1 82 ASP 0.687 0.084 10 0 "[ . 1 . 2]"
1 83 ALA 0.289 0.054 12 0 "[ . 1 . 2]"
1 84 TYR 3.771 0.107 10 0 "[ . 1 . 2]"
1 85 GLU 0.286 0.044 9 0 "[ . 1 . 2]"
1 86 ASP 0.244 0.027 20 0 "[ . 1 . 2]"
1 87 PRO 0.566 0.051 15 0 "[ . 1 . 2]"
1 88 ARG 0.715 0.057 7 0 "[ . 1 . 2]"
1 89 PHE 0.803 0.051 15 0 "[ . 1 . 2]"
1 90 ASN 2.071 0.117 8 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 3.896 0.137 15 0 "[ . 1 . 2]"
1 93 VAL 1.904 0.099 19 0 "[ . 1 . 2]"
1 94 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLN 2.134 0.117 9 0 "[ . 1 . 2]"
1 96 ILE 0.497 0.034 15 0 "[ . 1 . 2]"
1 97 THR 5.991 0.162 15 0 "[ . 1 . 2]"
1 98 GLY 0.310 0.025 5 0 "[ . 1 . 2]"
1 99 TYR 0.783 0.062 13 0 "[ . 1 . 2]"
1 100 LYS 0.014 0.013 4 0 "[ . 1 . 2]"
1 101 THR 0.708 0.084 10 0 "[ . 1 . 2]"
1 102 GLN 0.786 0.052 15 0 "[ . 1 . 2]"
1 103 SER 0.855 0.052 15 0 "[ . 1 . 2]"
1 104 ILE 4.449 0.219 13 0 "[ . 1 . 2]"
1 105 LEU 1.599 0.158 19 0 "[ . 1 . 2]"
1 106 CYS 0.367 0.085 17 0 "[ . 1 . 2]"
1 107 MET 2.831 0.121 10 0 "[ . 1 . 2]"
1 108 PRO 1.918 0.154 11 0 "[ . 1 . 2]"
1 109 ILE 4.014 0.125 3 0 "[ . 1 . 2]"
1 110 LYS 2.576 0.111 13 0 "[ . 1 . 2]"
1 111 ASN 0.375 0.041 13 0 "[ . 1 . 2]"
1 112 HIS 0.002 0.002 6 0 "[ . 1 . 2]"
1 113 ARG 0.341 0.038 17 0 "[ . 1 . 2]"
1 114 GLU 1.969 0.111 13 0 "[ . 1 . 2]"
1 115 GLU 0.348 0.038 17 0 "[ . 1 . 2]"
1 116 VAL 1.205 0.108 17 0 "[ . 1 . 2]"
1 117 VAL 1.360 0.081 20 0 "[ . 1 . 2]"
1 118 GLY 0.124 0.035 1 0 "[ . 1 . 2]"
1 119 VAL 0.522 0.061 13 0 "[ . 1 . 2]"
1 120 ALA 1.579 0.125 3 0 "[ . 1 . 2]"
1 121 GLN 1.360 0.096 13 0 "[ . 1 . 2]"
1 122 ALA 2.630 0.121 10 0 "[ . 1 . 2]"
1 123 ILE 6.281 0.110 12 0 "[ . 1 . 2]"
1 124 ASN 0.146 0.016 11 0 "[ . 1 . 2]"
1 125 LYS 1.457 0.094 11 0 "[ . 1 . 2]"
1 126 LYS 0.663 0.050 5 0 "[ . 1 . 2]"
1 127 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 THR 1.544 0.086 4 0 "[ . 1 . 2]"
1 133 PHE 0.080 0.041 3 0 "[ . 1 . 2]"
1 134 THR 0.215 0.027 12 0 "[ . 1 . 2]"
1 135 GLU 0.225 0.021 6 0 "[ . 1 . 2]"
1 136 LYS 0.600 0.053 4 0 "[ . 1 . 2]"
1 137 ASP 0.441 0.053 4 0 "[ . 1 . 2]"
1 138 GLU 0.025 0.014 19 0 "[ . 1 . 2]"
1 139 LYS 0.991 0.056 11 0 "[ . 1 . 2]"
1 140 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 PHE 0.839 0.056 18 0 "[ . 1 . 2]"
1 142 ALA 1.332 0.063 18 0 "[ . 1 . 2]"
1 143 GLU 1.658 0.058 11 0 "[ . 1 . 2]"
1 144 TYR 0.801 0.044 11 0 "[ . 1 . 2]"
1 145 LEU 3.253 0.113 13 0 "[ . 1 . 2]"
1 146 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 PHE 0.626 0.056 20 0 "[ . 1 . 2]"
1 148 CYS 0.530 0.054 13 0 "[ . 1 . 2]"
1 149 GLY 2.536 0.113 13 0 "[ . 1 . 2]"
1 150 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 LEU HA 1 120 ALA HA 4.500 . 4.500 3.006 2.378 3.468 . 0 0 "[ . 1 . 2]" 1
2 1 11 PHE QE 1 120 ALA HA 5.500 . 5.500 5.334 4.852 5.525 0.025 4 0 "[ . 1 . 2]" 1
3 1 25 LEU HA 1 120 ALA MB 4.500 . 4.500 4.060 3.558 4.504 0.004 14 0 "[ . 1 . 2]" 1
4 1 107 MET HG2 1 120 ALA MB 5.500 . 5.500 4.500 2.464 4.946 . 0 0 "[ . 1 . 2]" 1
5 1 107 MET HG3 1 120 ALA MB 5.500 . 5.500 4.362 3.494 4.730 . 0 0 "[ . 1 . 2]" 1
6 1 120 ALA MB 1 145 LEU HB3 5.500 . 5.500 4.022 3.741 4.336 . 0 0 "[ . 1 . 2]" 1
7 1 6 LEU MD2 1 9 LYS HG2 4.500 . 4.500 3.008 2.946 3.735 . 0 0 "[ . 1 . 2]" 1
8 1 109 ILE MD 1 120 ALA MB 3.500 . 3.500 2.140 2.002 2.235 . 0 0 "[ . 1 . 2]" 1
9 1 23 TYR HA 1 122 ALA HA 4.500 . 4.500 2.541 2.329 2.797 . 0 0 "[ . 1 . 2]" 1
10 1 23 TYR QD 1 122 ALA HA 4.500 . 4.500 3.823 3.378 4.124 . 0 0 "[ . 1 . 2]" 1
11 1 20 ALA MB 1 122 ALA MB 3.500 . 3.500 2.932 2.696 3.106 . 0 0 "[ . 1 . 2]" 1
12 1 23 TYR QD 1 122 ALA MB 4.500 . 4.500 2.496 2.205 3.164 . 0 0 "[ . 1 . 2]" 1
13 1 72 ALA MB 1 73 ALA HA 5.500 . 5.500 3.889 3.839 3.921 . 0 0 "[ . 1 . 2]" 1
14 1 73 ALA HA 1 74 PHE QD 5.500 . 5.500 5.212 5.175 5.253 . 0 0 "[ . 1 . 2]" 1
15 1 72 ALA MB 1 73 ALA MB 5.500 . 5.500 3.674 3.577 3.804 . 0 0 "[ . 1 . 2]" 1
16 1 89 PHE QD 1 91 ALA HA 5.500 . 5.500 3.746 3.386 3.936 . 0 0 "[ . 1 . 2]" 1
17 1 90 ASN HA 1 91 ALA HA 5.500 . 5.500 4.390 4.379 4.406 . 0 0 "[ . 1 . 2]" 1
18 1 91 ALA HA 1 94 ASP HA 5.500 . 5.500 5.373 5.160 5.460 . 0 0 "[ . 1 . 2]" 1
19 1 90 ASN HA 1 91 ALA MB 5.500 . 5.500 3.960 3.939 3.986 . 0 0 "[ . 1 . 2]" 1
20 1 91 ALA MB 1 92 GLU HA 4.500 . 4.500 4.090 4.032 4.114 . 0 0 "[ . 1 . 2]" 1
21 1 20 ALA MB 1 23 TYR QD 4.500 . 4.500 3.508 2.644 3.886 . 0 0 "[ . 1 . 2]" 1
22 1 16 GLY H 1 20 ALA MB 5.500 . 5.500 5.542 5.298 5.588 0.088 2 0 "[ . 1 . 2]" 1
23 1 18 ILE MD 1 20 ALA MB 3.500 . 3.500 2.051 1.983 2.140 . 0 0 "[ . 1 . 2]" 1
24 1 18 ILE HG13 1 20 ALA MB 5.500 . 5.500 4.117 4.027 4.255 . 0 0 "[ . 1 . 2]" 1
25 1 18 ILE HG12 1 20 ALA MB 5.500 . 5.500 4.432 4.310 4.547 . 0 0 "[ . 1 . 2]" 1
26 1 63 TRP HH2 1 72 ALA MB 4.500 . 4.500 2.674 2.272 3.009 . 0 0 "[ . 1 . 2]" 1
27 1 63 TRP HZ2 1 72 ALA MB 5.500 . 5.500 3.391 3.067 3.753 . 0 0 "[ . 1 . 2]" 1
28 1 69 GLY HA3 1 72 ALA MB 3.500 . 3.500 3.644 3.626 3.677 0.177 2 0 "[ . 1 . 2]" 1
29 1 67 ILE MD 1 83 ALA HA 4.500 . 4.500 4.015 3.528 4.444 . 0 0 "[ . 1 . 2]" 1
30 1 83 ALA HA 1 86 ASP HB2 5.500 . 5.500 2.644 2.339 4.897 . 0 0 "[ . 1 . 2]" 1
31 1 83 ALA HA 1 86 ASP HB3 5.500 . 5.500 3.583 3.136 3.994 . 0 0 "[ . 1 . 2]" 1
32 1 67 ILE MG 1 83 ALA MB 4.500 . 4.500 2.254 1.983 2.617 . 0 0 "[ . 1 . 2]" 1
33 1 80 ILE MG 1 83 ALA MB 4.500 . 4.500 2.202 2.128 2.298 . 0 0 "[ . 1 . 2]" 1
34 1 67 ILE MD 1 83 ALA MB 3.500 . 3.500 2.250 2.058 2.570 . 0 0 "[ . 1 . 2]" 1
35 1 80 ILE HG12 1 83 ALA MB 5.500 . 5.500 4.713 4.435 4.975 . 0 0 "[ . 1 . 2]" 1
36 1 83 ALA MB 1 104 ILE HB 5.500 . 5.500 3.879 3.347 4.001 . 0 0 "[ . 1 . 2]" 1
37 1 83 ALA MB 1 104 ILE HG13 5.500 . 5.500 4.151 3.662 5.116 . 0 0 "[ . 1 . 2]" 1
38 1 83 ALA MB 1 84 TYR QD 5.500 . 5.500 3.545 2.598 3.933 . 0 0 "[ . 1 . 2]" 1
39 1 51 LEU HA 1 54 ALA MB 4.500 . 4.500 2.681 2.270 3.451 . 0 0 "[ . 1 . 2]" 1
40 1 45 VAL HB 1 54 ALA MB 5.500 . 5.500 5.287 4.661 5.510 0.010 2 0 "[ . 1 . 2]" 1
41 1 23 TYR QD 1 46 ALA HA 5.500 . 5.500 4.446 4.257 4.945 . 0 0 "[ . 1 . 2]" 1
42 1 45 VAL MG1 1 46 ALA HA 5.500 . 5.500 3.937 3.759 4.151 . 0 0 "[ . 1 . 2]" 1
43 1 22 ARG HA 1 46 ALA MB 5.500 . 5.500 4.301 3.265 4.816 . 0 0 "[ . 1 . 2]" 1
44 1 23 TYR QD 1 46 ALA MB 5.500 . 5.500 5.539 5.521 5.558 0.058 15 0 "[ . 1 . 2]" 1
45 1 45 VAL HA 1 46 ALA MB 5.500 . 5.500 3.987 3.937 4.047 . 0 0 "[ . 1 . 2]" 1
46 1 22 ARG HD3 1 46 ALA MB 4.500 . 4.500 3.357 2.634 4.004 . 0 0 "[ . 1 . 2]" 1
47 1 5 ALA HA 1 51 LEU HA 5.500 . 5.500 5.482 5.211 5.545 0.045 2 0 "[ . 1 . 2]" 1
48 1 5 ALA HA 1 51 LEU MD1 4.500 . 4.500 3.096 2.000 4.418 . 0 0 "[ . 1 . 2]" 1
49 1 5 ALA MB 1 51 LEU MD2 4.500 . 4.500 3.038 2.244 4.528 0.028 14 0 "[ . 1 . 2]" 1
50 1 5 ALA MB 1 51 LEU MD1 4.500 . 4.500 4.016 2.863 4.545 0.045 19 0 "[ . 1 . 2]" 1
51 1 2 ASP HB3 1 5 ALA MB 4.500 . 4.500 3.119 2.104 4.525 0.025 9 0 "[ . 1 . 2]" 1
52 1 2 ASP HB2 1 5 ALA MB 4.500 . 4.500 3.095 2.316 4.374 . 0 0 "[ . 1 . 2]" 1
53 1 3 VAL HA 1 5 ALA MB 5.500 . 5.500 5.048 4.247 5.538 0.038 14 0 "[ . 1 . 2]" 1
54 1 143 GLU HA 1 146 ALA MB 4.500 . 4.500 2.793 2.581 2.883 . 0 0 "[ . 1 . 2]" 1
55 1 143 GLU HB3 1 146 ALA MB 5.500 . 5.500 4.584 4.436 4.680 . 0 0 "[ . 1 . 2]" 1
56 1 142 ALA HA 1 145 LEU HB2 4.500 . 4.500 3.207 3.025 3.680 . 0 0 "[ . 1 . 2]" 1
57 1 142 ALA HA 1 145 LEU MD1 5.500 . 5.500 2.257 2.113 2.294 . 0 0 "[ . 1 . 2]" 1
58 1 142 ALA HA 1 145 LEU HA 5.500 . 5.500 5.542 5.511 5.563 0.063 18 0 "[ . 1 . 2]" 1
59 1 139 LYS HA 1 142 ALA MB 3.500 . 3.500 3.434 3.329 3.510 0.010 12 0 "[ . 1 . 2]" 1
60 1 141 PHE QD 1 142 ALA MB 5.500 . 5.500 5.365 5.262 5.447 . 0 0 "[ . 1 . 2]" 1
61 1 142 ALA MB 1 143 GLU HG3 4.500 . 4.500 3.712 3.623 3.787 . 0 0 "[ . 1 . 2]" 1
62 1 142 ALA MB 1 143 GLU HG2 4.500 . 4.500 4.515 4.507 4.523 0.023 8 0 "[ . 1 . 2]" 1
63 1 39 ILE MG 1 41 ARG HA 4.500 . 4.500 4.032 3.838 4.476 . 0 0 "[ . 1 . 2]" 1
64 1 41 ARG HA 1 41 ARG HD3 4.500 . 4.500 3.411 2.329 4.061 . 0 0 "[ . 1 . 2]" 1
65 1 41 ARG HA 1 41 ARG HD2 4.500 . 4.500 2.990 2.350 4.002 . 0 0 "[ . 1 . 2]" 1
66 1 39 ILE MG 1 41 ARG HD3 5.500 . 5.500 5.023 4.000 5.517 0.017 1 0 "[ . 1 . 2]" 1
67 1 30 GLU HB2 1 36 LYS HG3 5.500 . 5.500 3.952 3.587 4.004 . 0 0 "[ . 1 . 2]" 1
68 1 37 PHE QD 1 60 ARG HA 5.500 . 5.500 5.472 5.200 5.538 0.038 13 0 "[ . 1 . 2]" 1
69 1 39 ILE HB 1 60 ARG HA 5.500 . 5.500 5.185 5.042 5.425 . 0 0 "[ . 1 . 2]" 1
70 1 39 ILE MG 1 60 ARG HA 4.500 . 4.500 3.710 2.916 4.082 . 0 0 "[ . 1 . 2]" 1
71 1 113 ARG HA 1 113 ARG HD3 5.500 . 5.500 4.617 3.511 4.766 . 0 0 "[ . 1 . 2]" 1
72 1 113 ARG HA 1 113 ARG HD2 5.500 . 5.500 4.356 2.374 4.563 . 0 0 "[ . 1 . 2]" 1
73 1 113 ARG HD3 1 115 GLU HG3 5.500 . 5.500 3.752 2.322 4.849 . 0 0 "[ . 1 . 2]" 1
74 1 113 ARG HD3 1 115 GLU HG2 5.500 . 5.500 4.437 3.207 5.511 0.011 16 0 "[ . 1 . 2]" 1
75 1 113 ARG HD2 1 115 GLU HG3 5.500 . 5.500 3.894 2.488 5.300 . 0 0 "[ . 1 . 2]" 1
76 1 113 ARG HD2 1 115 GLU HG2 5.500 . 5.500 4.731 3.212 5.512 0.012 17 0 "[ . 1 . 2]" 1
77 1 22 ARG HA 1 22 ARG HD3 4.500 . 4.500 2.477 2.353 2.672 . 0 0 "[ . 1 . 2]" 1
78 1 21 ASP HA 1 22 ARG HA 5.500 . 5.500 4.587 4.570 4.607 . 0 0 "[ . 1 . 2]" 1
79 1 22 ARG HA 1 46 ALA HA 5.500 . 5.500 4.188 3.720 4.694 . 0 0 "[ . 1 . 2]" 1
80 1 22 ARG HA 1 23 TYR QD 5.500 . 5.500 3.841 3.388 4.562 . 0 0 "[ . 1 . 2]" 1
81 1 22 ARG HB3 1 44 ASP HA 5.500 . 5.500 3.370 2.584 4.361 . 0 0 "[ . 1 . 2]" 1
82 1 22 ARG HB2 1 44 ASP HA 5.500 . 5.500 4.694 4.330 5.099 . 0 0 "[ . 1 . 2]" 1
83 1 22 ARG HA 1 22 ARG HD2 4.500 . 4.500 3.567 3.318 3.759 . 0 0 "[ . 1 . 2]" 1
84 1 22 ARG HD3 1 44 ASP HA 4.500 . 4.500 3.960 3.355 4.531 0.031 7 0 "[ . 1 . 2]" 1
85 1 22 ARG HD2 1 46 ALA MB 4.500 . 4.500 4.143 3.656 4.504 0.004 12 0 "[ . 1 . 2]" 1
86 1 53 GLU HA 1 56 ASN HB3 5.500 . 5.500 5.111 3.810 5.527 0.027 14 0 "[ . 1 . 2]" 1
87 1 53 GLU HA 1 56 ASN HB2 5.500 . 5.500 3.886 3.172 5.545 0.045 17 0 "[ . 1 . 2]" 1
88 1 21 ASP HB3 1 124 ASN HB3 5.500 . 5.500 4.361 3.372 5.504 0.004 15 0 "[ . 1 . 2]" 1
89 1 21 ASP HB2 1 124 ASN HB3 5.500 . 5.500 3.351 2.540 4.872 . 0 0 "[ . 1 . 2]" 1
90 1 21 ASP HB3 1 124 ASN HB2 5.500 . 5.500 4.689 4.024 5.404 . 0 0 "[ . 1 . 2]" 1
91 1 21 ASP HB2 1 124 ASN HB2 5.500 . 5.500 3.561 3.101 4.043 . 0 0 "[ . 1 . 2]" 1
92 1 111 ASN HA 1 117 VAL MG1 5.500 . 5.500 4.839 3.601 5.522 0.022 10 0 "[ . 1 . 2]" 1
93 1 64 ASN HA 1 73 ALA MB 4.500 . 4.500 3.450 3.100 3.686 . 0 0 "[ . 1 . 2]" 1
94 1 64 ASN HA 1 70 HIS HA 5.500 . 5.500 3.575 3.313 3.835 . 0 0 "[ . 1 . 2]" 1
95 1 79 ASN HA 1 105 LEU HA 4.500 . 4.500 2.822 2.497 3.285 . 0 0 "[ . 1 . 2]" 1
96 1 2 ASP HA 1 3 VAL HA 5.500 . 5.500 4.428 4.324 4.624 . 0 0 "[ . 1 . 2]" 1
97 1 18 ILE MG 1 140 ASP HA 5.500 . 5.500 5.097 4.701 5.494 . 0 0 "[ . 1 . 2]" 1
98 1 43 PHE QD 1 44 ASP HB3 5.500 . 5.500 4.667 3.580 5.203 . 0 0 "[ . 1 . 2]" 1
99 1 43 PHE QE 1 44 ASP HB3 5.500 . 5.500 5.099 3.855 5.556 0.056 8 0 "[ . 1 . 2]" 1
100 1 43 PHE QD 1 44 ASP HB2 5.500 . 5.500 4.007 3.299 5.281 . 0 0 "[ . 1 . 2]" 1
101 1 86 ASP HA 1 87 PRO HG2 5.500 . 5.500 4.562 4.435 4.682 . 0 0 "[ . 1 . 2]" 1
102 1 80 ILE MD 1 86 ASP HB2 5.500 . 5.500 4.694 4.314 4.984 . 0 0 "[ . 1 . 2]" 1
103 1 31 ASP HA 1 37 PHE QE 5.500 . 5.500 4.488 4.100 4.772 . 0 0 "[ . 1 . 2]" 1
104 1 31 ASP HB3 1 37 PHE QE 5.500 . 5.500 4.301 3.723 4.878 . 0 0 "[ . 1 . 2]" 1
105 1 31 ASP HB2 1 37 PHE QE 5.500 . 5.500 2.943 2.341 3.724 . 0 0 "[ . 1 . 2]" 1
106 1 35 ASP HA 1 36 LYS HA 5.500 . 5.500 4.353 4.344 4.364 . 0 0 "[ . 1 . 2]" 1
107 1 35 ASP HB3 1 36 LYS HA 5.500 . 5.500 4.345 4.296 4.410 . 0 0 "[ . 1 . 2]" 1
108 1 35 ASP HB2 1 36 LYS HA 5.500 . 5.500 5.636 5.617 5.649 0.149 14 0 "[ . 1 . 2]" 1
109 1 35 ASP HB2 1 37 PHE QD 5.500 . 5.500 5.393 5.194 5.524 0.024 12 0 "[ . 1 . 2]" 1
110 1 33 SER HB3 1 35 ASP HB3 5.500 . 5.500 5.521 5.514 5.526 0.026 14 0 "[ . 1 . 2]" 1
111 1 29 CYS HA 1 30 GLU HA 5.500 . 5.500 4.408 4.400 4.423 . 0 0 "[ . 1 . 2]" 1
112 1 29 CYS HB3 1 30 GLU HA 5.500 . 5.500 4.345 4.265 4.394 . 0 0 "[ . 1 . 2]" 1
113 1 29 CYS HB3 1 36 LYS HA 5.500 . 5.500 5.517 5.445 5.535 0.035 13 0 "[ . 1 . 2]" 1
114 1 29 CYS HB2 1 30 GLU HA 5.500 . 5.500 4.867 4.835 4.958 . 0 0 "[ . 1 . 2]" 1
115 1 29 CYS HB3 1 39 ILE HB 5.500 . 5.500 5.359 4.716 5.535 0.035 5 0 "[ . 1 . 2]" 1
116 1 29 CYS HB3 1 39 ILE MD 5.500 . 5.500 3.818 2.928 4.332 . 0 0 "[ . 1 . 2]" 1
117 1 29 CYS HB2 1 37 PHE QE 4.500 . 4.500 3.734 3.003 4.235 . 0 0 "[ . 1 . 2]" 1
118 1 29 CYS HB3 1 37 PHE QE 5.500 . 5.500 3.499 2.314 3.953 . 0 0 "[ . 1 . 2]" 1
119 1 102 GLN HA 1 102 GLN HG3 3.500 . 3.500 2.318 2.265 2.384 . 0 0 "[ . 1 . 2]" 1
120 1 102 GLN HA 1 102 GLN HG2 3.500 . 3.500 3.355 3.318 3.412 . 0 0 "[ . 1 . 2]" 1
121 1 102 GLN HG3 1 103 SER HA 5.500 . 5.500 5.539 5.529 5.552 0.052 15 0 "[ . 1 . 2]" 1
122 1 102 GLN HG2 1 103 SER HA 5.500 . 5.500 5.155 4.977 5.313 . 0 0 "[ . 1 . 2]" 1
123 1 95 GLN HA 1 95 GLN HG2 4.500 . 4.500 2.614 2.379 2.718 . 0 0 "[ . 1 . 2]" 1
124 1 95 GLN HA 1 95 GLN HG3 4.500 . 4.500 3.479 2.976 3.730 . 0 0 "[ . 1 . 2]" 1
125 1 92 GLU HA 1 95 GLN HG3 4.500 . 4.500 3.009 2.841 3.099 . 0 0 "[ . 1 . 2]" 1
126 1 92 GLU HA 1 95 GLN HG2 4.500 . 4.500 3.854 3.358 4.517 0.017 14 0 "[ . 1 . 2]" 1
127 1 91 ALA MB 1 95 GLN HG3 5.500 . 5.500 4.433 3.790 5.025 . 0 0 "[ . 1 . 2]" 1
128 1 91 ALA MB 1 95 GLN HG2 5.500 . 5.500 4.290 3.814 4.889 . 0 0 "[ . 1 . 2]" 1
129 1 37 PHE HA 1 62 GLU HA 5.500 . 5.500 2.823 2.591 2.986 . 0 0 "[ . 1 . 2]" 1
130 1 37 PHE QD 1 62 GLU HA 5.500 . 5.500 5.084 4.710 5.277 . 0 0 "[ . 1 . 2]" 1
131 1 62 GLU HG3 1 65 LYS HG3 5.500 . 5.500 4.163 3.030 5.596 0.096 1 0 "[ . 1 . 2]" 1
132 1 62 GLU HG2 1 65 LYS HG3 5.500 . 5.500 4.914 4.120 5.623 0.123 1 0 "[ . 1 . 2]" 1
133 1 61 LEU HA 1 62 GLU HG3 5.500 . 5.500 5.321 3.848 5.557 0.057 19 0 "[ . 1 . 2]" 1
134 1 61 LEU HA 1 62 GLU HG2 5.500 . 5.500 3.824 3.633 5.507 0.007 1 0 "[ . 1 . 2]" 1
135 1 30 GLU HB2 1 34 LYS HA 5.500 . 5.500 5.321 4.507 5.510 0.010 15 0 "[ . 1 . 2]" 1
136 1 30 GLU HB2 1 36 LYS HG2 5.500 . 5.500 5.497 5.292 5.523 0.023 10 0 "[ . 1 . 2]" 1
137 1 30 GLU HB3 1 36 LYS HG2 5.500 . 5.500 3.767 3.585 3.794 . 0 0 "[ . 1 . 2]" 1
138 1 30 GLU HB2 1 36 LYS HB3 5.500 . 5.500 5.300 5.047 5.508 0.008 13 0 "[ . 1 . 2]" 1
139 1 30 GLU HB2 1 36 LYS HD2 5.500 . 5.500 5.362 5.049 5.607 0.107 13 0 "[ . 1 . 2]" 1
140 1 30 GLU HB3 1 36 LYS HD2 5.500 . 5.500 3.769 3.594 4.039 . 0 0 "[ . 1 . 2]" 1
141 1 30 GLU HA 1 36 LYS HB2 5.500 . 5.500 3.636 3.488 3.839 . 0 0 "[ . 1 . 2]" 1
142 1 29 CYS HB3 1 30 GLU HG3 5.500 . 5.500 5.513 5.199 5.534 0.034 3 0 "[ . 1 . 2]" 1
143 1 29 CYS HB3 1 30 GLU HG2 5.500 . 5.500 5.529 5.520 5.578 0.078 13 0 "[ . 1 . 2]" 1
144 1 30 GLU HG2 1 36 LYS HG3 4.500 . 4.500 3.140 2.474 3.198 . 0 0 "[ . 1 . 2]" 1
145 1 30 GLU HG3 1 36 LYS HG3 4.500 . 4.500 4.466 3.734 4.524 0.024 15 0 "[ . 1 . 2]" 1
146 1 30 GLU HG2 1 36 LYS HD2 5.500 . 5.500 3.820 3.747 4.292 . 0 0 "[ . 1 . 2]" 1
147 1 46 ALA MB 1 47 GLU HA 5.500 . 5.500 4.300 4.282 4.320 . 0 0 "[ . 1 . 2]" 1
148 1 46 ALA HA 1 47 GLU HA 5.500 . 5.500 4.329 4.310 4.346 . 0 0 "[ . 1 . 2]" 1
149 1 15 HIS HD1 1 47 GLU HB3 5.500 . 5.500 4.949 3.861 5.566 0.066 20 0 "[ . 1 . 2]" 1
150 1 15 HIS HD1 1 47 GLU HB2 5.500 . 5.500 4.602 3.815 5.537 0.037 13 0 "[ . 1 . 2]" 1
151 1 76 GLU HA 1 77 PRO HD2 4.500 . 4.500 3.241 2.981 3.362 . 0 0 "[ . 1 . 2]" 1
152 1 76 GLU HA 1 77 PRO HD3 3.500 . 3.500 2.070 2.043 2.102 . 0 0 "[ . 1 . 2]" 1
153 1 76 GLU HB2 1 77 PRO HD3 4.500 . 4.500 3.916 2.835 4.509 0.009 19 0 "[ . 1 . 2]" 1
154 1 76 GLU HG2 1 77 PRO HD3 5.500 . 5.500 4.183 3.398 5.322 . 0 0 "[ . 1 . 2]" 1
155 1 76 GLU HG3 1 77 PRO HD2 5.500 . 5.500 4.919 4.354 5.268 . 0 0 "[ . 1 . 2]" 1
156 1 76 GLU HG3 1 77 PRO HD3 5.500 . 5.500 4.792 4.615 5.153 . 0 0 "[ . 1 . 2]" 1
157 1 76 GLU HG2 1 77 PRO HD2 5.500 . 5.500 4.616 3.980 5.361 . 0 0 "[ . 1 . 2]" 1
158 1 74 PHE HB3 1 76 GLU HG3 5.500 . 5.500 3.525 2.937 4.322 . 0 0 "[ . 1 . 2]" 1
159 1 74 PHE HB3 1 76 GLU HG2 5.500 . 5.500 3.944 2.586 4.930 . 0 0 "[ . 1 . 2]" 1
160 1 74 PHE HB2 1 76 GLU HG3 5.500 . 5.500 4.144 3.790 5.018 . 0 0 "[ . 1 . 2]" 1
161 1 74 PHE HB2 1 76 GLU HG2 5.500 . 5.500 4.613 2.663 5.527 0.027 1 0 "[ . 1 . 2]" 1
162 1 50 THR HB 1 52 GLU HB3 5.500 . 5.500 5.067 4.100 5.500 . 0 0 "[ . 1 . 2]" 1
163 1 50 THR HB 1 52 GLU HB2 5.500 . 5.500 5.155 4.083 5.518 0.018 12 0 "[ . 1 . 2]" 1
164 1 51 LEU HG 1 52 GLU HA 5.500 . 5.500 4.961 4.447 5.615 0.115 19 0 "[ . 1 . 2]" 1
165 1 52 GLU HA 1 52 GLU HG3 3.500 . 3.500 2.449 2.428 2.469 . 0 0 "[ . 1 . 2]" 1
166 1 52 GLU HA 1 52 GLU HG2 3.500 . 3.500 2.797 2.740 2.819 . 0 0 "[ . 1 . 2]" 1
167 1 92 GLU HA 1 95 GLN HA 5.500 . 5.500 5.602 5.576 5.617 0.117 9 0 "[ . 1 . 2]" 1
168 1 92 GLU HA 1 92 GLU HG3 3.500 . 3.500 3.019 2.840 3.637 0.137 15 0 "[ . 1 . 2]" 1
169 1 110 LYS HD3 1 114 GLU HA 4.500 . 4.500 2.540 2.329 3.996 . 0 0 "[ . 1 . 2]" 1
170 1 110 LYS HD2 1 114 GLU HB3 5.500 . 5.500 4.873 4.460 5.512 0.012 17 0 "[ . 1 . 2]" 1
171 1 110 LYS HD2 1 114 GLU HB2 5.500 . 5.500 5.100 4.675 5.542 0.042 20 0 "[ . 1 . 2]" 1
172 1 142 ALA MB 1 143 GLU HA 5.500 . 5.500 3.913 3.885 3.930 . 0 0 "[ . 1 . 2]" 1
173 1 105 LEU MD2 1 138 GLU HA 4.500 . 4.500 3.255 2.660 4.511 0.011 10 0 "[ . 1 . 2]" 1
174 1 138 GLU HA 1 141 PHE QD 5.500 . 5.500 3.566 3.082 3.892 . 0 0 "[ . 1 . 2]" 1
175 1 53 GLU HA 1 54 ALA HA 5.500 . 5.500 4.652 4.605 4.688 . 0 0 "[ . 1 . 2]" 1
176 1 50 THR MG 1 53 GLU HG3 5.500 . 5.500 3.692 2.055 5.514 0.014 5 0 "[ . 1 . 2]" 1
177 1 113 ARG HA 1 113 ARG HG2 4.500 . 4.500 2.985 2.731 3.735 . 0 0 "[ . 1 . 2]" 1
178 1 113 ARG HA 1 113 ARG HG3 4.500 . 4.500 2.421 2.297 2.649 . 0 0 "[ . 1 . 2]" 1
179 1 109 ILE MG 1 149 GLY HA3 4.500 . 4.500 2.702 2.456 2.833 . 0 0 "[ . 1 . 2]" 1
180 1 109 ILE MG 1 149 GLY HA2 4.500 . 4.500 2.319 2.044 2.553 . 0 0 "[ . 1 . 2]" 1
181 1 145 LEU HB2 1 149 GLY HA3 5.500 . 5.500 5.012 4.405 5.231 . 0 0 "[ . 1 . 2]" 1
182 1 145 LEU HB2 1 149 GLY HA2 5.500 . 5.500 5.590 5.553 5.613 0.113 13 0 "[ . 1 . 2]" 1
183 1 69 GLY HA2 1 72 ALA MB 5.500 . 5.500 2.150 2.096 2.190 . 0 0 "[ . 1 . 2]" 1
184 1 66 GLY HA3 1 90 ASN HB3 5.500 . 5.500 4.926 4.801 5.042 . 0 0 "[ . 1 . 2]" 1
185 1 66 GLY HA2 1 90 ASN HB2 5.500 . 5.500 3.843 3.709 4.063 . 0 0 "[ . 1 . 2]" 1
186 1 66 GLY HA3 1 90 ASN HB2 5.500 . 5.500 3.330 3.140 3.507 . 0 0 "[ . 1 . 2]" 1
187 1 117 VAL MG2 1 118 GLY HA2 5.500 . 5.500 4.218 4.152 4.308 . 0 0 "[ . 1 . 2]" 1
188 1 117 VAL MG2 1 118 GLY HA3 5.500 . 5.500 3.427 3.315 3.591 . 0 0 "[ . 1 . 2]" 1
189 1 14 ILE MD 1 15 HIS HA 5.500 . 5.500 4.677 4.499 4.838 . 0 0 "[ . 1 . 2]" 1
190 1 70 HIS HA 1 73 ALA MB 4.500 . 4.500 3.090 2.882 3.237 . 0 0 "[ . 1 . 2]" 1
191 1 70 HIS HA 1 73 ALA H 5.500 . 5.500 3.655 3.456 3.783 . 0 0 "[ . 1 . 2]" 1
192 1 70 HIS HA 1 74 PHE QE 5.500 . 5.500 4.040 3.657 4.599 . 0 0 "[ . 1 . 2]" 1
193 1 83 ALA MB 1 84 TYR HA 5.500 . 5.500 3.768 3.659 3.840 . 0 0 "[ . 1 . 2]" 1
194 1 39 ILE HA 1 60 ARG HA 4.500 . 4.500 2.507 2.271 2.760 . 0 0 "[ . 1 . 2]" 1
195 1 37 PHE QD 1 39 ILE HA 5.500 . 5.500 5.165 4.948 5.326 . 0 0 "[ . 1 . 2]" 1
196 1 38 LEU HB2 1 39 ILE HA 5.500 . 5.500 4.666 4.492 4.862 . 0 0 "[ . 1 . 2]" 1
197 1 37 PHE QD 1 39 ILE HG13 5.500 . 5.500 2.525 2.218 2.839 . 0 0 "[ . 1 . 2]" 1
198 1 37 PHE QD 1 39 ILE HG12 5.500 . 5.500 3.475 2.781 3.945 . 0 0 "[ . 1 . 2]" 1
199 1 96 ILE HG12 1 96 ILE MG 3.500 . 3.500 2.150 2.134 2.169 . 0 0 "[ . 1 . 2]" 1
200 1 39 ILE HA 1 39 ILE MD 4.500 . 4.500 3.867 3.743 3.993 . 0 0 "[ . 1 . 2]" 1
201 1 18 ILE MD 1 141 PHE QE 3.500 . 3.500 2.585 2.273 2.884 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLY H 1 18 ILE MD 5.500 . 5.500 5.270 5.058 5.405 . 0 0 "[ . 1 . 2]" 1
203 1 39 ILE MD 1 60 ARG HA 5.500 . 5.500 4.669 4.506 4.879 . 0 0 "[ . 1 . 2]" 1
204 1 18 ILE MD 1 20 ALA HA 5.500 . 5.500 3.636 3.499 3.751 . 0 0 "[ . 1 . 2]" 1
205 1 14 ILE HA 1 18 ILE MD 4.500 . 4.500 4.516 4.503 4.532 0.032 2 0 "[ . 1 . 2]" 1
206 1 39 ILE HB 1 39 ILE MD 3.500 . 3.500 2.380 2.262 2.618 . 0 0 "[ . 1 . 2]" 1
207 1 39 ILE MG 1 58 CYS HA 5.500 . 5.500 5.344 5.183 5.533 0.033 6 0 "[ . 1 . 2]" 1
208 1 39 ILE MG 1 41 ARG HD2 5.500 . 5.500 4.904 3.768 5.522 0.022 7 0 "[ . 1 . 2]" 1
209 1 39 ILE HG12 1 39 ILE MG 3.500 . 3.500 2.290 2.161 2.590 . 0 0 "[ . 1 . 2]" 1
210 1 39 ILE HG13 1 39 ILE MG 3.500 . 3.500 3.167 3.089 3.216 . 0 0 "[ . 1 . 2]" 1
211 1 80 ILE HA 1 80 ILE MD 3.500 . 3.500 2.102 2.043 2.167 . 0 0 "[ . 1 . 2]" 1
212 1 80 ILE HA 1 132 THR MG 5.500 . 5.500 4.658 3.960 5.272 . 0 0 "[ . 1 . 2]" 1
213 1 80 ILE HB 1 104 ILE MD 4.500 . 4.500 4.549 4.053 4.634 0.134 12 0 "[ . 1 . 2]" 1
214 1 80 ILE HB 1 132 THR MG 5.500 . 5.500 5.315 4.661 5.577 0.077 11 0 "[ . 1 . 2]" 1
215 1 80 ILE HB 1 104 ILE HA 5.500 . 5.500 4.959 4.668 5.242 . 0 0 "[ . 1 . 2]" 1
216 1 80 ILE HA 1 80 ILE HG12 4.500 . 4.500 3.207 3.071 3.315 . 0 0 "[ . 1 . 2]" 1
217 1 80 ILE HA 1 80 ILE MG 3.500 . 3.500 2.561 2.443 2.628 . 0 0 "[ . 1 . 2]" 1
218 1 80 ILE MG 1 82 ASP HA 5.500 . 5.500 3.114 2.896 3.412 . 0 0 "[ . 1 . 2]" 1
219 1 80 ILE MG 1 103 SER HA 5.500 . 5.500 4.132 3.695 4.531 . 0 0 "[ . 1 . 2]" 1
220 1 80 ILE MG 1 83 ALA HA 5.500 . 5.500 2.341 2.187 2.540 . 0 0 "[ . 1 . 2]" 1
221 1 80 ILE HG12 1 80 ILE MG 3.500 . 3.500 3.173 3.155 3.193 . 0 0 "[ . 1 . 2]" 1
222 1 80 ILE MD 1 83 ALA HA 4.500 . 4.500 4.397 3.924 4.514 0.014 4 0 "[ . 1 . 2]" 1
223 1 80 ILE MD 1 86 ASP HB3 5.500 . 5.500 4.879 4.258 5.141 . 0 0 "[ . 1 . 2]" 1
224 1 80 ILE HB 1 80 ILE MD 3.500 . 3.500 3.269 3.260 3.278 . 0 0 "[ . 1 . 2]" 1
225 1 80 ILE MD 1 83 ALA MB 4.500 . 4.500 4.442 4.163 4.554 0.054 12 0 "[ . 1 . 2]" 1
226 1 104 ILE MD 1 123 ILE HA 5.500 . 5.500 3.139 2.793 3.741 . 0 0 "[ . 1 . 2]" 1
227 1 122 ALA MB 1 123 ILE HA 5.500 . 5.500 4.199 4.148 4.249 . 0 0 "[ . 1 . 2]" 1
228 1 99 TYR QE 1 123 ILE HA 5.500 . 5.500 4.693 4.589 4.793 . 0 0 "[ . 1 . 2]" 1
229 1 123 ILE HB 1 123 ILE MD 3.500 . 3.500 3.226 3.187 3.248 . 0 0 "[ . 1 . 2]" 1
230 1 122 ALA MB 1 123 ILE MD 4.500 . 4.500 4.321 4.208 4.521 0.021 19 0 "[ . 1 . 2]" 1
231 1 97 THR HB 1 123 ILE MD 5.500 . 5.500 5.592 5.574 5.610 0.110 12 0 "[ . 1 . 2]" 1
232 1 123 ILE HA 1 123 ILE MD 4.500 . 4.500 3.640 3.578 3.750 . 0 0 "[ . 1 . 2]" 1
233 1 99 TYR QD 1 123 ILE MD 5.500 . 5.500 4.305 4.171 4.450 . 0 0 "[ . 1 . 2]" 1
234 1 123 ILE HA 1 123 ILE MG 3.500 . 3.500 2.233 2.163 2.270 . 0 0 "[ . 1 . 2]" 1
235 1 121 GLN HA 1 123 ILE MG 5.500 . 5.500 5.541 5.479 5.596 0.096 13 0 "[ . 1 . 2]" 1
236 1 99 TYR QE 1 123 ILE MG 5.500 . 5.500 3.712 3.527 3.965 . 0 0 "[ . 1 . 2]" 1
237 1 99 TYR QD 1 123 ILE MG 5.500 . 5.500 3.902 3.626 4.180 . 0 0 "[ . 1 . 2]" 1
238 1 122 ALA HA 1 123 ILE MG 5.500 . 5.500 4.353 4.191 4.524 . 0 0 "[ . 1 . 2]" 1
239 1 104 ILE HG13 1 123 ILE MG 4.500 . 4.500 3.792 2.191 4.168 . 0 0 "[ . 1 . 2]" 1
240 1 123 ILE MD 1 123 ILE MG 3.500 . 3.500 1.909 1.794 1.996 0.006 10 0 "[ . 1 . 2]" 1
241 1 104 ILE HG12 1 123 ILE MG 4.500 . 4.500 3.125 2.100 3.511 . 0 0 "[ . 1 . 2]" 1
242 1 104 ILE MD 1 123 ILE MG 4.500 . 4.500 2.229 2.002 3.138 . 0 0 "[ . 1 . 2]" 1
243 1 123 ILE HG13 1 123 ILE MG 3.500 . 3.500 2.622 2.549 2.732 . 0 0 "[ . 1 . 2]" 1
244 1 123 ILE HG12 1 123 ILE MG 3.500 . 3.500 3.194 3.161 3.211 . 0 0 "[ . 1 . 2]" 1
245 1 59 ILE HA 1 59 ILE HG12 4.500 . 4.500 4.080 3.988 4.195 . 0 0 "[ . 1 . 2]" 1
246 1 26 PHE QD 1 59 ILE HB 5.500 . 5.500 5.020 4.776 5.550 0.050 6 0 "[ . 1 . 2]" 1
247 1 43 PHE QE 1 59 ILE HG13 5.500 . 5.500 3.447 2.930 3.659 . 0 0 "[ . 1 . 2]" 1
248 1 59 ILE HA 1 59 ILE MD 4.500 . 4.500 3.911 3.750 4.008 . 0 0 "[ . 1 . 2]" 1
249 1 59 ILE MD 1 61 LEU HA 5.500 . 5.500 5.541 5.302 5.608 0.108 18 0 "[ . 1 . 2]" 1
250 1 43 PHE QE 1 59 ILE MD 5.500 . 5.500 3.588 3.287 3.973 . 0 0 "[ . 1 . 2]" 1
251 1 26 PHE QD 1 59 ILE MD 4.500 . 4.500 2.292 2.124 2.444 . 0 0 "[ . 1 . 2]" 1
252 1 43 PHE QD 1 59 ILE MD 5.500 . 5.500 3.438 3.119 3.990 . 0 0 "[ . 1 . 2]" 1
253 1 26 PHE QE 1 59 ILE MD 4.500 . 4.500 1.933 1.834 2.049 . 0 0 "[ . 1 . 2]" 1
254 1 58 CYS HA 1 59 ILE MD 5.500 . 5.500 4.996 4.873 5.205 . 0 0 "[ . 1 . 2]" 1
255 1 59 ILE MD 1 61 LEU HB2 5.500 . 5.500 5.360 5.245 5.411 . 0 0 "[ . 1 . 2]" 1
256 1 59 ILE MD 1 93 VAL MG2 4.500 . 4.500 2.855 2.608 3.011 . 0 0 "[ . 1 . 2]" 1
257 1 59 ILE HB 1 59 ILE MD 3.500 . 3.500 2.173 2.126 2.271 . 0 0 "[ . 1 . 2]" 1
258 1 59 ILE MD 1 61 LEU MD2 3.500 . 3.500 1.874 1.836 1.930 . 0 0 "[ . 1 . 2]" 1
259 1 43 PHE QE 1 59 ILE MG 4.500 . 4.500 2.294 2.115 2.473 . 0 0 "[ . 1 . 2]" 1
260 1 43 PHE QD 1 59 ILE MG 4.500 . 4.500 3.489 3.302 3.611 . 0 0 "[ . 1 . 2]" 1
261 1 26 PHE QD 1 59 ILE MG 5.500 . 5.500 5.688 5.649 5.755 0.255 3 0 "[ . 1 . 2]" 1
262 1 26 PHE QE 1 59 ILE MG 5.500 . 5.500 4.968 4.777 5.318 . 0 0 "[ . 1 . 2]" 1
263 1 43 PHE HB3 1 59 ILE MG 5.500 . 5.500 5.519 5.498 5.543 0.043 20 0 "[ . 1 . 2]" 1
264 1 43 PHE HB2 1 59 ILE MG 5.500 . 5.500 4.781 4.710 4.850 . 0 0 "[ . 1 . 2]" 1
265 1 59 ILE MG 1 93 VAL MG2 4.500 . 4.500 2.236 2.055 2.426 . 0 0 "[ . 1 . 2]" 1
266 1 59 ILE MG 1 96 ILE MD 3.500 . 3.500 1.935 1.917 1.970 . 0 0 "[ . 1 . 2]" 1
267 1 59 ILE MD 1 59 ILE MG 3.500 . 3.500 2.919 2.798 3.062 . 0 0 "[ . 1 . 2]" 1
268 1 59 ILE HG13 1 59 ILE MG 3.500 . 3.500 2.798 2.673 2.882 . 0 0 "[ . 1 . 2]" 1
269 1 109 ILE HA 1 109 ILE MG 3.500 . 3.500 2.245 2.192 2.294 . 0 0 "[ . 1 . 2]" 1
270 1 109 ILE HA 1 119 VAL HA 5.500 . 5.500 4.724 4.595 4.904 . 0 0 "[ . 1 . 2]" 1
271 1 109 ILE HB 1 119 VAL HA 5.500 . 5.500 3.907 3.738 4.224 . 0 0 "[ . 1 . 2]" 1
272 1 109 ILE MG 1 119 VAL HA 5.500 . 5.500 4.948 4.864 5.071 . 0 0 "[ . 1 . 2]" 1
273 1 109 ILE MG 1 120 ALA HA 5.500 . 5.500 5.574 5.539 5.625 0.125 3 0 "[ . 1 . 2]" 1
274 1 11 PHE QE 1 109 ILE MG 5.500 . 5.500 5.285 4.914 5.515 0.015 4 0 "[ . 1 . 2]" 1
275 1 109 ILE MG 1 145 LEU MD2 5.500 . 5.500 3.309 2.958 3.874 . 0 0 "[ . 1 . 2]" 1
276 1 109 ILE MG 1 145 LEU MD1 5.500 . 5.500 3.630 3.337 3.885 . 0 0 "[ . 1 . 2]" 1
277 1 109 ILE HA 1 109 ILE MD 4.500 . 4.500 4.018 3.990 4.050 . 0 0 "[ . 1 . 2]" 1
278 1 109 ILE MD 1 149 GLY HA3 5.500 . 5.500 5.471 5.187 5.520 0.020 2 0 "[ . 1 . 2]" 1
279 1 109 ILE MD 1 149 GLY HA2 5.500 . 5.500 4.499 4.162 4.937 . 0 0 "[ . 1 . 2]" 1
280 1 109 ILE HB 1 109 ILE MD 3.500 . 3.500 2.290 2.259 2.334 . 0 0 "[ . 1 . 2]" 1
281 1 109 ILE MD 1 119 VAL HB 5.500 . 5.500 4.605 4.535 4.667 . 0 0 "[ . 1 . 2]" 1
282 1 109 ILE HG13 1 145 LEU MD1 5.500 . 5.500 3.927 3.309 4.463 . 0 0 "[ . 1 . 2]" 1
283 1 109 ILE HG12 1 145 LEU MD1 5.500 . 5.500 2.945 2.375 3.446 . 0 0 "[ . 1 . 2]" 1
284 1 109 ILE HG12 1 145 LEU MD2 5.500 . 5.500 2.761 2.295 3.537 . 0 0 "[ . 1 . 2]" 1
285 1 109 ILE HG13 1 145 LEU MD2 5.500 . 5.500 4.217 3.772 4.881 . 0 0 "[ . 1 . 2]" 1
286 1 104 ILE HA 1 104 ILE MD 4.500 . 4.500 2.648 2.398 3.905 . 0 0 "[ . 1 . 2]" 1
287 1 104 ILE HA 1 123 ILE MG 5.500 . 5.500 3.564 3.263 3.837 . 0 0 "[ . 1 . 2]" 1
288 1 80 ILE HB 1 104 ILE HB 5.500 . 5.500 4.821 4.216 5.068 . 0 0 "[ . 1 . 2]" 1
289 1 104 ILE MD 1 106 CYS HA 4.500 . 4.500 3.402 3.031 3.614 . 0 0 "[ . 1 . 2]" 1
290 1 104 ILE MD 1 121 GLN HA 5.500 . 5.500 2.788 2.518 3.477 . 0 0 "[ . 1 . 2]" 1
291 1 104 ILE MD 1 105 LEU HA 4.500 . 4.500 4.040 3.344 4.658 0.158 19 0 "[ . 1 . 2]" 1
292 1 67 ILE HB 1 67 ILE MD 3.500 . 3.500 2.226 2.159 2.265 . 0 0 "[ . 1 . 2]" 1
293 1 104 ILE HB 1 104 ILE MD 3.500 . 3.500 2.447 2.288 3.284 . 0 0 "[ . 1 . 2]" 1
294 1 83 ALA MB 1 104 ILE MG 3.500 . 3.500 1.911 1.862 1.967 . 0 0 "[ . 1 . 2]" 1
295 1 103 SER HA 1 104 ILE MG 5.500 . 5.500 3.406 3.242 4.017 . 0 0 "[ . 1 . 2]" 1
296 1 83 ALA MB 1 104 ILE HG12 5.500 . 5.500 3.448 2.917 5.031 . 0 0 "[ . 1 . 2]" 1
297 1 18 ILE HA 1 18 ILE MD 4.500 . 4.500 3.798 3.777 3.818 . 0 0 "[ . 1 . 2]" 1
298 1 18 ILE MD 1 18 ILE MG 3.500 . 3.500 3.141 3.118 3.179 . 0 0 "[ . 1 . 2]" 1
299 1 18 ILE MG 1 20 ALA MB 5.500 . 5.500 5.196 5.112 5.297 . 0 0 "[ . 1 . 2]" 1
300 1 18 ILE MG 1 23 TYR QE 5.500 . 5.500 5.546 5.527 5.563 0.063 18 0 "[ . 1 . 2]" 1
301 1 18 ILE MG 1 144 TYR QE 5.500 . 5.500 4.926 4.601 5.180 . 0 0 "[ . 1 . 2]" 1
302 1 17 LEU H 1 18 ILE MG 5.500 . 5.500 4.804 4.769 4.869 . 0 0 "[ . 1 . 2]" 1
303 1 116 VAL HA 1 117 VAL MG1 4.500 . 4.500 3.800 3.738 3.860 . 0 0 "[ . 1 . 2]" 1
304 1 96 ILE HB 1 97 THR MG 5.500 . 5.500 3.913 3.721 4.294 . 0 0 "[ . 1 . 2]" 1
305 1 96 ILE HB 1 96 ILE MD 3.500 . 3.500 2.183 2.169 2.229 . 0 0 "[ . 1 . 2]" 1
306 1 93 VAL HA 1 96 ILE HB 5.500 . 5.500 5.268 5.138 5.470 . 0 0 "[ . 1 . 2]" 1
307 1 96 ILE HG13 1 96 ILE MG 3.500 . 3.500 2.985 2.791 3.063 . 0 0 "[ . 1 . 2]" 1
308 1 93 VAL HA 1 96 ILE MG 4.500 . 4.500 4.384 4.242 4.464 . 0 0 "[ . 1 . 2]" 1
309 1 43 PHE QE 1 96 ILE MG 5.500 . 5.500 5.471 5.349 5.534 0.034 15 0 "[ . 1 . 2]" 1
310 1 96 ILE MG 1 97 THR MG 5.500 . 5.500 4.649 4.545 4.879 . 0 0 "[ . 1 . 2]" 1
311 1 59 ILE MG 1 96 ILE MG 4.500 . 4.500 4.372 4.258 4.455 . 0 0 "[ . 1 . 2]" 1
312 1 96 ILE HA 1 96 ILE MD 4.500 . 4.500 3.999 3.790 4.082 . 0 0 "[ . 1 . 2]" 1
313 1 96 ILE MD 1 97 THR HA 4.500 . 4.500 3.565 3.018 3.822 . 0 0 "[ . 1 . 2]" 1
314 1 96 ILE MD 1 97 THR HB 5.500 . 5.500 4.600 4.344 4.791 . 0 0 "[ . 1 . 2]" 1
315 1 43 PHE QE 1 96 ILE MD 5.500 . 5.500 2.844 2.602 2.975 . 0 0 "[ . 1 . 2]" 1
316 1 11 PHE HA 1 14 ILE HB 5.500 . 5.500 4.981 4.827 5.082 . 0 0 "[ . 1 . 2]" 1
317 1 14 ILE HB 1 14 ILE MD 3.500 . 3.500 2.376 2.331 2.429 . 0 0 "[ . 1 . 2]" 1
318 1 10 ILE MD 1 14 ILE MG 3.500 . 3.500 3.448 3.019 3.560 0.060 18 0 "[ . 1 . 2]" 1
319 1 14 ILE MG 1 144 TYR HB3 4.500 . 4.500 2.957 2.671 3.193 . 0 0 "[ . 1 . 2]" 1
320 1 14 ILE MG 1 144 TYR HB2 4.500 . 4.500 3.015 2.908 3.224 . 0 0 "[ . 1 . 2]" 1
321 1 11 PHE HA 1 14 ILE MG 4.500 . 4.500 3.831 3.571 3.963 . 0 0 "[ . 1 . 2]" 1
322 1 14 ILE HA 1 14 ILE MD 4.500 . 4.500 4.222 4.211 4.228 . 0 0 "[ . 1 . 2]" 1
323 1 11 PHE HB3 1 14 ILE MD 5.500 . 5.500 3.672 3.547 3.756 . 0 0 "[ . 1 . 2]" 1
324 1 67 ILE HA 1 67 ILE MD 4.500 . 4.500 4.090 4.060 4.121 . 0 0 "[ . 1 . 2]" 1
325 1 67 ILE HA 1 80 ILE HG12 5.500 . 5.500 4.983 4.809 5.160 . 0 0 "[ . 1 . 2]" 1
326 1 67 ILE HA 1 70 HIS HB2 5.500 . 5.500 3.879 3.686 4.205 . 0 0 "[ . 1 . 2]" 1
327 1 67 ILE HA 1 70 HIS HB3 5.500 . 5.500 4.718 4.212 5.525 0.025 10 0 "[ . 1 . 2]" 1
328 1 67 ILE HB 1 80 ILE HG12 5.500 . 5.500 2.991 2.839 3.170 . 0 0 "[ . 1 . 2]" 1
329 1 14 ILE HG13 1 16 GLY H 5.500 . 5.500 4.774 4.596 4.976 . 0 0 "[ . 1 . 2]" 1
330 1 67 ILE MG 1 89 PHE HA 4.500 . 4.500 3.189 3.136 3.289 . 0 0 "[ . 1 . 2]" 1
331 1 67 ILE MG 1 88 ARG HA 5.500 . 5.500 5.536 5.499 5.557 0.057 7 0 "[ . 1 . 2]" 1
332 1 67 ILE MG 1 85 GLU H 5.500 . 5.500 5.509 5.406 5.544 0.044 9 0 "[ . 1 . 2]" 1
333 1 67 ILE MG 1 80 ILE HG12 3.500 . 3.500 3.596 3.570 3.643 0.143 8 0 "[ . 1 . 2]" 1
334 1 67 ILE MD 1 67 ILE MG 3.500 . 3.500 2.544 2.413 2.610 . 0 0 "[ . 1 . 2]" 1
335 1 61 LEU HA 1 61 LEU MD1 4.500 . 4.500 4.145 4.110 4.166 . 0 0 "[ . 1 . 2]" 1
336 1 61 LEU HA 1 61 LEU HG 4.500 . 4.500 3.745 3.717 3.784 . 0 0 "[ . 1 . 2]" 1
337 1 26 PHE QD 1 61 LEU MD1 5.500 . 5.500 3.509 2.835 4.797 . 0 0 "[ . 1 . 2]" 1
338 1 26 PHE QE 1 61 LEU MD1 5.500 . 5.500 3.042 2.524 4.710 . 0 0 "[ . 1 . 2]" 1
339 1 38 LEU HB3 1 61 LEU MD1 5.500 . 5.500 3.437 2.888 4.401 . 0 0 "[ . 1 . 2]" 1
340 1 61 LEU HA 1 61 LEU MD2 4.500 . 4.500 3.239 3.110 3.471 . 0 0 "[ . 1 . 2]" 1
341 1 26 PHE QE 1 61 LEU MD2 5.500 . 5.500 2.559 2.085 3.707 . 0 0 "[ . 1 . 2]" 1
342 1 26 PHE QD 1 61 LEU MD2 5.500 . 5.500 2.743 2.233 3.691 . 0 0 "[ . 1 . 2]" 1
343 1 59 ILE MG 1 61 LEU MD2 5.500 . 5.500 3.774 3.587 4.118 . 0 0 "[ . 1 . 2]" 1
344 1 42 LEU HA 1 54 ALA MB 3.500 . 3.500 2.974 2.370 3.406 . 0 0 "[ . 1 . 2]" 1
345 1 27 LEU HA 1 109 ILE HB 5.500 . 5.500 5.575 5.528 5.614 0.114 18 0 "[ . 1 . 2]" 1
346 1 27 LEU HA 1 118 GLY HA2 4.500 . 4.500 2.330 2.176 2.761 . 0 0 "[ . 1 . 2]" 1
347 1 42 LEU HA 1 55 SER HA 4.500 . 4.500 3.240 3.002 3.513 . 0 0 "[ . 1 . 2]" 1
348 1 27 LEU HA 1 118 GLY HA3 4.500 . 4.500 2.359 2.198 2.517 . 0 0 "[ . 1 . 2]" 1
349 1 29 CYS HA 1 36 LYS HG3 5.500 . 5.500 4.658 4.310 4.813 . 0 0 "[ . 1 . 2]" 1
350 1 36 LYS HG3 1 37 PHE QE 5.500 . 5.500 5.531 5.514 5.546 0.046 13 0 "[ . 1 . 2]" 1
351 1 105 LEU HG 1 141 PHE QE 5.500 . 5.500 4.665 3.471 5.036 . 0 0 "[ . 1 . 2]" 1
352 1 105 LEU MD2 1 133 PHE QD 5.500 . 5.500 3.403 2.373 5.534 0.034 19 0 "[ . 1 . 2]" 1
353 1 105 LEU MD2 1 138 GLU HG3 4.500 . 4.500 3.846 2.947 4.371 . 0 0 "[ . 1 . 2]" 1
354 1 105 LEU MD2 1 138 GLU HG2 4.500 . 4.500 2.966 2.321 3.270 . 0 0 "[ . 1 . 2]" 1
355 1 105 LEU MD1 1 133 PHE QD 5.500 . 5.500 3.618 2.606 5.505 0.005 3 0 "[ . 1 . 2]" 1
356 1 105 LEU MD1 1 138 GLU HA 4.500 . 4.500 3.692 3.192 4.254 . 0 0 "[ . 1 . 2]" 1
357 1 105 LEU MD1 1 138 GLU HG2 4.500 . 4.500 2.366 2.064 2.895 . 0 0 "[ . 1 . 2]" 1
358 1 37 PHE QD 1 38 LEU HA 5.500 . 5.500 4.678 4.103 5.005 . 0 0 "[ . 1 . 2]" 1
359 1 28 VAL HA 1 38 LEU HA 4.500 . 4.500 3.631 3.203 3.822 . 0 0 "[ . 1 . 2]" 1
360 1 38 LEU HA 1 38 LEU MD1 4.500 . 4.500 3.861 3.655 3.945 . 0 0 "[ . 1 . 2]" 1
361 1 38 LEU HA 1 61 LEU MD2 5.500 . 5.500 5.597 5.520 5.663 0.163 8 0 "[ . 1 . 2]" 1
362 1 38 LEU HB2 1 61 LEU MD1 5.500 . 5.500 3.129 2.820 3.474 . 0 0 "[ . 1 . 2]" 1
363 1 38 LEU HB3 1 61 LEU MD2 5.500 . 5.500 3.853 3.716 4.032 . 0 0 "[ . 1 . 2]" 1
364 1 38 LEU HB2 1 61 LEU MD2 5.500 . 5.500 3.622 3.355 3.806 . 0 0 "[ . 1 . 2]" 1
365 1 38 LEU HG 1 63 TRP HH2 5.500 . 5.500 5.429 4.867 5.543 0.043 6 0 "[ . 1 . 2]" 1
366 1 38 LEU HA 1 38 LEU HG 4.500 . 4.500 2.677 2.394 2.866 . 0 0 "[ . 1 . 2]" 1
367 1 28 VAL HA 1 38 LEU HG 5.500 . 5.500 4.250 3.143 4.628 . 0 0 "[ . 1 . 2]" 1
368 1 28 VAL MG1 1 38 LEU HG 5.500 . 5.500 4.900 4.520 5.564 0.064 11 0 "[ . 1 . 2]" 1
369 1 38 LEU MD1 1 63 TRP HH2 5.500 . 5.500 5.287 4.619 5.510 0.010 6 0 "[ . 1 . 2]" 1
370 1 38 LEU HA 1 38 LEU MD2 4.500 . 4.500 2.587 2.403 3.094 . 0 0 "[ . 1 . 2]" 1
371 1 17 LEU HA 1 17 LEU MD2 4.500 . 4.500 3.849 3.782 3.886 . 0 0 "[ . 1 . 2]" 1
372 1 78 LEU HA 1 78 LEU MD1 4.500 . 4.500 2.597 2.180 3.558 . 0 0 "[ . 1 . 2]" 1
373 1 78 LEU HA 1 78 LEU MD2 4.500 . 4.500 3.516 2.230 3.849 . 0 0 "[ . 1 . 2]" 1
374 1 17 LEU HG 1 18 ILE HA 5.500 . 5.500 4.357 4.266 4.490 . 0 0 "[ . 1 . 2]" 1
375 1 25 LEU HB3 1 25 LEU MD2 3.500 . 3.500 2.170 2.123 2.207 . 0 0 "[ . 1 . 2]" 1
376 1 25 LEU HA 1 25 LEU MD1 4.500 . 4.500 3.502 2.471 4.115 . 0 0 "[ . 1 . 2]" 1
377 1 25 LEU HA 1 25 LEU MD2 4.500 . 4.500 3.434 2.375 3.877 . 0 0 "[ . 1 . 2]" 1
378 1 11 PHE QE 1 25 LEU HA 5.500 . 5.500 5.030 4.436 5.471 . 0 0 "[ . 1 . 2]" 1
379 1 11 PHE QE 1 25 LEU MD2 4.500 . 4.500 3.027 2.295 4.322 . 0 0 "[ . 1 . 2]" 1
380 1 11 PHE QD 1 25 LEU MD2 5.500 . 5.500 4.342 3.568 5.516 0.016 16 0 "[ . 1 . 2]" 1
381 1 11 PHE QE 1 25 LEU MD1 4.500 . 4.500 2.851 2.241 3.989 . 0 0 "[ . 1 . 2]" 1
382 1 11 PHE QD 1 25 LEU MD1 5.500 . 5.500 4.220 3.203 5.478 . 0 0 "[ . 1 . 2]" 1
383 1 25 LEU HB3 1 25 LEU MD1 3.500 . 3.500 2.845 2.573 3.138 . 0 0 "[ . 1 . 2]" 1
384 1 25 LEU HB2 1 25 LEU MD1 3.500 . 3.500 2.171 2.119 2.225 . 0 0 "[ . 1 . 2]" 1
385 1 6 LEU HB2 1 6 LEU MD1 3.500 . 3.500 3.226 3.224 3.227 . 0 0 "[ . 1 . 2]" 1
386 1 51 LEU HA 1 51 LEU HG 4.500 . 4.500 2.933 2.266 3.754 . 0 0 "[ . 1 . 2]" 1
387 1 50 THR HA 1 51 LEU HA 5.500 . 5.500 4.354 4.341 4.379 . 0 0 "[ . 1 . 2]" 1
388 1 5 ALA HA 1 51 LEU MD2 4.500 . 4.500 2.502 1.956 4.440 . 0 0 "[ . 1 . 2]" 1
389 1 44 ASP HA 1 46 ALA MB 5.500 . 5.500 5.323 4.873 5.523 0.023 1 0 "[ . 1 . 2]" 1
390 1 17 LEU HA 1 17 LEU MD1 4.500 . 4.500 2.529 2.409 2.692 . 0 0 "[ . 1 . 2]" 1
391 1 17 LEU MD1 1 144 TYR QD 5.500 . 5.500 5.523 5.502 5.544 0.044 11 0 "[ . 1 . 2]" 1
392 1 109 ILE MG 1 145 LEU HB2 5.500 . 5.500 3.539 3.139 3.888 . 0 0 "[ . 1 . 2]" 1
393 1 109 ILE MD 1 145 LEU HB2 5.500 . 5.500 5.502 5.157 5.548 0.048 18 0 "[ . 1 . 2]" 1
394 1 142 ALA HA 1 145 LEU HB3 5.500 . 5.500 4.748 4.667 4.871 . 0 0 "[ . 1 . 2]" 1
395 1 141 PHE QD 1 145 LEU HG 5.500 . 5.500 4.678 4.112 5.212 . 0 0 "[ . 1 . 2]" 1
396 1 120 ALA MB 1 145 LEU MD2 3.500 . 3.500 2.400 2.145 2.657 . 0 0 "[ . 1 . 2]" 1
397 1 142 ALA HA 1 145 LEU MD2 5.500 . 5.500 4.576 3.687 4.787 . 0 0 "[ . 1 . 2]" 1
398 1 120 ALA MB 1 145 LEU MD1 3.500 . 3.500 2.460 2.156 2.804 . 0 0 "[ . 1 . 2]" 1
399 1 107 MET HG2 1 122 ALA MB 5.500 . 5.500 5.525 5.473 5.580 0.080 18 0 "[ . 1 . 2]" 1
400 1 107 MET HG3 1 122 ALA MB 5.500 . 5.500 5.524 5.237 5.621 0.121 10 0 "[ . 1 . 2]" 1
401 1 38 LEU HB3 1 61 LEU HG 4.500 . 4.500 2.904 2.580 3.674 . 0 0 "[ . 1 . 2]" 1
402 1 100 LYS HB3 1 100 LYS HE3 5.500 . 5.500 4.520 3.719 4.877 . 0 0 "[ . 1 . 2]" 1
403 1 100 LYS HB3 1 100 LYS HE2 5.500 . 5.500 4.473 2.598 5.436 . 0 0 "[ . 1 . 2]" 1
404 1 100 LYS HB2 1 100 LYS HE3 5.500 . 5.500 4.455 4.266 4.708 . 0 0 "[ . 1 . 2]" 1
405 1 100 LYS HB2 1 100 LYS HE2 5.500 . 5.500 4.594 3.742 4.878 . 0 0 "[ . 1 . 2]" 1
406 1 110 LYS HA 1 116 VAL HA 4.500 . 4.500 2.402 1.984 3.033 . 0 0 "[ . 1 . 2]" 1
407 1 110 LYS HB2 1 114 GLU HA 5.500 . 5.500 4.064 3.344 5.002 . 0 0 "[ . 1 . 2]" 1
408 1 110 LYS HB3 1 114 GLU HA 5.500 . 5.500 4.788 3.444 5.089 . 0 0 "[ . 1 . 2]" 1
409 1 72 ALA MB 1 119 VAL HB 5.500 . 5.500 4.181 4.072 4.294 . 0 0 "[ . 1 . 2]" 1
410 1 110 LYS HG3 1 116 VAL HA 5.500 . 5.500 4.480 3.357 4.635 . 0 0 "[ . 1 . 2]" 1
411 1 110 LYS HG2 1 116 VAL HA 5.500 . 5.500 4.421 2.202 4.697 . 0 0 "[ . 1 . 2]" 1
412 1 110 LYS HA 1 110 LYS HD3 5.500 . 5.500 4.567 4.159 4.670 . 0 0 "[ . 1 . 2]" 1
413 1 110 LYS HA 1 110 LYS HD2 5.500 . 5.500 5.368 4.369 5.501 0.001 12 0 "[ . 1 . 2]" 1
414 1 110 LYS HD2 1 114 GLU HA 4.500 . 4.500 2.582 2.305 3.449 . 0 0 "[ . 1 . 2]" 1
415 1 75 GLY HA3 1 110 LYS HE3 5.500 . 5.500 4.150 2.604 5.504 0.004 18 0 "[ . 1 . 2]" 1
416 1 75 GLY HA3 1 110 LYS HE2 5.500 . 5.500 3.657 2.702 4.619 . 0 0 "[ . 1 . 2]" 1
417 1 36 LYS HA 1 36 LYS HG2 4.500 . 4.500 3.318 3.098 3.360 . 0 0 "[ . 1 . 2]" 1
418 1 36 LYS HA 1 36 LYS HG3 4.500 . 4.500 2.433 2.354 2.467 . 0 0 "[ . 1 . 2]" 1
419 1 36 LYS HA 1 36 LYS HE3 5.500 . 5.500 4.964 4.017 5.121 . 0 0 "[ . 1 . 2]" 1
420 1 36 LYS HA 1 36 LYS HE2 5.500 . 5.500 4.654 4.579 5.505 0.005 13 0 "[ . 1 . 2]" 1
421 1 30 GLU HA 1 36 LYS HG3 5.500 . 5.500 2.973 2.572 3.162 . 0 0 "[ . 1 . 2]" 1
422 1 30 GLU HA 1 36 LYS HG2 4.500 . 4.500 4.525 4.052 4.569 0.069 8 0 "[ . 1 . 2]" 1
423 1 30 GLU HG3 1 36 LYS HD2 5.500 . 5.500 5.514 5.430 5.783 0.283 5 0 "[ . 1 . 2]" 1
424 1 36 LYS HA 1 36 LYS HD3 4.500 . 4.500 4.207 4.109 4.778 0.278 5 0 "[ . 1 . 2]" 1
425 1 30 GLU HA 1 36 LYS HD2 5.500 . 5.500 5.406 5.332 5.529 0.029 5 0 "[ . 1 . 2]" 1
426 1 36 LYS HA 1 36 LYS HD2 5.500 . 5.500 4.820 4.277 4.893 . 0 0 "[ . 1 . 2]" 1
427 1 36 LYS HD2 1 63 TRP HH2 5.500 . 5.500 4.031 3.900 5.476 . 0 0 "[ . 1 . 2]" 1
428 1 36 LYS HD3 1 63 TRP HH2 5.500 . 5.500 5.425 3.902 5.579 0.079 11 0 "[ . 1 . 2]" 1
429 1 36 LYS HD2 1 63 TRP HZ2 5.500 . 5.500 3.606 3.466 4.439 . 0 0 "[ . 1 . 2]" 1
430 1 36 LYS HD3 1 63 TRP HZ2 5.500 . 5.500 4.960 3.512 5.107 . 0 0 "[ . 1 . 2]" 1
431 1 65 LYS HA 1 65 LYS HG2 4.500 . 4.500 3.021 2.081 3.664 . 0 0 "[ . 1 . 2]" 1
432 1 65 LYS HB2 1 65 LYS HE3 5.500 . 5.500 4.531 4.219 5.215 . 0 0 "[ . 1 . 2]" 1
433 1 65 LYS HB2 1 65 LYS HE2 5.500 . 5.500 4.517 4.052 5.244 . 0 0 "[ . 1 . 2]" 1
434 1 65 LYS HB3 1 65 LYS HE3 5.500 . 5.500 4.652 4.320 4.869 . 0 0 "[ . 1 . 2]" 1
435 1 65 LYS HB3 1 65 LYS HE2 5.500 . 5.500 4.589 4.362 5.357 . 0 0 "[ . 1 . 2]" 1
436 1 62 GLU HG3 1 65 LYS HB3 5.500 . 5.500 4.293 3.229 4.741 . 0 0 "[ . 1 . 2]" 1
437 1 62 GLU HG2 1 65 LYS HB3 5.500 . 5.500 4.258 2.567 5.214 . 0 0 "[ . 1 . 2]" 1
438 1 62 GLU HG3 1 65 LYS HB2 5.500 . 5.500 4.052 2.931 4.667 . 0 0 "[ . 1 . 2]" 1
439 1 62 GLU HG2 1 65 LYS HB2 5.500 . 5.500 4.255 2.331 4.636 . 0 0 "[ . 1 . 2]" 1
440 1 62 GLU HB2 1 65 LYS HB2 5.500 . 5.500 2.217 1.970 3.198 . 0 0 "[ . 1 . 2]" 1
441 1 62 GLU HB2 1 65 LYS HB3 5.500 . 5.500 2.711 2.196 4.460 . 0 0 "[ . 1 . 2]" 1
442 1 65 LYS HA 1 65 LYS HE3 5.500 . 5.500 4.725 4.112 5.560 0.060 11 0 "[ . 1 . 2]" 1
443 1 65 LYS HA 1 65 LYS HE2 5.500 . 5.500 5.011 4.457 5.509 0.009 4 0 "[ . 1 . 2]" 1
444 1 62 GLU HB3 1 65 LYS HE3 5.500 . 5.500 4.900 2.862 5.540 0.040 19 0 "[ . 1 . 2]" 1
445 1 62 GLU HB3 1 65 LYS HE2 5.500 . 5.500 4.586 3.369 5.399 . 0 0 "[ . 1 . 2]" 1
446 1 65 LYS HA 1 65 LYS HG3 4.500 . 4.500 2.728 2.148 3.407 . 0 0 "[ . 1 . 2]" 1
447 1 62 GLU HG3 1 65 LYS HG2 5.500 . 5.500 3.830 2.228 5.004 . 0 0 "[ . 1 . 2]" 1
448 1 62 GLU HG2 1 65 LYS HG2 5.500 . 5.500 4.478 2.561 5.616 0.116 15 0 "[ . 1 . 2]" 1
449 1 126 LYS HA 1 126 LYS HE3 5.500 . 5.500 4.486 2.262 5.445 . 0 0 "[ . 1 . 2]" 1
450 1 126 LYS HA 1 126 LYS HE2 5.500 . 5.500 3.873 2.256 5.253 . 0 0 "[ . 1 . 2]" 1
451 1 126 LYS HA 1 126 LYS HD3 4.500 . 4.500 3.693 2.386 4.547 0.047 15 0 "[ . 1 . 2]" 1
452 1 126 LYS HA 1 126 LYS HD2 4.500 . 4.500 3.680 2.933 4.538 0.038 5 0 "[ . 1 . 2]" 1
453 1 34 LYS HA 1 34 LYS HG2 4.500 . 4.500 2.638 2.290 3.605 . 0 0 "[ . 1 . 2]" 1
454 1 34 LYS HA 1 34 LYS HD3 4.500 . 4.500 2.826 2.397 4.301 . 0 0 "[ . 1 . 2]" 1
455 1 34 LYS HA 1 34 LYS HD2 4.500 . 4.500 3.485 2.400 4.475 . 0 0 "[ . 1 . 2]" 1
456 1 34 LYS HA 1 34 LYS HG3 4.500 . 4.500 3.626 2.412 3.763 . 0 0 "[ . 1 . 2]" 1
457 1 9 LYS HA 1 9 LYS HD3 4.500 . 4.500 3.675 3.483 4.577 0.077 5 0 "[ . 1 . 2]" 1
458 1 9 LYS HB2 1 9 LYS HD3 3.500 . 3.500 2.488 2.389 2.731 . 0 0 "[ . 1 . 2]" 1
459 1 80 ILE HA 1 81 LYS HA 5.500 . 5.500 4.370 4.357 4.382 . 0 0 "[ . 1 . 2]" 1
460 1 81 LYS HA 1 82 ASP HA 5.500 . 5.500 4.645 4.574 4.721 . 0 0 "[ . 1 . 2]" 1
461 1 81 LYS HA 1 103 SER HA 5.500 . 5.500 3.507 2.713 3.904 . 0 0 "[ . 1 . 2]" 1
462 1 6 LEU HA 1 9 LYS HE3 5.500 . 5.500 4.391 3.567 5.230 . 0 0 "[ . 1 . 2]" 1
463 1 6 LEU HA 1 9 LYS HE2 5.500 . 5.500 3.865 2.956 5.095 . 0 0 "[ . 1 . 2]" 1
464 1 81 LYS HA 1 81 LYS HG3 4.500 . 4.500 3.037 2.216 3.762 . 0 0 "[ . 1 . 2]" 1
465 1 81 LYS HA 1 81 LYS HG2 4.500 . 4.500 2.822 2.330 3.707 . 0 0 "[ . 1 . 2]" 1
466 1 6 LEU HA 1 9 LYS HG3 4.500 . 4.500 4.496 2.775 4.607 0.107 16 0 "[ . 1 . 2]" 1
467 1 136 LYS HA 1 136 LYS HE3 5.500 . 5.500 4.831 4.049 5.463 . 0 0 "[ . 1 . 2]" 1
468 1 136 LYS HA 1 136 LYS HE2 5.500 . 5.500 4.928 4.168 5.516 0.016 16 0 "[ . 1 . 2]" 1
469 1 139 LYS HA 1 139 LYS HG3 4.500 . 4.500 2.921 2.212 3.895 . 0 0 "[ . 1 . 2]" 1
470 1 139 LYS HA 1 139 LYS HG2 4.500 . 4.500 3.374 3.080 3.564 . 0 0 "[ . 1 . 2]" 1
471 1 107 MET HG2 1 141 PHE QD 4.500 . 4.500 3.510 2.600 4.242 . 0 0 "[ . 1 . 2]" 1
472 1 18 ILE MG 1 141 PHE HA 4.500 . 4.500 4.298 3.964 4.513 0.013 16 0 "[ . 1 . 2]" 1
473 1 14 ILE MG 1 141 PHE HA 4.500 . 4.500 4.129 3.851 4.427 . 0 0 "[ . 1 . 2]" 1
474 1 24 SER HB2 1 43 PHE HA 5.500 . 5.500 4.358 4.029 5.051 . 0 0 "[ . 1 . 2]" 1
475 1 24 SER HB3 1 43 PHE HA 5.500 . 5.500 5.016 3.871 5.531 0.031 16 0 "[ . 1 . 2]" 1
476 1 73 ALA MB 1 74 PHE HA 5.500 . 5.500 3.954 3.934 3.971 . 0 0 "[ . 1 . 2]" 1
477 1 74 PHE HA 1 75 GLY HA2 5.500 . 5.500 5.290 5.266 5.313 . 0 0 "[ . 1 . 2]" 1
478 1 74 PHE HA 1 74 PHE QE 5.500 . 5.500 4.588 4.554 4.632 . 0 0 "[ . 1 . 2]" 1
479 1 147 PHE HA 1 147 PHE QE 5.500 . 5.500 4.616 4.556 4.706 . 0 0 "[ . 1 . 2]" 1
480 1 32 SER HA 1 33 SER HA 5.500 . 5.500 4.691 4.677 4.700 . 0 0 "[ . 1 . 2]" 1
481 1 146 ALA HA 1 147 PHE HA 5.500 . 5.500 4.717 4.708 4.728 . 0 0 "[ . 1 . 2]" 1
482 1 77 PRO HA 1 107 MET HA 4.500 . 4.500 2.937 2.195 3.376 . 0 0 "[ . 1 . 2]" 1
483 1 71 VAL MG1 1 77 PRO HA 5.500 . 5.500 3.518 3.360 3.686 . 0 0 "[ . 1 . 2]" 1
484 1 86 ASP HA 1 87 PRO HG3 5.500 . 5.500 4.655 4.596 4.720 . 0 0 "[ . 1 . 2]" 1
485 1 76 GLU HB3 1 77 PRO HD3 4.500 . 4.500 3.124 2.794 3.671 . 0 0 "[ . 1 . 2]" 1
486 1 77 PRO HA 1 107 MET HG2 5.500 . 5.500 5.075 4.702 5.599 0.099 1 0 "[ . 1 . 2]" 1
487 1 77 PRO HA 1 107 MET HG3 5.500 . 5.500 5.493 5.132 5.581 0.081 1 0 "[ . 1 . 2]" 1
488 1 24 SER HB2 1 43 PHE QD 5.500 . 5.500 4.177 3.786 4.824 . 0 0 "[ . 1 . 2]" 1
489 1 24 SER HB3 1 43 PHE QD 5.500 . 5.500 4.808 3.734 5.499 . 0 0 "[ . 1 . 2]" 1
490 1 54 ALA MB 1 55 SER HA 5.500 . 5.500 4.027 3.922 4.064 . 0 0 "[ . 1 . 2]" 1
491 1 49 SER HA 1 53 GLU HB3 5.500 . 5.500 5.068 4.050 5.523 0.023 1 0 "[ . 1 . 2]" 1
492 1 49 SER HA 1 53 GLU HB2 5.500 . 5.500 4.781 4.339 5.514 0.014 3 0 "[ . 1 . 2]" 1
493 1 49 SER HA 1 50 THR MG 4.500 . 4.500 3.748 3.525 3.878 . 0 0 "[ . 1 . 2]" 1
494 1 45 VAL HA 1 49 SER HB3 5.500 . 5.500 4.630 4.324 4.978 . 0 0 "[ . 1 . 2]" 1
495 1 45 VAL HA 1 49 SER HB2 5.500 . 5.500 3.975 3.516 4.666 . 0 0 "[ . 1 . 2]" 1
496 1 33 SER HB2 1 35 ASP HB3 5.500 . 5.500 4.427 4.391 4.528 . 0 0 "[ . 1 . 2]" 1
497 1 116 VAL HA 1 116 VAL MG1 3.500 . 3.500 2.548 2.283 3.243 . 0 0 "[ . 1 . 2]" 1
498 1 33 SER HA 1 34 LYS HG3 5.500 . 5.500 5.077 4.250 5.347 . 0 0 "[ . 1 . 2]" 1
499 1 33 SER HA 1 34 LYS HG2 5.500 . 5.500 4.495 4.155 5.590 0.090 2 0 "[ . 1 . 2]" 1
500 1 132 THR HA 1 132 THR MG 3.500 . 3.500 2.341 2.058 3.250 . 0 0 "[ . 1 . 2]" 1
501 1 132 THR HA 1 133 PHE QD 5.500 . 5.500 4.159 3.787 4.633 . 0 0 "[ . 1 . 2]" 1
502 1 81 LYS HA 1 132 THR HB 4.500 . 4.500 4.116 2.866 4.586 0.086 4 0 "[ . 1 . 2]" 1
503 1 132 THR HB 1 133 PHE QD 5.500 . 5.500 3.309 2.328 4.944 . 0 0 "[ . 1 . 2]" 1
504 1 81 LYS HD3 1 132 THR HB 5.500 . 5.500 4.506 2.954 5.559 0.059 12 0 "[ . 1 . 2]" 1
505 1 81 LYS HD2 1 132 THR HB 5.500 . 5.500 4.925 3.298 5.532 0.032 14 0 "[ . 1 . 2]" 1
506 1 103 SER HA 1 132 THR MG 5.500 . 5.500 3.465 2.564 4.566 . 0 0 "[ . 1 . 2]" 1
507 1 132 THR MG 1 133 PHE QD 5.500 . 5.500 2.950 2.233 4.136 . 0 0 "[ . 1 . 2]" 1
508 1 81 LYS HA 1 132 THR MG 3.500 . 3.500 2.083 1.910 2.333 . 0 0 "[ . 1 . 2]" 1
509 1 81 LYS HD3 1 132 THR MG 5.500 . 5.500 3.292 2.011 4.477 . 0 0 "[ . 1 . 2]" 1
510 1 81 LYS HD2 1 132 THR MG 5.500 . 5.500 3.497 2.149 4.711 . 0 0 "[ . 1 . 2]" 1
511 1 50 THR MG 1 53 GLU HG2 5.500 . 5.500 3.746 2.317 5.523 0.023 7 0 "[ . 1 . 2]" 1
512 1 134 THR HA 1 134 THR MG 3.500 . 3.500 2.202 2.156 2.227 . 0 0 "[ . 1 . 2]" 1
513 1 50 THR MG 1 53 GLU HA 5.500 . 5.500 4.385 3.831 5.617 0.117 19 0 "[ . 1 . 2]" 1
514 1 134 THR MG 1 135 GLU HA 5.500 . 5.500 4.345 4.276 5.026 . 0 0 "[ . 1 . 2]" 1
515 1 50 THR HA 1 50 THR MG 3.500 . 3.500 3.031 2.357 3.251 . 0 0 "[ . 1 . 2]" 1
516 1 93 VAL HA 1 97 THR MG 5.500 . 5.500 3.695 3.554 3.858 . 0 0 "[ . 1 . 2]" 1
517 1 96 ILE HG12 1 97 THR MG 4.500 . 4.500 3.989 3.838 4.228 . 0 0 "[ . 1 . 2]" 1
518 1 96 ILE MD 1 97 THR MG 3.500 . 3.500 2.094 2.001 2.289 . 0 0 "[ . 1 . 2]" 1
519 1 59 ILE MG 1 97 THR MG 4.500 . 4.500 3.028 2.939 3.225 . 0 0 "[ . 1 . 2]" 1
520 1 59 ILE HG13 1 97 THR MG 5.500 . 5.500 5.621 5.580 5.662 0.162 15 0 "[ . 1 . 2]" 1
521 1 59 ILE MD 1 97 THR MG 5.500 . 5.500 4.988 4.791 5.255 . 0 0 "[ . 1 . 2]" 1
522 1 43 PHE QE 1 97 THR MG 3.500 . 3.500 2.844 2.757 2.974 . 0 0 "[ . 1 . 2]" 1
523 1 43 PHE QE 1 97 THR HB 5.500 . 5.500 5.176 5.111 5.275 . 0 0 "[ . 1 . 2]" 1
524 1 97 THR HA 1 97 THR MG 3.500 . 3.500 2.378 2.315 2.421 . 0 0 "[ . 1 . 2]" 1
525 1 101 THR HA 1 101 THR MG 3.500 . 3.500 3.154 2.368 3.246 . 0 0 "[ . 1 . 2]" 1
526 1 101 THR HA 1 123 ILE HB 5.500 . 5.500 4.324 3.977 4.859 . 0 0 "[ . 1 . 2]" 1
527 1 99 TYR QE 1 101 THR HA 4.500 . 4.500 3.369 3.145 3.675 . 0 0 "[ . 1 . 2]" 1
528 1 99 TYR QD 1 101 THR HA 5.500 . 5.500 4.396 4.110 4.744 . 0 0 "[ . 1 . 2]" 1
529 1 83 ALA MB 1 101 THR HB 5.500 . 5.500 4.854 3.074 5.453 . 0 0 "[ . 1 . 2]" 1
530 1 84 TYR QD 1 101 THR HB 5.500 . 5.500 3.520 2.115 4.082 . 0 0 "[ . 1 . 2]" 1
531 1 99 TYR QD 1 101 THR HB 5.500 . 5.500 3.534 3.131 5.483 . 0 0 "[ . 1 . 2]" 1
532 1 82 ASP HA 1 101 THR MG 5.500 . 5.500 3.436 3.201 3.687 . 0 0 "[ . 1 . 2]" 1
533 1 101 THR MG 1 103 SER HA 5.500 . 5.500 4.084 3.353 4.465 . 0 0 "[ . 1 . 2]" 1
534 1 101 THR MG 1 104 ILE HA 5.500 . 5.500 4.230 3.462 4.839 . 0 0 "[ . 1 . 2]" 1
535 1 101 THR MG 1 123 ILE HA 5.500 . 5.500 3.974 2.991 4.336 . 0 0 "[ . 1 . 2]" 1
536 1 84 TYR QD 1 101 THR MG 4.500 . 4.500 2.240 2.022 3.635 . 0 0 "[ . 1 . 2]" 1
537 1 82 ASP H 1 101 THR MG 5.500 . 5.500 5.534 5.497 5.584 0.084 10 0 "[ . 1 . 2]" 1
538 1 101 THR MG 1 123 ILE MG 4.500 . 4.500 2.070 1.954 2.155 . 0 0 "[ . 1 . 2]" 1
539 1 83 ALA MB 1 101 THR MG 3.500 . 3.500 2.696 2.133 3.520 0.020 10 0 "[ . 1 . 2]" 1
540 1 101 THR MG 1 104 ILE MG 3.500 . 3.500 2.181 2.011 3.072 . 0 0 "[ . 1 . 2]" 1
541 1 101 THR MG 1 104 ILE HB 5.500 . 5.500 2.712 2.137 3.388 . 0 0 "[ . 1 . 2]" 1
542 1 99 TYR HA 1 99 TYR QD 4.500 . 4.500 2.693 2.605 2.789 . 0 0 "[ . 1 . 2]" 1
543 1 83 ALA HA 1 84 TYR HA 5.500 . 5.500 4.795 4.734 4.834 . 0 0 "[ . 1 . 2]" 1
544 1 11 PHE HB2 1 14 ILE MD 5.500 . 5.500 4.429 4.263 4.516 . 0 0 "[ . 1 . 2]" 1
545 1 144 TYR HA 1 144 TYR QD 4.500 . 4.500 2.973 2.908 3.068 . 0 0 "[ . 1 . 2]" 1
546 1 10 ILE MD 1 144 TYR HA 5.500 . 5.500 3.793 2.717 4.160 . 0 0 "[ . 1 . 2]" 1
547 1 117 VAL HA 1 117 VAL MG1 3.500 . 3.500 2.274 2.238 2.296 . 0 0 "[ . 1 . 2]" 1
548 1 119 VAL HA 1 119 VAL MG1 3.500 . 3.500 2.220 2.170 2.296 . 0 0 "[ . 1 . 2]" 1
549 1 119 VAL HA 1 119 VAL MG2 3.500 . 3.500 2.759 2.646 2.864 . 0 0 "[ . 1 . 2]" 1
550 1 116 VAL HA 1 116 VAL MG2 3.500 . 3.500 2.507 2.246 2.609 . 0 0 "[ . 1 . 2]" 1
551 1 68 VAL HA 1 119 VAL MG1 5.500 . 5.500 3.210 2.787 3.503 . 0 0 "[ . 1 . 2]" 1
552 1 45 VAL HA 1 45 VAL MG1 3.500 . 3.500 2.308 2.274 2.342 . 0 0 "[ . 1 . 2]" 1
553 1 45 VAL HA 1 54 ALA MB 4.500 . 4.500 3.606 3.421 3.916 . 0 0 "[ . 1 . 2]" 1
554 1 45 VAL HA 1 54 ALA HA 5.500 . 5.500 5.299 4.933 5.512 0.012 5 0 "[ . 1 . 2]" 1
555 1 93 VAL HA 1 96 ILE MD 4.500 . 4.500 2.953 2.816 3.132 . 0 0 "[ . 1 . 2]" 1
556 1 43 PHE QE 1 93 VAL HA 5.500 . 5.500 5.504 5.344 5.561 0.061 8 0 "[ . 1 . 2]" 1
557 1 111 ASN HA 1 117 VAL MG2 5.500 . 5.500 4.448 3.656 5.147 . 0 0 "[ . 1 . 2]" 1
558 1 110 LYS HA 1 117 VAL MG2 5.500 . 5.500 2.224 2.043 2.515 . 0 0 "[ . 1 . 2]" 1
559 1 116 VAL HA 1 117 VAL MG2 4.500 . 4.500 3.460 3.352 3.604 . 0 0 "[ . 1 . 2]" 1
560 1 111 ASN HB3 1 117 VAL MG2 5.500 . 5.500 4.431 3.401 5.229 . 0 0 "[ . 1 . 2]" 1
561 1 111 ASN HB2 1 117 VAL MG2 5.500 . 5.500 4.423 3.037 5.315 . 0 0 "[ . 1 . 2]" 1
562 1 110 LYS HB3 1 117 VAL MG2 5.500 . 5.500 4.293 3.808 4.605 . 0 0 "[ . 1 . 2]" 1
563 1 63 TRP HH2 1 116 VAL MG1 5.500 . 5.500 3.462 2.857 4.133 . 0 0 "[ . 1 . 2]" 1
564 1 111 ASN HB3 1 117 VAL MG1 4.500 . 4.500 3.881 3.229 4.541 0.041 13 0 "[ . 1 . 2]" 1
565 1 111 ASN HB2 1 117 VAL MG1 4.500 . 4.500 3.753 1.955 4.525 0.025 6 0 "[ . 1 . 2]" 1
566 1 26 PHE HB3 1 119 VAL HB 5.500 . 5.500 5.087 3.926 5.561 0.061 13 0 "[ . 1 . 2]" 1
567 1 26 PHE HB2 1 119 VAL HB 5.500 . 5.500 3.616 2.412 4.280 . 0 0 "[ . 1 . 2]" 1
568 1 68 VAL MG1 1 119 VAL MG2 4.500 . 4.500 4.310 3.654 4.534 0.034 7 0 "[ . 1 . 2]" 1
569 1 68 VAL HA 1 119 VAL MG2 5.500 . 5.500 4.745 4.137 5.076 . 0 0 "[ . 1 . 2]" 1
570 1 108 PRO HA 1 119 VAL MG2 4.500 . 4.500 3.711 3.369 3.963 . 0 0 "[ . 1 . 2]" 1
571 1 28 VAL MG1 1 63 TRP HZ2 5.500 . 5.500 3.807 3.492 5.156 . 0 0 "[ . 1 . 2]" 1
572 1 28 VAL MG2 1 63 TRP HZ2 5.500 . 5.500 3.980 3.544 4.143 . 0 0 "[ . 1 . 2]" 1
573 1 28 VAL MG1 1 63 TRP HH2 4.500 . 4.500 2.690 2.426 3.817 . 0 0 "[ . 1 . 2]" 1
574 1 28 VAL MG2 1 38 LEU HG 5.500 . 5.500 4.790 3.724 5.117 . 0 0 "[ . 1 . 2]" 1
575 1 116 VAL HB 1 117 VAL MG2 5.500 . 5.500 5.333 5.227 5.500 . 0 0 "[ . 1 . 2]" 1
576 1 3 VAL HA 1 3 VAL MG2 3.500 . 3.500 2.874 2.328 3.226 . 0 0 "[ . 1 . 2]" 1
577 1 110 LYS HB3 1 116 VAL MG1 5.500 . 5.500 3.440 2.645 5.608 0.108 17 0 "[ . 1 . 2]" 1
578 1 110 LYS HB3 1 117 VAL MG1 5.500 . 5.500 5.348 5.068 5.564 0.064 17 0 "[ . 1 . 2]" 1
579 1 110 LYS HB3 1 116 VAL MG2 5.500 . 5.500 2.992 2.651 4.931 . 0 0 "[ . 1 . 2]" 1
580 1 63 TRP HH2 1 116 VAL MG2 5.500 . 5.500 4.543 3.481 5.263 . 0 0 "[ . 1 . 2]" 1
581 1 68 VAL MG1 1 119 VAL MG1 4.500 . 4.500 3.467 3.006 3.706 . 0 0 "[ . 1 . 2]" 1
582 1 38 LEU HG 1 68 VAL MG1 6.500 . 6.500 6.564 6.520 6.635 0.135 7 0 "[ . 1 . 2]" 1
583 1 26 PHE QD 1 68 VAL MG1 4.500 . 4.500 4.133 3.594 4.574 0.074 12 0 "[ . 1 . 2]" 1
584 1 26 PHE QE 1 68 VAL MG1 5.500 . 5.500 2.899 2.247 3.540 . 0 0 "[ . 1 . 2]" 1
585 1 26 PHE QE 1 68 VAL MG2 5.500 . 5.500 3.569 2.127 4.482 . 0 0 "[ . 1 . 2]" 1
586 1 26 PHE QD 1 68 VAL MG2 4.500 . 4.500 3.713 2.966 4.153 . 0 0 "[ . 1 . 2]" 1
587 1 38 LEU HG 1 68 VAL MG2 5.500 . 5.500 4.231 4.169 4.319 . 0 0 "[ . 1 . 2]" 1
588 1 68 VAL MG2 1 119 VAL MG2 4.500 . 4.500 2.623 2.315 3.498 . 0 0 "[ . 1 . 2]" 1
589 1 68 VAL MG2 1 119 VAL MG1 4.500 . 4.500 2.921 2.338 3.615 . 0 0 "[ . 1 . 2]" 1
590 1 45 VAL MG2 1 54 ALA HA 5.500 . 5.500 4.732 3.933 5.141 . 0 0 "[ . 1 . 2]" 1
591 1 42 LEU HA 1 45 VAL MG2 5.500 . 5.500 4.663 4.181 5.025 . 0 0 "[ . 1 . 2]" 1
592 1 23 TYR QD 1 45 VAL MG2 5.500 . 5.500 4.370 3.876 5.090 . 0 0 "[ . 1 . 2]" 1
593 1 45 VAL MG2 1 54 ALA MB 3.500 . 3.500 2.840 2.118 3.052 . 0 0 "[ . 1 . 2]" 1
594 1 45 VAL MG1 1 49 SER HB3 5.500 . 5.500 4.835 4.456 5.097 . 0 0 "[ . 1 . 2]" 1
595 1 45 VAL MG1 1 49 SER HB2 5.500 . 5.500 3.940 3.499 4.745 . 0 0 "[ . 1 . 2]" 1
596 1 23 TYR QD 1 45 VAL MG1 5.500 . 5.500 3.988 3.197 5.057 . 0 0 "[ . 1 . 2]" 1
597 1 11 PHE HB3 1 45 VAL MG1 5.500 . 5.500 2.549 2.162 3.056 . 0 0 "[ . 1 . 2]" 1
598 1 11 PHE HB2 1 45 VAL MG1 5.500 . 5.500 3.379 2.794 3.844 . 0 0 "[ . 1 . 2]" 1
599 1 45 VAL MG1 1 54 ALA MB 4.500 . 4.500 3.571 2.994 3.854 . 0 0 "[ . 1 . 2]" 1
600 1 3 VAL HA 1 3 VAL MG1 3.500 . 3.500 2.367 2.220 3.250 . 0 0 "[ . 1 . 2]" 1
601 1 71 VAL HA 1 71 VAL MG2 3.500 . 3.500 3.002 2.364 3.199 . 0 0 "[ . 1 . 2]" 1
602 1 71 VAL MG2 1 77 PRO HA 5.500 . 5.500 5.278 4.704 5.506 0.006 20 0 "[ . 1 . 2]" 1
603 1 71 VAL HA 1 71 VAL MG1 3.500 . 3.500 2.238 2.166 2.411 . 0 0 "[ . 1 . 2]" 1
604 1 43 PHE QE 1 93 VAL MG2 4.500 . 4.500 4.433 4.112 4.541 0.041 6 0 "[ . 1 . 2]" 1
605 1 84 TYR QE 1 93 VAL MG2 5.500 . 5.500 4.464 4.037 4.927 . 0 0 "[ . 1 . 2]" 1
606 1 59 ILE MG 1 93 VAL MG1 4.500 . 4.500 1.928 1.903 1.979 . 0 0 "[ . 1 . 2]" 1
607 1 59 ILE MD 1 93 VAL MG1 4.500 . 4.500 3.334 3.181 3.541 . 0 0 "[ . 1 . 2]" 1
608 1 43 PHE QE 1 93 VAL MG1 4.500 . 4.500 3.028 2.904 3.173 . 0 0 "[ . 1 . 2]" 1
609 1 108 PRO HA 1 119 VAL HA 4.500 . 4.500 2.184 2.042 2.305 . 0 0 "[ . 1 . 2]" 1
610 1 108 PRO HA 1 119 VAL MG1 4.500 . 4.500 2.105 1.995 2.273 . 0 0 "[ . 1 . 2]" 1
611 1 72 ALA MB 1 108 PRO HA 5.500 . 5.500 5.169 4.959 5.319 . 0 0 "[ . 1 . 2]" 1
612 1 10 ILE HA 1 10 ILE MD 4.500 . 4.500 3.677 2.877 3.836 . 0 0 "[ . 1 . 2]" 1
613 1 7 CYS HA 1 10 ILE MD 5.500 . 5.500 4.472 4.026 5.523 0.023 3 0 "[ . 1 . 2]" 1
614 1 10 ILE MD 1 11 PHE HA 5.500 . 5.500 3.318 2.794 5.025 . 0 0 "[ . 1 . 2]" 1
615 1 10 ILE MD 1 144 TYR QD 4.500 . 4.500 2.617 2.003 2.847 . 0 0 "[ . 1 . 2]" 1
616 1 10 ILE MD 1 11 PHE QD 4.500 . 4.500 3.139 2.179 4.575 0.075 18 0 "[ . 1 . 2]" 1
617 1 10 ILE MD 1 10 ILE MG 3.500 . 3.500 2.853 2.023 2.988 . 0 0 "[ . 1 . 2]" 1
618 1 7 CYS HA 1 10 ILE HB 5.500 . 5.500 5.214 4.657 5.508 0.008 17 0 "[ . 1 . 2]" 1
619 1 6 LEU MD1 1 7 CYS HA 4.500 . 4.500 4.066 3.951 4.539 0.039 5 0 "[ . 1 . 2]" 1
620 1 7 CYS HA 1 10 ILE MG 4.500 . 4.500 2.887 2.167 3.170 . 0 0 "[ . 1 . 2]" 1
621 1 66 GLY HA2 1 90 ASN HB3 5.500 . 5.500 5.451 5.293 5.525 0.025 15 0 "[ . 1 . 2]" 1
622 1 145 LEU HA 1 148 CYS HB3 5.500 . 5.500 3.495 2.424 4.686 . 0 0 "[ . 1 . 2]" 1
623 1 145 LEU HA 1 148 CYS HB2 5.500 . 5.500 3.537 2.511 4.537 . 0 0 "[ . 1 . 2]" 1
624 1 10 ILE MD 1 148 CYS HB3 4.500 . 4.500 3.011 2.486 4.142 . 0 0 "[ . 1 . 2]" 1
625 1 10 ILE MD 1 148 CYS HB2 4.500 . 4.500 2.737 2.194 4.298 . 0 0 "[ . 1 . 2]" 1
626 1 10 ILE MG 1 148 CYS HA 5.500 . 5.500 4.222 3.845 4.646 . 0 0 "[ . 1 . 2]" 1
627 1 22 ARG HD2 1 44 ASP HA 4.500 . 4.500 2.875 2.320 3.853 . 0 0 "[ . 1 . 2]" 1
628 1 25 LEU HB2 1 25 LEU MD2 3.500 . 3.500 2.947 2.592 3.154 . 0 0 "[ . 1 . 2]" 1
629 1 12 LEU HA 1 12 LEU MD2 4.500 . 4.500 3.444 2.287 3.806 . 0 0 "[ . 1 . 2]" 1
630 1 12 LEU HA 1 12 LEU HG 3.500 . 3.500 2.392 2.254 2.984 . 0 0 "[ . 1 . 2]" 1
631 1 12 LEU HA 1 12 LEU MD1 4.500 . 4.500 3.008 2.502 3.938 . 0 0 "[ . 1 . 2]" 1
632 1 11 PHE QD 1 12 LEU HA 5.500 . 5.500 5.569 5.519 5.602 0.102 18 0 "[ . 1 . 2]" 1
633 1 81 LYS HE3 1 132 THR MG 5.500 . 5.500 4.747 2.734 5.515 0.015 17 0 "[ . 1 . 2]" 1
634 1 81 LYS HE2 1 132 THR MG 5.500 . 5.500 4.911 4.034 5.540 0.040 4 0 "[ . 1 . 2]" 1
635 1 105 LEU MD1 1 138 GLU HG3 4.500 . 4.500 3.549 2.821 4.176 . 0 0 "[ . 1 . 2]" 1
636 1 105 LEU MD1 1 138 GLU HB2 5.500 . 5.500 4.895 4.140 5.514 0.014 19 0 "[ . 1 . 2]" 1
637 1 105 LEU MD2 1 138 GLU HB2 5.500 . 5.500 5.122 4.566 5.355 . 0 0 "[ . 1 . 2]" 1
638 1 105 LEU MD2 1 138 GLU HB3 5.500 . 5.500 4.559 3.772 5.143 . 0 0 "[ . 1 . 2]" 1
639 1 105 LEU MD1 1 138 GLU HB3 5.500 . 5.500 4.193 3.425 4.939 . 0 0 "[ . 1 . 2]" 1
640 1 136 LYS HB3 1 137 ASP HA 5.500 . 5.500 4.242 4.018 4.444 . 0 0 "[ . 1 . 2]" 1
641 1 136 LYS HB2 1 137 ASP HA 5.500 . 5.500 4.936 4.511 5.536 0.036 11 0 "[ . 1 . 2]" 1
642 1 134 THR HA 1 135 GLU HB3 5.500 . 5.500 5.315 5.219 5.435 . 0 0 "[ . 1 . 2]" 1
643 1 134 THR HA 1 135 GLU HB2 5.500 . 5.500 4.352 4.290 4.495 . 0 0 "[ . 1 . 2]" 1
644 1 6 LEU MD2 1 9 LYS HG3 4.500 . 4.500 4.488 4.089 4.518 0.018 9 0 "[ . 1 . 2]" 1
645 1 9 LYS HB3 1 9 LYS HE3 5.500 . 5.500 4.982 4.640 5.522 0.022 17 0 "[ . 1 . 2]" 1
646 1 9 LYS HB3 1 9 LYS HE2 5.500 . 5.500 4.849 4.467 5.513 0.013 2 0 "[ . 1 . 2]" 1
647 1 9 LYS HB2 1 9 LYS HE3 5.500 . 5.500 4.590 4.157 4.833 . 0 0 "[ . 1 . 2]" 1
648 1 9 LYS HB2 1 9 LYS HE2 5.500 . 5.500 4.379 3.953 4.755 . 0 0 "[ . 1 . 2]" 1
649 1 6 LEU MD1 1 9 LYS HB3 3.500 . 3.500 3.287 2.978 3.634 0.134 5 0 "[ . 1 . 2]" 1
650 1 9 LYS HA 1 9 LYS HD2 3.500 . 3.500 2.699 2.539 3.642 0.142 5 0 "[ . 1 . 2]" 1
651 1 9 LYS HA 1 9 LYS HE3 5.500 . 5.500 4.684 3.581 5.524 0.024 5 0 "[ . 1 . 2]" 1
652 1 9 LYS HA 1 9 LYS HE2 5.500 . 5.500 4.892 4.085 5.627 0.127 5 0 "[ . 1 . 2]" 1
653 1 34 LYS HA 1 34 LYS HE3 5.500 . 5.500 4.775 2.436 5.314 . 0 0 "[ . 1 . 2]" 1
654 1 34 LYS HA 1 34 LYS HE2 5.500 . 5.500 4.577 3.706 5.393 . 0 0 "[ . 1 . 2]" 1
655 1 96 ILE HG13 1 97 THR MG 4.500 . 4.500 2.743 2.571 3.223 . 0 0 "[ . 1 . 2]" 1
656 1 85 GLU H 1 89 PHE HB2 5.500 . 5.500 5.182 4.607 5.499 . 0 0 "[ . 1 . 2]" 1
657 1 85 GLU H 1 89 PHE HB3 5.500 . 5.500 4.852 4.527 4.991 . 0 0 "[ . 1 . 2]" 1
658 1 11 PHE HA 1 14 ILE MD 4.500 . 4.500 2.255 2.165 2.392 . 0 0 "[ . 1 . 2]" 1
659 1 11 PHE HA 1 45 VAL MG1 5.500 . 5.500 4.858 4.397 5.395 . 0 0 "[ . 1 . 2]" 1
660 1 80 ILE MG 1 104 ILE MG 3.500 . 3.500 2.179 1.979 2.610 . 0 0 "[ . 1 . 2]" 1
661 1 6 LEU HA 1 9 LYS HG2 4.500 . 4.500 3.373 3.314 3.651 . 0 0 "[ . 1 . 2]" 1
662 1 6 LEU HA 1 6 LEU MD2 3.500 . 3.500 2.196 2.177 2.236 . 0 0 "[ . 1 . 2]" 1
663 1 6 LEU HA 1 9 LYS HA 5.500 . 5.500 5.215 5.026 5.523 0.023 5 0 "[ . 1 . 2]" 1
664 1 6 LEU HB3 1 6 LEU MD2 3.500 . 3.500 3.222 3.217 3.225 . 0 0 "[ . 1 . 2]" 1
665 1 6 LEU MD2 1 9 LYS HB3 4.500 . 4.500 4.339 4.116 4.499 . 0 0 "[ . 1 . 2]" 1
666 1 6 LEU HA 1 6 LEU MD1 3.500 . 3.500 2.397 2.130 2.459 . 0 0 "[ . 1 . 2]" 1
667 1 82 ASP HA 1 83 ALA H 3.500 . 3.500 2.163 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
668 1 82 ASP HB2 1 83 ALA H 5.500 . 5.500 4.149 3.684 4.645 . 0 0 "[ . 1 . 2]" 1
669 1 82 ASP HB3 1 83 ALA H 5.500 . 5.500 4.179 3.732 4.431 . 0 0 "[ . 1 . 2]" 1
670 1 83 ALA H 1 83 ALA MB 3.500 . 3.500 2.219 2.053 2.262 . 0 0 "[ . 1 . 2]" 1
671 1 82 ASP H 1 83 ALA H 4.500 . 4.500 3.711 3.454 3.864 . 0 0 "[ . 1 . 2]" 1
672 1 26 PHE QD 1 27 LEU H 5.500 . 5.500 4.650 4.561 4.730 . 0 0 "[ . 1 . 2]" 1
673 1 27 LEU H 1 28 VAL H 5.500 . 5.500 4.507 4.387 4.557 . 0 0 "[ . 1 . 2]" 1
674 1 26 PHE HA 1 27 LEU H 3.500 . 3.500 2.231 2.196 2.256 . 0 0 "[ . 1 . 2]" 1
675 1 26 PHE HB3 1 27 LEU H 5.500 . 5.500 3.056 2.869 3.309 . 0 0 "[ . 1 . 2]" 1
676 1 26 PHE HB2 1 27 LEU H 5.500 . 5.500 3.327 3.043 3.576 . 0 0 "[ . 1 . 2]" 1
677 1 27 LEU H 1 27 LEU HG 4.500 . 4.500 3.837 2.982 4.567 0.067 18 0 "[ . 1 . 2]" 1
678 1 38 LEU H 1 61 LEU H 4.500 . 4.500 3.603 3.108 3.776 . 0 0 "[ . 1 . 2]" 1
679 1 61 LEU H 1 62 GLU H 5.500 . 5.500 4.476 4.436 4.509 . 0 0 "[ . 1 . 2]" 1
680 1 26 PHE QD 1 61 LEU H 5.500 . 5.500 4.818 4.410 5.588 0.088 6 0 "[ . 1 . 2]" 1
681 1 39 ILE HA 1 61 LEU H 4.500 . 4.500 3.649 3.315 4.056 . 0 0 "[ . 1 . 2]" 1
682 1 60 ARG HA 1 61 LEU H 3.500 . 3.500 2.136 2.085 2.165 . 0 0 "[ . 1 . 2]" 1
683 1 61 LEU H 1 61 LEU HG 4.500 . 4.500 2.264 2.134 2.442 . 0 0 "[ . 1 . 2]" 1
684 1 39 ILE MG 1 61 LEU H 5.500 . 5.500 5.255 4.546 5.583 0.083 6 0 "[ . 1 . 2]" 1
685 1 39 ILE MD 1 61 LEU H 5.500 . 5.500 5.546 5.470 5.598 0.098 7 0 "[ . 1 . 2]" 1
686 1 61 LEU H 1 61 LEU MD2 4.500 . 4.500 2.530 2.333 2.630 . 0 0 "[ . 1 . 2]" 1
687 1 61 LEU H 1 61 LEU MD1 5.500 . 5.500 3.882 3.790 4.003 . 0 0 "[ . 1 . 2]" 1
688 1 124 ASN H 1 125 LYS H 5.500 . 5.500 3.955 3.668 4.039 . 0 0 "[ . 1 . 2]" 1
689 1 123 ILE HA 1 124 ASN H 3.500 . 3.500 2.076 2.055 2.125 . 0 0 "[ . 1 . 2]" 1
690 1 123 ILE MD 1 124 ASN H 5.500 . 5.500 5.156 5.100 5.251 . 0 0 "[ . 1 . 2]" 1
691 1 78 LEU H 1 106 CYS H 5.500 . 5.500 4.515 4.135 4.906 . 0 0 "[ . 1 . 2]" 1
692 1 79 ASN HA 1 106 CYS H 4.500 . 4.500 2.676 2.329 3.299 . 0 0 "[ . 1 . 2]" 1
693 1 105 LEU HA 1 106 CYS H 3.500 . 3.500 2.144 2.112 2.166 . 0 0 "[ . 1 . 2]" 1
694 1 105 LEU HG 1 106 CYS H 5.500 . 5.500 3.675 3.000 4.867 . 0 0 "[ . 1 . 2]" 1
695 1 104 ILE MD 1 106 CYS H 4.500 . 4.500 4.277 3.425 4.585 0.085 17 0 "[ . 1 . 2]" 1
696 1 105 LEU MD1 1 106 CYS H 5.500 . 5.500 2.863 1.921 3.438 . 0 0 "[ . 1 . 2]" 1
697 1 105 LEU MD2 1 106 CYS H 5.500 . 5.500 4.351 3.532 4.786 . 0 0 "[ . 1 . 2]" 1
698 1 94 ASP HA 1 97 THR H 4.500 . 4.500 3.625 3.508 3.956 . 0 0 "[ . 1 . 2]" 1
699 1 97 THR H 1 97 THR MG 3.500 . 3.500 2.545 2.454 2.699 . 0 0 "[ . 1 . 2]" 1
700 1 96 ILE MD 1 97 THR H 4.500 . 4.500 3.236 2.947 3.415 . 0 0 "[ . 1 . 2]" 1
701 1 26 PHE H 1 121 GLN H 5.500 . 5.500 4.941 4.546 5.355 . 0 0 "[ . 1 . 2]" 1
702 1 11 PHE QE 1 121 GLN H 5.500 . 5.500 5.115 4.685 5.508 0.008 3 0 "[ . 1 . 2]" 1
703 1 26 PHE QD 1 121 GLN H 5.500 . 5.500 4.600 3.588 5.537 0.037 7 0 "[ . 1 . 2]" 1
704 1 120 ALA HA 1 121 GLN H 3.500 . 3.500 2.200 2.145 2.277 . 0 0 "[ . 1 . 2]" 1
705 1 23 TYR HA 1 121 GLN H 5.500 . 5.500 5.054 4.694 5.417 . 0 0 "[ . 1 . 2]" 1
706 1 120 ALA MB 1 121 GLN H 3.500 . 3.500 2.956 2.643 3.115 . 0 0 "[ . 1 . 2]" 1
707 1 109 ILE MD 1 121 GLN H 5.500 . 5.500 4.534 4.377 4.746 . 0 0 "[ . 1 . 2]" 1
708 1 88 ARG H 1 89 PHE H 4.500 . 4.500 3.519 3.293 3.704 . 0 0 "[ . 1 . 2]" 1
709 1 86 ASP HA 1 88 ARG H 5.500 . 5.500 4.186 3.958 4.493 . 0 0 "[ . 1 . 2]" 1
710 1 67 ILE MG 1 88 ARG H 5.500 . 5.500 4.654 4.462 4.833 . 0 0 "[ . 1 . 2]" 1
711 1 24 SER H 1 25 LEU H 5.500 . 5.500 4.406 4.307 4.466 . 0 0 "[ . 1 . 2]" 1
712 1 23 TYR QD 1 24 SER H 4.500 . 4.500 3.632 2.797 4.071 . 0 0 "[ . 1 . 2]" 1
713 1 23 TYR HA 1 24 SER H 3.500 . 3.500 2.250 2.168 2.341 . 0 0 "[ . 1 . 2]" 1
714 1 24 SER H 1 122 ALA HA 4.500 . 4.500 3.557 3.336 3.878 . 0 0 "[ . 1 . 2]" 1
715 1 24 SER H 1 104 ILE MD 5.500 . 5.500 5.588 5.561 5.608 0.108 18 0 "[ . 1 . 2]" 1
716 1 24 SER H 1 122 ALA MB 5.500 . 5.500 4.132 3.890 4.347 . 0 0 "[ . 1 . 2]" 1
717 1 119 VAL HA 1 120 ALA H 3.500 . 3.500 2.275 2.217 2.341 . 0 0 "[ . 1 . 2]" 1
718 1 120 ALA H 1 120 ALA MB 3.500 . 3.500 2.413 2.358 2.486 . 0 0 "[ . 1 . 2]" 1
719 1 109 ILE MD 1 120 ALA H 3.500 . 3.500 3.416 3.224 3.517 0.017 20 0 "[ . 1 . 2]" 1
720 1 81 LYS H 1 132 THR MG 5.500 . 5.500 3.952 3.331 4.426 . 0 0 "[ . 1 . 2]" 1
721 1 80 ILE MD 1 81 LYS H 4.500 . 4.500 3.444 3.258 3.702 . 0 0 "[ . 1 . 2]" 1
722 1 106 CYS HA 1 107 MET H 3.500 . 3.500 2.113 2.093 2.135 . 0 0 "[ . 1 . 2]" 1
723 1 107 MET H 1 120 ALA MB 5.500 . 5.500 3.740 3.140 4.342 . 0 0 "[ . 1 . 2]" 1
724 1 110 LYS HA 1 117 VAL H 5.500 . 5.500 2.646 2.472 3.161 . 0 0 "[ . 1 . 2]" 1
725 1 116 VAL HB 1 117 VAL H 5.500 . 5.500 3.753 3.566 4.018 . 0 0 "[ . 1 . 2]" 1
726 1 117 VAL H 1 117 VAL MG2 4.500 . 4.500 2.160 2.019 2.347 . 0 0 "[ . 1 . 2]" 1
727 1 40 SER H 1 59 ILE H 4.500 . 4.500 3.752 3.490 3.930 . 0 0 "[ . 1 . 2]" 1
728 1 26 PHE QE 1 40 SER H 5.500 . 5.500 5.179 4.795 5.518 0.018 7 0 "[ . 1 . 2]" 1
729 1 39 ILE HA 1 40 SER H 3.500 . 3.500 2.106 2.071 2.145 . 0 0 "[ . 1 . 2]" 1
730 1 40 SER H 1 60 ARG HA 4.500 . 4.500 3.589 3.041 3.894 . 0 0 "[ . 1 . 2]" 1
731 1 26 PHE HA 1 40 SER H 5.500 . 5.500 4.102 3.731 4.442 . 0 0 "[ . 1 . 2]" 1
732 1 39 ILE HB 1 40 SER H 4.500 . 4.500 4.362 4.213 4.478 . 0 0 "[ . 1 . 2]" 1
733 1 38 LEU HB2 1 40 SER H 5.500 . 5.500 5.593 5.567 5.612 0.112 11 0 "[ . 1 . 2]" 1
734 1 39 ILE MG 1 40 SER H 4.500 . 4.500 3.002 2.673 3.239 . 0 0 "[ . 1 . 2]" 1
735 1 40 SER H 1 59 ILE MD 5.500 . 5.500 3.082 2.837 3.340 . 0 0 "[ . 1 . 2]" 1
736 1 40 SER H 1 59 ILE HG12 5.500 . 5.500 5.481 5.370 5.555 0.055 15 0 "[ . 1 . 2]" 1
737 1 37 PHE QD 1 38 LEU H 4.500 . 4.500 3.914 3.742 4.040 . 0 0 "[ . 1 . 2]" 1
738 1 37 PHE HA 1 38 LEU H 4.500 . 4.500 2.413 2.365 2.476 . 0 0 "[ . 1 . 2]" 1
739 1 38 LEU H 1 38 LEU HG 4.500 . 4.500 3.082 2.891 3.458 . 0 0 "[ . 1 . 2]" 1
740 1 38 LEU HB2 1 39 ILE H 4.500 . 4.500 4.061 3.866 4.176 . 0 0 "[ . 1 . 2]" 1
741 1 44 ASP H 1 45 VAL H 4.500 . 4.500 3.438 3.119 3.631 . 0 0 "[ . 1 . 2]" 1
742 1 24 SER HB3 1 44 ASP H 5.500 . 5.500 4.865 3.403 5.535 0.035 3 0 "[ . 1 . 2]" 1
743 1 43 PHE HA 1 44 ASP H 3.500 . 3.500 2.164 2.124 2.269 . 0 0 "[ . 1 . 2]" 1
744 1 24 SER HB2 1 44 ASP H 5.500 . 5.500 4.164 3.421 5.503 0.003 17 0 "[ . 1 . 2]" 1
745 1 137 ASP H 1 139 LYS H 5.500 . 5.500 4.167 4.117 4.221 . 0 0 "[ . 1 . 2]" 1
746 1 136 LYS HB3 1 137 ASP H 4.500 . 4.500 3.397 2.727 3.831 . 0 0 "[ . 1 . 2]" 1
747 1 136 LYS HB2 1 137 ASP H 4.500 . 4.500 3.203 2.794 3.752 . 0 0 "[ . 1 . 2]" 1
748 1 27 LEU H 1 39 ILE H 4.500 . 4.500 3.271 2.971 3.585 . 0 0 "[ . 1 . 2]" 1
749 1 38 LEU HA 1 39 ILE H 3.500 . 3.500 2.168 2.118 2.237 . 0 0 "[ . 1 . 2]" 1
750 1 26 PHE HA 1 39 ILE H 5.500 . 5.500 4.443 4.216 4.784 . 0 0 "[ . 1 . 2]" 1
751 1 39 ILE H 1 39 ILE HB 3.500 . 3.500 2.919 2.800 3.104 . 0 0 "[ . 1 . 2]" 1
752 1 134 THR MG 1 135 GLU H 3.500 . 3.500 1.834 1.779 2.606 0.021 6 0 "[ . 1 . 2]" 1
753 1 39 ILE H 1 39 ILE MG 4.500 . 4.500 3.943 3.814 4.044 . 0 0 "[ . 1 . 2]" 1
754 1 39 ILE H 1 39 ILE MD 5.500 . 5.500 4.138 3.685 4.499 . 0 0 "[ . 1 . 2]" 1
755 1 42 LEU HA 1 43 PHE H 3.500 . 3.500 2.164 2.145 2.189 . 0 0 "[ . 1 . 2]" 1
756 1 43 PHE H 1 54 ALA HA 4.500 . 4.500 3.050 2.607 3.383 . 0 0 "[ . 1 . 2]" 1
757 1 43 PHE H 1 55 SER HA 5.500 . 5.500 4.114 3.960 4.383 . 0 0 "[ . 1 . 2]" 1
758 1 43 PHE H 1 54 ALA MB 3.500 . 3.500 2.559 1.787 3.157 0.013 16 0 "[ . 1 . 2]" 1
759 1 110 LYS HB3 1 116 VAL H 4.500 . 4.500 4.197 3.544 4.524 0.024 3 0 "[ . 1 . 2]" 1
760 1 115 GLU HA 1 116 VAL H 3.500 . 3.500 2.663 2.142 3.491 . 0 0 "[ . 1 . 2]" 1
761 1 115 GLU H 1 116 VAL H 4.500 . 4.500 3.612 2.217 4.460 . 0 0 "[ . 1 . 2]" 1
762 1 105 LEU H 1 141 PHE QE 5.500 . 5.500 5.318 4.794 5.524 0.024 16 0 "[ . 1 . 2]" 1
763 1 104 ILE HA 1 105 LEU H 3.500 . 3.500 2.145 2.092 2.290 . 0 0 "[ . 1 . 2]" 1
764 1 105 LEU H 1 122 ALA MB 4.500 . 4.500 3.721 3.424 3.909 . 0 0 "[ . 1 . 2]" 1
765 1 105 LEU H 1 122 ALA HA 5.500 . 5.500 5.519 5.461 5.590 0.090 14 0 "[ . 1 . 2]" 1
766 1 134 THR HA 1 135 GLU H 3.500 . 3.500 2.486 2.413 2.638 . 0 0 "[ . 1 . 2]" 1
767 1 134 THR HB 1 135 GLU H 3.500 . 3.500 2.990 2.552 3.204 . 0 0 "[ . 1 . 2]" 1
768 1 135 GLU H 1 136 LYS H 4.500 . 4.500 2.518 2.492 2.579 . 0 0 "[ . 1 . 2]" 1
769 1 18 ILE MG 1 141 PHE H 4.500 . 4.500 4.496 4.347 4.535 0.035 18 0 "[ . 1 . 2]" 1
770 1 138 GLU HA 1 141 PHE H 5.500 . 5.500 3.667 3.529 3.799 . 0 0 "[ . 1 . 2]" 1
771 1 141 PHE H 1 141 PHE QE 5.500 . 5.500 5.268 5.036 5.491 . 0 0 "[ . 1 . 2]" 1
772 1 125 LYS HA 1 126 LYS H 3.500 . 3.500 2.135 2.119 2.180 . 0 0 "[ . 1 . 2]" 1
773 1 126 LYS H 1 126 LYS HE3 5.500 . 5.500 5.175 3.904 5.547 0.047 2 0 "[ . 1 . 2]" 1
774 1 126 LYS H 1 126 LYS HE2 5.500 . 5.500 5.263 4.830 5.525 0.025 5 0 "[ . 1 . 2]" 1
775 1 90 ASN H 1 91 ALA MB 5.500 . 5.500 5.318 5.181 5.454 . 0 0 "[ . 1 . 2]" 1
776 1 29 CYS H 1 36 LYS HD3 5.500 . 5.500 5.056 4.296 5.322 . 0 0 "[ . 1 . 2]" 1
777 1 28 VAL HA 1 29 CYS H 3.500 . 3.500 2.142 2.122 2.175 . 0 0 "[ . 1 . 2]" 1
778 1 29 CYS H 1 30 GLU HA 5.500 . 5.500 4.925 4.873 4.986 . 0 0 "[ . 1 . 2]" 1
779 1 29 CYS H 1 36 LYS HA 5.500 . 5.500 5.125 4.828 5.385 . 0 0 "[ . 1 . 2]" 1
780 1 29 CYS H 1 37 PHE HA 5.500 . 5.500 5.271 5.039 5.367 . 0 0 "[ . 1 . 2]" 1
781 1 67 ILE H 1 90 ASN H 5.500 . 5.500 4.148 3.882 4.366 . 0 0 "[ . 1 . 2]" 1
782 1 23 TYR H 1 45 VAL H 4.500 . 4.500 2.375 2.128 2.638 . 0 0 "[ . 1 . 2]" 1
783 1 23 TYR QD 1 45 VAL H 5.500 . 5.500 4.801 4.343 5.519 0.019 10 0 "[ . 1 . 2]" 1
784 1 22 ARG HA 1 45 VAL H 5.500 . 5.500 3.799 3.526 4.376 . 0 0 "[ . 1 . 2]" 1
785 1 45 VAL H 1 54 ALA MB 5.500 . 5.500 5.014 4.584 5.266 . 0 0 "[ . 1 . 2]" 1
786 1 45 VAL H 1 45 VAL MG2 3.500 . 3.500 2.296 2.129 2.612 . 0 0 "[ . 1 . 2]" 1
787 1 45 VAL H 1 45 VAL MG1 4.500 . 4.500 3.894 3.857 3.955 . 0 0 "[ . 1 . 2]" 1
788 1 52 GLU H 1 54 ALA H 5.500 . 5.500 4.014 3.886 4.264 . 0 0 "[ . 1 . 2]" 1
789 1 52 GLU H 1 53 GLU H 4.500 . 4.500 2.700 2.549 2.798 . 0 0 "[ . 1 . 2]" 1
790 1 52 GLU H 1 52 GLU HG3 5.500 . 5.500 4.151 4.040 4.191 . 0 0 "[ . 1 . 2]" 1
791 1 52 GLU H 1 52 GLU HG2 5.500 . 5.500 4.551 4.535 4.558 . 0 0 "[ . 1 . 2]" 1
792 1 52 GLU H 1 52 GLU HB3 3.500 . 3.500 2.900 2.868 2.981 . 0 0 "[ . 1 . 2]" 1
793 1 52 GLU H 1 52 GLU HB2 3.500 . 3.500 2.212 2.149 2.244 . 0 0 "[ . 1 . 2]" 1
794 1 51 LEU HB3 1 52 GLU H 3.500 . 3.500 2.644 2.548 2.741 . 0 0 "[ . 1 . 2]" 1
795 1 51 LEU HB2 1 52 GLU H 3.500 . 3.500 3.579 3.444 3.631 0.131 4 0 "[ . 1 . 2]" 1
796 1 51 LEU MD1 1 52 GLU H 5.500 . 5.500 4.604 3.935 4.848 . 0 0 "[ . 1 . 2]" 1
797 1 51 LEU MD2 1 52 GLU H 5.500 . 5.500 4.485 3.733 4.852 . 0 0 "[ . 1 . 2]" 1
798 1 109 ILE MG 1 110 LYS H 3.500 . 3.500 2.954 2.790 3.055 . 0 0 "[ . 1 . 2]" 1
799 1 110 LYS H 1 110 LYS HG3 4.500 . 4.500 3.599 3.453 3.754 . 0 0 "[ . 1 . 2]" 1
800 1 110 LYS H 1 110 LYS HG2 4.500 . 4.500 2.833 2.530 4.548 0.048 17 0 "[ . 1 . 2]" 1
801 1 109 ILE HA 1 110 LYS H 3.500 . 3.500 2.154 2.146 2.166 . 0 0 "[ . 1 . 2]" 1
802 1 110 LYS H 1 117 VAL H 5.500 . 5.500 4.895 4.732 5.424 . 0 0 "[ . 1 . 2]" 1
803 1 109 ILE H 1 110 LYS H 5.500 . 5.500 4.329 4.263 4.420 . 0 0 "[ . 1 . 2]" 1
804 1 110 LYS H 1 111 ASN H 5.500 . 5.500 4.434 4.372 4.460 . 0 0 "[ . 1 . 2]" 1
805 1 99 TYR QE 1 123 ILE H 5.500 . 5.500 5.507 5.480 5.526 0.026 9 0 "[ . 1 . 2]" 1
806 1 23 TYR HA 1 123 ILE H 5.500 . 5.500 3.803 3.451 4.125 . 0 0 "[ . 1 . 2]" 1
807 1 122 ALA HA 1 123 ILE H 3.500 . 3.500 2.170 2.146 2.179 . 0 0 "[ . 1 . 2]" 1
808 1 20 ALA MB 1 123 ILE H 5.500 . 5.500 4.736 4.359 5.106 . 0 0 "[ . 1 . 2]" 1
809 1 123 ILE H 1 123 ILE MD 4.500 . 4.500 2.098 1.816 2.424 . 0 0 "[ . 1 . 2]" 1
810 1 122 ALA MB 1 123 ILE H 3.500 . 3.500 3.256 3.231 3.270 . 0 0 "[ . 1 . 2]" 1
811 1 49 SER H 1 50 THR H 5.500 . 5.500 4.487 4.434 4.515 . 0 0 "[ . 1 . 2]" 1
812 1 50 THR H 1 50 THR HB 3.500 . 3.500 3.091 2.862 3.634 0.134 7 0 "[ . 1 . 2]" 1
813 1 50 THR H 1 50 THR MG 3.500 . 3.500 2.115 1.977 2.479 . 0 0 "[ . 1 . 2]" 1
814 1 80 ILE H 1 104 ILE H 5.500 . 5.500 4.012 3.747 4.324 . 0 0 "[ . 1 . 2]" 1
815 1 104 ILE H 1 105 LEU H 5.500 . 5.500 4.265 4.157 4.446 . 0 0 "[ . 1 . 2]" 1
816 1 103 SER HA 1 104 ILE H 3.500 . 3.500 2.214 2.197 2.235 . 0 0 "[ . 1 . 2]" 1
817 1 80 ILE HB 1 104 ILE H 5.500 . 5.500 3.537 3.169 4.003 . 0 0 "[ . 1 . 2]" 1
818 1 104 ILE H 1 132 THR MG 4.500 . 4.500 3.799 2.917 4.512 0.012 8 0 "[ . 1 . 2]" 1
819 1 104 ILE H 1 104 ILE MD 5.500 . 5.500 4.586 4.344 4.856 . 0 0 "[ . 1 . 2]" 1
820 1 47 GLU HG3 1 48 GLY H 5.500 . 5.500 4.590 3.268 5.216 . 0 0 "[ . 1 . 2]" 1
821 1 47 GLU HG2 1 48 GLY H 5.500 . 5.500 4.248 3.285 5.289 . 0 0 "[ . 1 . 2]" 1
822 1 50 THR HA 1 51 LEU H 3.500 . 3.500 2.515 2.458 2.603 . 0 0 "[ . 1 . 2]" 1
823 1 51 LEU H 1 51 LEU MD1 4.500 . 4.500 3.968 3.782 4.312 . 0 0 "[ . 1 . 2]" 1
824 1 51 LEU H 1 51 LEU MD2 4.500 . 4.500 4.176 3.740 4.360 . 0 0 "[ . 1 . 2]" 1
825 1 105 LEU H 1 122 ALA H 4.500 . 4.500 3.486 3.306 3.815 . 0 0 "[ . 1 . 2]" 1
826 1 121 GLN HA 1 122 ALA H 3.500 . 3.500 2.204 2.165 2.244 . 0 0 "[ . 1 . 2]" 1
827 1 121 GLN HB3 1 122 ALA H 5.500 . 5.500 3.084 2.833 3.760 . 0 0 "[ . 1 . 2]" 1
828 1 121 GLN HB2 1 122 ALA H 5.500 . 5.500 4.185 3.886 4.429 . 0 0 "[ . 1 . 2]" 1
829 1 122 ALA H 1 122 ALA MB 3.500 . 3.500 2.568 2.441 2.684 . 0 0 "[ . 1 . 2]" 1
830 1 104 ILE MD 1 122 ALA H 4.500 . 4.500 2.047 1.786 2.859 0.014 13 0 "[ . 1 . 2]" 1
831 1 122 ALA H 1 123 ILE MG 5.500 . 5.500 4.245 4.095 4.472 . 0 0 "[ . 1 . 2]" 1
832 1 66 GLY H 1 67 ILE H 5.500 . 5.500 4.339 4.286 4.429 . 0 0 "[ . 1 . 2]" 1
833 1 66 GLY H 1 69 GLY HA3 5.500 . 5.500 3.154 3.028 3.327 . 0 0 "[ . 1 . 2]" 1
834 1 65 LYS HG3 1 66 GLY H 5.500 . 5.500 4.525 4.230 5.013 . 0 0 "[ . 1 . 2]" 1
835 1 65 LYS HG2 1 66 GLY H 5.500 . 5.500 4.493 4.060 4.854 . 0 0 "[ . 1 . 2]" 1
836 1 63 TRP H 1 64 ASN H 5.500 . 5.500 4.566 4.522 4.611 . 0 0 "[ . 1 . 2]" 1
837 1 37 PHE QD 1 63 TRP H 5.500 . 5.500 5.279 5.030 5.438 . 0 0 "[ . 1 . 2]" 1
838 1 37 PHE HA 1 63 TRP H 5.500 . 5.500 2.563 2.371 2.759 . 0 0 "[ . 1 . 2]" 1
839 1 62 GLU HA 1 63 TRP H 3.500 . 3.500 2.373 2.346 2.400 . 0 0 "[ . 1 . 2]" 1
840 1 62 GLU HG3 1 63 TRP H 5.500 . 5.500 4.886 4.619 4.992 . 0 0 "[ . 1 . 2]" 1
841 1 62 GLU HG2 1 63 TRP H 5.500 . 5.500 4.845 3.989 5.039 . 0 0 "[ . 1 . 2]" 1
842 1 62 GLU HB2 1 63 TRP H 4.500 . 4.500 3.498 2.480 3.753 . 0 0 "[ . 1 . 2]" 1
843 1 62 GLU HB3 1 63 TRP H 4.500 . 4.500 2.607 2.465 3.408 . 0 0 "[ . 1 . 2]" 1
844 1 24 SER HB2 1 25 LEU H 4.500 . 4.500 3.718 2.770 4.199 . 0 0 "[ . 1 . 2]" 1
845 1 24 SER HA 1 25 LEU H 3.500 . 3.500 2.235 2.171 2.303 . 0 0 "[ . 1 . 2]" 1
846 1 24 SER HB3 1 25 LEU H 4.500 . 4.500 3.828 3.439 4.121 . 0 0 "[ . 1 . 2]" 1
847 1 25 LEU H 1 26 PHE HA 5.500 . 5.500 4.860 4.729 5.050 . 0 0 "[ . 1 . 2]" 1
848 1 25 LEU H 1 43 PHE QD 5.500 . 5.500 5.357 4.804 5.545 0.045 10 0 "[ . 1 . 2]" 1
849 1 11 PHE QE 1 25 LEU H 5.500 . 5.500 5.295 4.448 5.549 0.049 12 0 "[ . 1 . 2]" 1
850 1 25 LEU H 1 121 GLN H 5.500 . 5.500 5.371 4.926 5.540 0.040 3 0 "[ . 1 . 2]" 1
851 1 77 PRO HA 1 78 LEU H 3.500 . 3.500 2.154 2.116 2.198 . 0 0 "[ . 1 . 2]" 1
852 1 71 VAL HA 1 78 LEU H 5.500 . 5.500 5.517 5.388 5.555 0.055 4 0 "[ . 1 . 2]" 1
853 1 77 PRO HD3 1 78 LEU H 5.500 . 5.500 5.569 5.515 5.613 0.113 11 0 "[ . 1 . 2]" 1
854 1 77 PRO HB3 1 78 LEU H 4.500 . 4.500 3.999 3.841 4.153 . 0 0 "[ . 1 . 2]" 1
855 1 77 PRO HB2 1 78 LEU H 4.500 . 4.500 4.068 3.981 4.180 . 0 0 "[ . 1 . 2]" 1
856 1 78 LEU H 1 78 LEU HG 5.500 . 5.500 4.525 3.839 4.851 . 0 0 "[ . 1 . 2]" 1
857 1 71 VAL MG2 1 78 LEU H 4.500 . 4.500 4.225 3.239 4.550 0.050 7 0 "[ . 1 . 2]" 1
858 1 71 VAL MG1 1 78 LEU H 4.500 . 4.500 2.594 2.424 3.092 . 0 0 "[ . 1 . 2]" 1
859 1 31 ASP H 1 34 LYS H 5.500 . 5.500 4.792 4.753 4.832 . 0 0 "[ . 1 . 2]" 1
860 1 31 ASP H 1 35 ASP H 4.500 . 4.500 3.017 2.939 3.124 . 0 0 "[ . 1 . 2]" 1
861 1 31 ASP H 1 37 PHE QD 5.500 . 5.500 4.378 4.042 4.729 . 0 0 "[ . 1 . 2]" 1
862 1 30 GLU HA 1 31 ASP H 3.500 . 3.500 2.301 2.287 2.309 . 0 0 "[ . 1 . 2]" 1
863 1 31 ASP H 1 34 LYS HA 5.500 . 5.500 5.032 4.930 5.135 . 0 0 "[ . 1 . 2]" 1
864 1 31 ASP H 1 35 ASP HB2 5.500 . 5.500 4.672 4.314 4.896 . 0 0 "[ . 1 . 2]" 1
865 1 30 GLU HB2 1 31 ASP H 3.500 . 3.500 2.729 2.658 2.849 . 0 0 "[ . 1 . 2]" 1
866 1 30 GLU HB3 1 31 ASP H 4.500 . 4.500 3.492 3.294 3.584 . 0 0 "[ . 1 . 2]" 1
867 1 31 ASP H 1 36 LYS HG3 5.500 . 5.500 4.944 4.485 5.157 . 0 0 "[ . 1 . 2]" 1
868 1 145 LEU H 1 145 LEU HG 5.500 . 5.500 2.044 1.778 2.178 0.022 11 0 "[ . 1 . 2]" 1
869 1 29 CYS HA 1 37 PHE H 5.500 . 5.500 4.950 4.899 4.998 . 0 0 "[ . 1 . 2]" 1
870 1 28 VAL HA 1 37 PHE H 5.500 . 5.500 5.309 5.096 5.456 . 0 0 "[ . 1 . 2]" 1
871 1 29 CYS HB2 1 37 PHE H 5.500 . 5.500 3.798 3.724 4.034 . 0 0 "[ . 1 . 2]" 1
872 1 30 GLU HB2 1 37 PHE H 5.500 . 5.500 5.452 5.263 5.517 0.017 2 0 "[ . 1 . 2]" 1
873 1 37 PHE H 1 38 LEU HG 5.500 . 5.500 5.026 4.961 5.154 . 0 0 "[ . 1 . 2]" 1
874 1 29 CYS HB3 1 37 PHE H 5.500 . 5.500 4.505 4.427 4.635 . 0 0 "[ . 1 . 2]" 1
875 1 36 LYS HG3 1 37 PHE H 3.500 . 3.500 2.575 2.389 2.748 . 0 0 "[ . 1 . 2]" 1
876 1 36 LYS HG2 1 37 PHE H 5.500 . 5.500 2.967 2.521 3.082 . 0 0 "[ . 1 . 2]" 1
877 1 36 LYS HB2 1 37 PHE H 4.500 . 4.500 4.107 4.016 4.146 . 0 0 "[ . 1 . 2]" 1
878 1 37 PHE H 1 37 PHE QD 3.500 . 3.500 2.617 2.351 3.196 . 0 0 "[ . 1 . 2]" 1
879 1 36 LYS H 1 37 PHE H 5.500 . 5.500 4.438 4.397 4.498 . 0 0 "[ . 1 . 2]" 1
880 1 30 GLU H 1 37 PHE H 5.500 . 5.500 4.813 4.751 4.854 . 0 0 "[ . 1 . 2]" 1
881 1 29 CYS H 1 37 PHE H 4.500 . 4.500 3.535 3.377 3.710 . 0 0 "[ . 1 . 2]" 1
882 1 97 THR H 1 98 GLY H 4.500 . 4.500 2.402 2.388 2.410 . 0 0 "[ . 1 . 2]" 1
883 1 98 GLY H 1 99 TYR H 3.500 . 3.500 2.967 2.875 3.037 . 0 0 "[ . 1 . 2]" 1
884 1 97 THR HB 1 98 GLY H 4.500 . 4.500 3.944 3.863 3.986 . 0 0 "[ . 1 . 2]" 1
885 1 95 GLN HA 1 98 GLY H 4.500 . 4.500 4.256 4.177 4.374 . 0 0 "[ . 1 . 2]" 1
886 1 98 GLY H 1 99 TYR HB2 5.500 . 5.500 5.245 5.170 5.422 . 0 0 "[ . 1 . 2]" 1
887 1 97 THR MG 1 98 GLY H 4.500 . 4.500 4.134 4.091 4.204 . 0 0 "[ . 1 . 2]" 1
888 1 96 ILE MG 1 98 GLY H 5.500 . 5.500 5.515 5.498 5.525 0.025 5 0 "[ . 1 . 2]" 1
889 1 2 ASP HA 1 3 VAL H 3.500 . 3.500 2.357 2.107 3.550 0.050 9 0 "[ . 1 . 2]" 1
890 1 3 VAL H 1 4 THR H 5.500 . 5.500 2.597 1.797 4.456 0.003 11 0 "[ . 1 . 2]" 1
891 1 75 GLY H 1 76 GLU H 4.500 . 4.500 2.396 2.354 2.435 . 0 0 "[ . 1 . 2]" 1
892 1 10 ILE MG 1 11 PHE H 3.500 . 3.500 3.369 1.978 3.704 0.204 14 0 "[ . 1 . 2]" 1
893 1 11 PHE H 1 13 HIS H 5.500 . 5.500 4.280 4.184 4.372 . 0 0 "[ . 1 . 2]" 1
894 1 97 THR HB 1 99 TYR H 4.500 . 4.500 3.273 3.087 3.396 . 0 0 "[ . 1 . 2]" 1
895 1 97 THR MG 1 99 TYR H 5.500 . 5.500 4.514 4.424 4.583 . 0 0 "[ . 1 . 2]" 1
896 1 99 TYR H 1 99 TYR QE 6.500 . 6.500 6.345 6.303 6.369 . 0 0 "[ . 1 . 2]" 1
897 1 97 THR H 1 99 TYR H 5.500 . 5.500 4.492 4.361 4.591 . 0 0 "[ . 1 . 2]" 1
898 1 14 ILE H 1 144 TYR QD 5.500 . 5.500 5.085 4.846 5.316 . 0 0 "[ . 1 . 2]" 1
899 1 11 PHE HA 1 14 ILE H 4.500 . 4.500 3.704 3.614 3.774 . 0 0 "[ . 1 . 2]" 1
900 1 78 LEU HB2 1 79 ASN H 4.500 . 4.500 4.092 3.897 4.310 . 0 0 "[ . 1 . 2]" 1
901 1 78 LEU HB3 1 79 ASN H 4.500 . 4.500 3.356 2.565 3.830 . 0 0 "[ . 1 . 2]" 1
902 1 78 LEU HG 1 79 ASN H 5.500 . 5.500 2.769 1.889 5.044 . 0 0 "[ . 1 . 2]" 1
903 1 78 LEU HA 1 79 ASN H 3.500 . 3.500 2.300 2.176 2.385 . 0 0 "[ . 1 . 2]" 1
904 1 78 LEU H 1 79 ASN H 5.500 . 5.500 4.484 4.405 4.512 . 0 0 "[ . 1 . 2]" 1
905 1 6 LEU H 1 7 CYS H 4.500 . 4.500 2.627 2.411 2.739 . 0 0 "[ . 1 . 2]" 1
906 1 6 LEU HB3 1 7 CYS H 4.500 . 4.500 2.926 2.845 3.136 . 0 0 "[ . 1 . 2]" 1
907 1 6 LEU HB2 1 7 CYS H 3.500 . 3.500 3.539 3.435 3.553 0.053 7 0 "[ . 1 . 2]" 1
908 1 6 LEU MD1 1 7 CYS H 4.500 . 4.500 4.205 4.137 4.426 . 0 0 "[ . 1 . 2]" 1
909 1 47 GLU H 1 47 GLU HG3 5.500 . 5.500 3.558 2.543 4.527 . 0 0 "[ . 1 . 2]" 1
910 1 47 GLU H 1 47 GLU HG2 5.500 . 5.500 3.477 1.912 4.560 . 0 0 "[ . 1 . 2]" 1
911 1 46 ALA MB 1 47 GLU H 3.500 . 3.500 2.338 2.245 2.441 . 0 0 "[ . 1 . 2]" 1
912 1 59 ILE H 1 59 ILE HG12 4.500 . 4.500 3.249 3.153 3.385 . 0 0 "[ . 1 . 2]" 1
913 1 19 SER HA 1 20 ALA H 4.500 . 4.500 2.156 2.144 2.173 . 0 0 "[ . 1 . 2]" 1
914 1 61 LEU MD1 1 62 GLU H 5.500 . 5.500 4.491 4.183 4.734 . 0 0 "[ . 1 . 2]" 1
915 1 71 VAL H 1 71 VAL MG1 4.500 . 4.500 3.110 2.831 3.804 . 0 0 "[ . 1 . 2]" 1
916 1 71 VAL H 1 71 VAL MG2 4.500 . 4.500 1.962 1.802 2.295 . 0 0 "[ . 1 . 2]" 1
917 1 61 LEU HB3 1 62 GLU H 3.500 . 3.500 3.510 3.335 3.560 0.060 11 0 "[ . 1 . 2]" 1
918 1 62 GLU H 1 62 GLU HB3 3.500 . 3.500 3.540 3.076 3.599 0.099 3 0 "[ . 1 . 2]" 1
919 1 62 GLU H 1 62 GLU HG3 3.500 . 3.500 3.488 2.569 3.569 0.069 10 0 "[ . 1 . 2]" 1
920 1 62 GLU H 1 62 GLU HG2 4.500 . 4.500 2.210 1.876 3.919 . 0 0 "[ . 1 . 2]" 1
921 1 61 LEU HA 1 62 GLU H 3.500 . 3.500 2.308 2.263 2.363 . 0 0 "[ . 1 . 2]" 1
922 1 38 LEU H 1 62 GLU H 5.500 . 5.500 4.732 4.576 4.822 . 0 0 "[ . 1 . 2]" 1
923 1 10 ILE H 1 11 PHE QD 5.500 . 5.500 4.187 3.970 4.545 . 0 0 "[ . 1 . 2]" 1
924 1 71 VAL H 1 72 ALA H 3.500 . 3.500 2.373 2.324 2.394 . 0 0 "[ . 1 . 2]" 1
925 1 10 ILE H 1 11 PHE H 3.500 . 3.500 2.375 2.329 2.457 . 0 0 "[ . 1 . 2]" 1
926 1 71 VAL H 1 71 VAL HB 3.500 . 3.500 3.318 2.557 3.561 0.061 20 0 "[ . 1 . 2]" 1
927 1 111 ASN H 1 116 VAL H 5.500 . 5.500 4.251 2.409 5.127 . 0 0 "[ . 1 . 2]" 1
928 1 111 ASN H 1 117 VAL H 5.500 . 5.500 4.385 3.619 4.792 . 0 0 "[ . 1 . 2]" 1
929 1 111 ASN H 1 115 GLU H 4.500 . 4.500 3.968 3.703 4.507 0.007 13 0 "[ . 1 . 2]" 1
930 1 110 LYS HA 1 111 ASN H 3.500 . 3.500 2.364 2.239 2.417 . 0 0 "[ . 1 . 2]" 1
931 1 111 ASN H 1 116 VAL HA 4.500 . 4.500 3.470 2.088 3.972 . 0 0 "[ . 1 . 2]" 1
932 1 110 LYS HB3 1 111 ASN H 4.500 . 4.500 3.741 2.564 3.985 . 0 0 "[ . 1 . 2]" 1
933 1 110 LYS HG2 1 111 ASN H 5.500 . 5.500 4.366 3.325 4.535 . 0 0 "[ . 1 . 2]" 1
934 1 111 ASN H 1 117 VAL MG1 3.500 . 3.500 3.373 3.092 3.511 0.011 10 0 "[ . 1 . 2]" 1
935 1 111 ASN H 1 117 VAL MG2 4.500 . 4.500 3.368 2.952 3.644 . 0 0 "[ . 1 . 2]" 1
936 1 10 ILE H 1 10 ILE HB 3.500 . 3.500 3.486 2.873 3.632 0.132 7 0 "[ . 1 . 2]" 1
937 1 15 HIS HA 1 19 SER H 5.500 . 5.500 4.340 3.858 4.508 . 0 0 "[ . 1 . 2]" 1
938 1 18 ILE HB 1 19 SER H 4.500 . 4.500 4.234 4.207 4.268 . 0 0 "[ . 1 . 2]" 1
939 1 17 LEU HG 1 19 SER H 5.500 . 5.500 5.539 5.529 5.549 0.049 6 0 "[ . 1 . 2]" 1
940 1 18 ILE MD 1 19 SER H 4.500 . 4.500 3.159 3.004 3.294 . 0 0 "[ . 1 . 2]" 1
941 1 73 ALA MB 1 74 PHE H 3.500 . 3.500 2.625 2.584 2.672 . 0 0 "[ . 1 . 2]" 1
942 1 18 ILE H 1 19 SER H 4.500 . 4.500 2.336 2.297 2.387 . 0 0 "[ . 1 . 2]" 1
943 1 74 PHE H 1 75 GLY H 3.500 . 3.500 2.432 2.360 2.507 . 0 0 "[ . 1 . 2]" 1
944 1 59 ILE MD 1 60 ARG H 4.500 . 4.500 4.202 3.882 4.459 . 0 0 "[ . 1 . 2]" 1
945 1 39 ILE MG 1 60 ARG H 5.500 . 5.500 5.126 4.537 5.396 . 0 0 "[ . 1 . 2]" 1
946 1 59 ILE MG 1 60 ARG H 5.500 . 5.500 3.457 3.294 3.775 . 0 0 "[ . 1 . 2]" 1
947 1 60 ARG H 1 60 ARG HD3 5.500 . 5.500 4.706 2.256 5.192 . 0 0 "[ . 1 . 2]" 1
948 1 60 ARG H 1 60 ARG HD2 5.500 . 5.500 4.757 3.333 5.385 . 0 0 "[ . 1 . 2]" 1
949 1 59 ILE HA 1 60 ARG H 3.500 . 3.500 2.186 2.149 2.207 . 0 0 "[ . 1 . 2]" 1
950 1 60 ARG H 1 61 LEU H 5.500 . 5.500 4.242 4.208 4.295 . 0 0 "[ . 1 . 2]" 1
951 1 133 PHE H 1 134 THR H 5.500 . 5.500 4.439 4.284 4.631 . 0 0 "[ . 1 . 2]" 1
952 1 143 GLU H 1 144 TYR H 3.500 . 3.500 2.587 2.502 2.662 . 0 0 "[ . 1 . 2]" 1
953 1 143 GLU H 1 145 LEU H 4.500 . 4.500 4.083 4.000 4.186 . 0 0 "[ . 1 . 2]" 1
954 1 143 GLU H 1 143 GLU HB3 3.500 . 3.500 3.552 3.545 3.558 0.058 11 0 "[ . 1 . 2]" 1
955 1 142 ALA MB 1 143 GLU H 3.500 . 3.500 2.892 2.820 2.910 . 0 0 "[ . 1 . 2]" 1
956 1 33 SER H 1 34 LYS H 4.500 . 4.500 2.739 2.734 2.746 . 0 0 "[ . 1 . 2]" 1
957 1 31 ASP HA 1 34 LYS H 5.500 . 5.500 5.506 5.499 5.516 0.016 11 0 "[ . 1 . 2]" 1
958 1 32 SER HA 1 34 LYS H 5.500 . 5.500 3.362 3.336 3.397 . 0 0 "[ . 1 . 2]" 1
959 1 34 LYS H 1 35 ASP HB3 5.500 . 5.500 5.369 5.313 5.515 0.015 5 0 "[ . 1 . 2]" 1
960 1 142 ALA H 1 142 ALA MB 3.500 . 3.500 2.261 2.254 2.264 . 0 0 "[ . 1 . 2]" 1
961 1 141 PHE HB3 1 142 ALA H 4.500 . 4.500 3.114 2.961 3.228 . 0 0 "[ . 1 . 2]" 1
962 1 141 PHE HB2 1 142 ALA H 4.500 . 4.500 2.968 2.780 3.148 . 0 0 "[ . 1 . 2]" 1
963 1 141 PHE H 1 142 ALA H 4.500 . 4.500 2.498 2.443 2.537 . 0 0 "[ . 1 . 2]" 1
964 1 117 VAL H 1 118 GLY H 3.500 . 3.500 1.910 1.830 2.175 . 0 0 "[ . 1 . 2]" 1
965 1 110 LYS HA 1 118 GLY H 5.500 . 5.500 3.766 3.558 4.079 . 0 0 "[ . 1 . 2]" 1
966 1 117 VAL HB 1 118 GLY H 4.500 . 4.500 3.628 3.349 3.743 . 0 0 "[ . 1 . 2]" 1
967 1 117 VAL MG2 1 118 GLY H 3.500 . 3.500 2.126 1.867 2.352 . 0 0 "[ . 1 . 2]" 1
968 1 70 HIS H 1 71 VAL H 3.500 . 3.500 2.465 2.373 2.535 . 0 0 "[ . 1 . 2]" 1
969 1 65 LYS H 1 70 HIS H 5.500 . 5.500 4.711 4.442 4.877 . 0 0 "[ . 1 . 2]" 1
970 1 70 HIS H 1 73 ALA H 5.500 . 5.500 4.658 4.517 4.726 . 0 0 "[ . 1 . 2]" 1
971 1 14 ILE H 1 15 HIS H 4.500 . 4.500 2.478 2.442 2.627 . 0 0 "[ . 1 . 2]" 1
972 1 15 HIS H 1 23 TYR QE 5.500 . 5.500 3.986 3.583 4.713 . 0 0 "[ . 1 . 2]" 1
973 1 14 ILE HB 1 15 HIS H 4.500 . 4.500 3.856 3.639 3.910 . 0 0 "[ . 1 . 2]" 1
974 1 14 ILE MD 1 15 HIS H 4.500 . 4.500 4.064 3.751 4.157 . 0 0 "[ . 1 . 2]" 1
975 1 21 ASP H 1 124 ASN HB3 4.500 . 4.500 2.260 1.793 4.085 0.007 6 0 "[ . 1 . 2]" 1
976 1 21 ASP H 1 124 ASN HB2 4.500 . 4.500 3.020 2.248 3.397 . 0 0 "[ . 1 . 2]" 1
977 1 20 ALA MB 1 21 ASP H 3.500 . 3.500 2.267 2.064 2.533 . 0 0 "[ . 1 . 2]" 1
978 1 110 LYS HD2 1 114 GLU H 5.500 . 5.500 3.895 3.583 5.111 . 0 0 "[ . 1 . 2]" 1
979 1 110 LYS HG2 1 114 GLU H 5.500 . 5.500 5.594 5.533 5.611 0.111 13 0 "[ . 1 . 2]" 1
980 1 102 GLN H 1 103 SER H 4.500 . 4.500 2.213 2.043 2.410 . 0 0 "[ . 1 . 2]" 1
981 1 103 SER H 1 124 ASN H 5.500 . 5.500 4.275 3.862 4.710 . 0 0 "[ . 1 . 2]" 1
982 1 103 SER H 1 104 ILE H 5.500 . 5.500 4.254 4.241 4.267 . 0 0 "[ . 1 . 2]" 1
983 1 103 SER H 1 125 LYS H 5.500 . 5.500 5.216 4.723 5.495 . 0 0 "[ . 1 . 2]" 1
984 1 101 THR MG 1 103 SER H 4.500 . 4.500 3.340 1.801 3.757 . 0 0 "[ . 1 . 2]" 1
985 1 30 GLU H 1 37 PHE QD 5.500 . 5.500 5.563 5.535 5.600 0.100 13 0 "[ . 1 . 2]" 1
986 1 30 GLU H 1 31 ASP H 4.500 . 4.500 4.410 4.399 4.416 . 0 0 "[ . 1 . 2]" 1
987 1 29 CYS H 1 30 GLU H 5.500 . 5.500 4.281 4.244 4.313 . 0 0 "[ . 1 . 2]" 1
988 1 29 CYS HA 1 30 GLU H 3.500 . 3.500 2.138 2.128 2.156 . 0 0 "[ . 1 . 2]" 1
989 1 29 CYS HB2 1 30 GLU H 4.500 . 4.500 4.199 4.173 4.237 . 0 0 "[ . 1 . 2]" 1
990 1 30 GLU H 1 30 GLU HB3 3.500 . 3.500 3.598 3.543 3.680 0.180 13 0 "[ . 1 . 2]" 1
991 1 29 CYS HB3 1 30 GLU H 4.500 . 4.500 3.174 3.090 3.198 . 0 0 "[ . 1 . 2]" 1
992 1 30 GLU H 1 36 LYS HG3 5.500 . 5.500 4.205 3.911 4.308 . 0 0 "[ . 1 . 2]" 1
993 1 45 VAL MG1 1 49 SER H 5.500 . 5.500 4.814 4.545 5.316 . 0 0 "[ . 1 . 2]" 1
994 1 46 ALA MB 1 49 SER H 4.500 . 4.500 4.403 3.613 4.514 0.014 12 0 "[ . 1 . 2]" 1
995 1 47 GLU HA 1 49 SER H 4.500 . 4.500 3.862 3.426 4.302 . 0 0 "[ . 1 . 2]" 1
996 1 46 ALA H 1 49 SER H 4.500 . 4.500 4.456 4.036 4.524 0.024 3 0 "[ . 1 . 2]" 1
997 1 48 GLY H 1 49 SER H 3.500 . 3.500 2.124 1.897 2.735 . 0 0 "[ . 1 . 2]" 1
998 1 34 LYS HB3 1 35 ASP H 5.500 . 5.500 4.278 4.253 4.330 . 0 0 "[ . 1 . 2]" 1
999 1 34 LYS HB2 1 35 ASP H 5.500 . 5.500 4.519 4.480 4.536 . 0 0 "[ . 1 . 2]" 1
1000 1 35 ASP H 1 36 LYS HB3 5.500 . 5.500 5.611 5.577 5.673 0.173 5 0 "[ . 1 . 2]" 1
1001 1 33 SER HA 1 35 ASP H 5.500 . 5.500 5.500 5.424 5.531 0.031 5 0 "[ . 1 . 2]" 1
1002 1 30 GLU HA 1 35 ASP H 5.500 . 5.500 4.681 4.461 4.768 . 0 0 "[ . 1 . 2]" 1
1003 1 31 ASP HA 1 35 ASP H 5.500 . 5.500 5.229 5.166 5.355 . 0 0 "[ . 1 . 2]" 1
1004 1 35 ASP H 1 36 LYS H 4.500 . 4.500 4.017 3.831 4.103 . 0 0 "[ . 1 . 2]" 1
1005 1 34 LYS H 1 35 ASP H 3.500 . 3.500 2.953 2.905 3.001 . 0 0 "[ . 1 . 2]" 1
1006 1 5 ALA H 1 5 ALA MB 3.500 . 3.500 2.252 2.230 2.258 . 0 0 "[ . 1 . 2]" 1
1007 1 4 THR H 1 5 ALA H 3.500 . 3.500 2.634 1.927 3.391 . 0 0 "[ . 1 . 2]" 1
1008 1 3 VAL H 1 5 ALA H 5.500 . 5.500 3.597 2.309 4.884 . 0 0 "[ . 1 . 2]" 1
1009 1 64 ASN H 1 69 GLY H 5.500 . 5.500 4.606 4.410 4.848 . 0 0 "[ . 1 . 2]" 1
1010 1 63 TRP HA 1 64 ASN H 3.500 . 3.500 2.189 2.155 2.250 . 0 0 "[ . 1 . 2]" 1
1011 1 64 ASN H 1 69 GLY HA2 4.500 . 4.500 2.413 2.194 2.667 . 0 0 "[ . 1 . 2]" 1
1012 1 72 ALA H 1 73 ALA H 4.500 . 4.500 2.540 2.463 2.592 . 0 0 "[ . 1 . 2]" 1
1013 1 69 GLY HA3 1 72 ALA H 4.500 . 4.500 4.537 4.462 4.574 0.074 13 0 "[ . 1 . 2]" 1
1014 1 71 VAL HB 1 72 ALA H 3.500 . 3.500 3.433 2.918 3.620 0.120 7 0 "[ . 1 . 2]" 1
1015 1 6 LEU H 1 6 LEU HB3 3.500 . 3.500 3.018 2.989 3.159 . 0 0 "[ . 1 . 2]" 1
1016 1 71 VAL MG2 1 72 ALA H 4.500 . 4.500 2.670 2.209 3.876 . 0 0 "[ . 1 . 2]" 1
1017 1 71 VAL MG1 1 72 ALA H 4.500 . 4.500 4.121 3.807 4.223 . 0 0 "[ . 1 . 2]" 1
1018 1 85 GLU H 1 86 ASP H 3.500 . 3.500 2.287 2.212 2.365 . 0 0 "[ . 1 . 2]" 1
1019 1 86 ASP H 1 89 PHE H 5.500 . 5.500 5.512 5.502 5.527 0.027 20 0 "[ . 1 . 2]" 1
1020 1 85 GLU HA 1 86 ASP H 3.500 . 3.500 3.118 3.064 3.224 . 0 0 "[ . 1 . 2]" 1
1021 1 84 TYR HA 1 86 ASP H 4.500 . 4.500 3.922 3.806 4.126 . 0 0 "[ . 1 . 2]" 1
1022 1 83 ALA HA 1 86 ASP H 5.500 . 5.500 3.691 3.571 3.921 . 0 0 "[ . 1 . 2]" 1
1023 1 83 ALA MB 1 86 ASP H 5.500 . 5.500 4.586 4.491 4.768 . 0 0 "[ . 1 . 2]" 1
1024 1 145 LEU HA 1 148 CYS H 5.500 . 5.500 3.443 3.298 3.531 . 0 0 "[ . 1 . 2]" 1
1025 1 146 ALA HA 1 148 CYS H 5.500 . 5.500 4.860 4.786 5.042 . 0 0 "[ . 1 . 2]" 1
1026 1 147 PHE H 1 148 CYS H 4.500 . 4.500 2.459 2.411 2.586 . 0 0 "[ . 1 . 2]" 1
1027 1 148 CYS H 1 149 GLY H 4.500 . 4.500 2.455 2.425 2.474 . 0 0 "[ . 1 . 2]" 1
1028 1 11 PHE QD 1 23 TYR H 5.500 . 5.500 5.330 5.046 5.523 0.023 8 0 "[ . 1 . 2]" 1
1029 1 22 ARG HA 1 23 TYR H 4.500 . 4.500 2.250 2.198 2.354 . 0 0 "[ . 1 . 2]" 1
1030 1 23 TYR H 1 45 VAL HB 4.500 . 4.500 3.047 2.476 3.809 . 0 0 "[ . 1 . 2]" 1
1031 1 23 TYR H 1 45 VAL MG2 5.500 . 5.500 3.539 3.129 4.081 . 0 0 "[ . 1 . 2]" 1
1032 1 23 TYR H 1 45 VAL MG1 5.500 . 5.500 4.517 4.121 5.064 . 0 0 "[ . 1 . 2]" 1
1033 1 23 TYR H 1 122 ALA MB 5.500 . 5.500 5.264 4.924 5.508 0.008 20 0 "[ . 1 . 2]" 1
1034 1 17 LEU HB2 1 18 ILE H 4.500 . 4.500 3.610 3.566 3.665 . 0 0 "[ . 1 . 2]" 1
1035 1 17 LEU HB3 1 18 ILE H 4.500 . 4.500 2.305 2.272 2.359 . 0 0 "[ . 1 . 2]" 1
1036 1 18 ILE H 1 18 ILE MD 4.500 . 4.500 3.073 2.851 3.189 . 0 0 "[ . 1 . 2]" 1
1037 1 18 ILE H 1 19 SER HA 5.500 . 5.500 4.479 4.414 4.552 . 0 0 "[ . 1 . 2]" 1
1038 1 136 LYS H 1 137 ASP H 5.500 . 5.500 2.436 2.396 2.543 . 0 0 "[ . 1 . 2]" 1
1039 1 134 THR HA 1 136 LYS H 5.500 . 5.500 4.267 4.177 4.463 . 0 0 "[ . 1 . 2]" 1
1040 1 134 THR HB 1 136 LYS H 3.500 . 3.500 2.552 2.193 3.009 . 0 0 "[ . 1 . 2]" 1
1041 1 134 THR MG 1 136 LYS H 3.500 . 3.500 2.699 2.399 3.527 0.027 12 0 "[ . 1 . 2]" 1
1042 1 54 ALA H 1 54 ALA MB 3.500 . 3.500 2.331 2.285 2.377 . 0 0 "[ . 1 . 2]" 1
1043 1 51 LEU HA 1 54 ALA H 4.500 . 4.500 3.352 3.127 3.753 . 0 0 "[ . 1 . 2]" 1
1044 1 52 GLU HA 1 54 ALA H 4.500 . 4.500 3.965 3.745 4.160 . 0 0 "[ . 1 . 2]" 1
1045 1 53 GLU H 1 54 ALA H 3.500 . 3.500 2.404 2.325 2.594 . 0 0 "[ . 1 . 2]" 1
1046 1 96 ILE H 1 97 THR H 3.500 . 3.500 2.453 2.427 2.498 . 0 0 "[ . 1 . 2]" 1
1047 1 94 ASP H 1 96 ILE H 5.500 . 5.500 4.534 4.435 4.617 . 0 0 "[ . 1 . 2]" 1
1048 1 96 ILE H 1 98 GLY H 4.500 . 4.500 3.916 3.831 4.068 . 0 0 "[ . 1 . 2]" 1
1049 1 95 GLN H 1 96 ILE H 3.500 . 3.500 2.627 2.587 2.687 . 0 0 "[ . 1 . 2]" 1
1050 1 93 VAL HA 1 96 ILE H 4.500 . 4.500 3.428 3.358 3.497 . 0 0 "[ . 1 . 2]" 1
1051 1 96 ILE H 1 96 ILE HG13 3.500 . 3.500 2.013 1.881 2.118 . 0 0 "[ . 1 . 2]" 1
1052 1 96 ILE H 1 96 ILE HG12 3.500 . 3.500 2.804 2.626 3.186 . 0 0 "[ . 1 . 2]" 1
1053 1 96 ILE H 1 96 ILE MG 3.500 . 3.500 2.700 2.647 2.742 . 0 0 "[ . 1 . 2]" 1
1054 1 82 ASP HA 1 84 TYR H 4.500 . 4.500 4.271 3.936 4.423 . 0 0 "[ . 1 . 2]" 1
1055 1 84 TYR H 1 84 TYR HB3 3.500 . 3.500 3.571 3.543 3.584 0.084 5 0 "[ . 1 . 2]" 1
1056 1 83 ALA MB 1 84 TYR H 4.500 . 4.500 2.334 2.218 2.548 . 0 0 "[ . 1 . 2]" 1
1057 1 67 ILE MD 1 84 TYR H 5.500 . 5.500 5.526 5.447 5.570 0.070 7 0 "[ . 1 . 2]" 1
1058 1 83 ALA H 1 84 TYR H 4.500 . 4.500 2.820 2.686 2.897 . 0 0 "[ . 1 . 2]" 1
1059 1 91 ALA H 1 91 ALA MB 3.500 . 3.500 2.316 2.290 2.366 . 0 0 "[ . 1 . 2]" 1
1060 1 90 ASN HB2 1 91 ALA H 5.500 . 5.500 4.450 4.340 4.536 . 0 0 "[ . 1 . 2]" 1
1061 1 90 ASN HB3 1 91 ALA H 5.500 . 5.500 3.806 3.663 3.938 . 0 0 "[ . 1 . 2]" 1
1062 1 90 ASN HA 1 91 ALA H 3.500 . 3.500 2.162 2.132 2.203 . 0 0 "[ . 1 . 2]" 1
1063 1 89 PHE QD 1 91 ALA H 5.500 . 5.500 4.652 4.210 4.922 . 0 0 "[ . 1 . 2]" 1
1064 1 91 ALA H 1 92 GLU H 3.500 . 3.500 2.534 2.425 2.677 . 0 0 "[ . 1 . 2]" 1
1065 1 90 ASN H 1 91 ALA H 5.500 . 5.500 4.437 4.307 4.532 . 0 0 "[ . 1 . 2]" 1
1066 1 13 HIS H 1 14 ILE H 4.500 . 4.500 2.582 2.480 2.631 . 0 0 "[ . 1 . 2]" 1
1067 1 13 HIS H 1 144 TYR QE 5.500 . 5.500 5.146 4.540 5.538 0.038 10 0 "[ . 1 . 2]" 1
1068 1 10 ILE HA 1 13 HIS H 4.500 . 4.500 3.544 3.417 3.733 . 0 0 "[ . 1 . 2]" 1
1069 1 138 GLU H 1 139 LYS H 3.500 . 3.500 2.501 2.473 2.562 . 0 0 "[ . 1 . 2]" 1
1070 1 137 ASP H 1 138 GLU H 5.500 . 5.500 2.463 2.435 2.513 . 0 0 "[ . 1 . 2]" 1
1071 1 31 ASP H 1 36 LYS H 5.500 . 5.500 4.881 4.830 4.946 . 0 0 "[ . 1 . 2]" 1
1072 1 36 LYS H 1 37 PHE QD 5.500 . 5.500 3.976 3.842 4.418 . 0 0 "[ . 1 . 2]" 1
1073 1 35 ASP HA 1 36 LYS H 3.500 . 3.500 2.140 2.105 2.156 . 0 0 "[ . 1 . 2]" 1
1074 1 9 LYS HA 1 13 HIS H 5.500 . 5.500 5.153 4.715 5.273 . 0 0 "[ . 1 . 2]" 1
1075 1 35 ASP HB2 1 36 LYS H 4.500 . 4.500 4.452 4.413 4.527 0.027 13 0 "[ . 1 . 2]" 1
1076 1 36 LYS H 1 36 LYS HB3 3.500 . 3.500 2.700 2.635 2.748 . 0 0 "[ . 1 . 2]" 1
1077 1 36 LYS H 1 36 LYS HG2 5.500 . 5.500 4.587 4.522 4.612 . 0 0 "[ . 1 . 2]" 1
1078 1 36 LYS H 1 36 LYS HB2 3.500 . 3.500 2.984 2.776 3.100 . 0 0 "[ . 1 . 2]" 1
1079 1 144 TYR H 1 145 LEU H 4.500 . 4.500 2.512 2.495 2.534 . 0 0 "[ . 1 . 2]" 1
1080 1 141 PHE HA 1 144 TYR H 5.500 . 5.500 3.985 3.849 4.111 . 0 0 "[ . 1 . 2]" 1
1081 1 143 GLU HB3 1 144 TYR H 4.500 . 4.500 3.619 3.575 3.664 . 0 0 "[ . 1 . 2]" 1
1082 1 143 GLU HB2 1 144 TYR H 4.500 . 4.500 2.849 2.762 2.945 . 0 0 "[ . 1 . 2]" 1
1083 1 144 TYR H 1 145 LEU HG 5.500 . 5.500 3.870 3.560 4.007 . 0 0 "[ . 1 . 2]" 1
1084 1 144 TYR H 1 146 ALA MB 5.500 . 5.500 4.689 4.533 4.777 . 0 0 "[ . 1 . 2]" 1
1085 1 10 ILE MD 1 144 TYR H 5.500 . 5.500 5.377 4.759 5.541 0.041 2 0 "[ . 1 . 2]" 1
1086 1 14 ILE MG 1 144 TYR H 5.500 . 5.500 4.719 4.615 4.998 . 0 0 "[ . 1 . 2]" 1
1087 1 139 LYS H 1 139 LYS HE3 5.500 . 5.500 5.165 3.954 5.522 0.022 2 0 "[ . 1 . 2]" 1
1088 1 139 LYS H 1 139 LYS HE2 5.500 . 5.500 5.427 4.225 5.529 0.029 4 0 "[ . 1 . 2]" 1
1089 1 18 ILE MG 1 140 ASP H 5.500 . 5.500 4.670 4.414 5.004 . 0 0 "[ . 1 . 2]" 1
1090 1 114 GLU H 1 115 GLU H 3.500 . 3.500 2.573 2.504 2.683 . 0 0 "[ . 1 . 2]" 1
1091 1 114 GLU HA 1 115 GLU H 4.500 . 4.500 2.979 2.770 3.073 . 0 0 "[ . 1 . 2]" 1
1092 1 115 GLU H 1 115 GLU HG3 4.500 . 4.500 3.340 2.582 3.875 . 0 0 "[ . 1 . 2]" 1
1093 1 115 GLU H 1 115 GLU HG2 4.500 . 4.500 3.331 2.786 3.992 . 0 0 "[ . 1 . 2]" 1
1094 1 8 HIS H 1 9 LYS H 4.500 . 4.500 2.421 2.377 2.599 . 0 0 "[ . 1 . 2]" 1
1095 1 9 LYS H 1 10 ILE H 4.500 . 4.500 2.683 2.629 2.733 . 0 0 "[ . 1 . 2]" 1
1096 1 6 LEU HA 1 9 LYS H 4.500 . 4.500 3.317 3.198 3.406 . 0 0 "[ . 1 . 2]" 1
1097 1 9 LYS H 1 9 LYS HD2 3.500 . 3.500 2.801 2.282 3.581 0.081 5 0 "[ . 1 . 2]" 1
1098 1 6 LEU MD1 1 9 LYS H 4.500 . 4.500 3.928 3.836 4.036 . 0 0 "[ . 1 . 2]" 1
1099 1 45 VAL MG1 1 46 ALA H 4.500 . 4.500 2.841 2.603 3.134 . 0 0 "[ . 1 . 2]" 1
1100 1 45 VAL MG2 1 46 ALA H 5.500 . 5.500 4.266 4.178 4.345 . 0 0 "[ . 1 . 2]" 1
1101 1 45 VAL HB 1 46 ALA H 5.500 . 5.500 4.102 3.923 4.272 . 0 0 "[ . 1 . 2]" 1
1102 1 45 VAL HA 1 46 ALA H 3.500 . 3.500 2.138 2.125 2.162 . 0 0 "[ . 1 . 2]" 1
1103 1 46 ALA H 1 49 SER HA 5.500 . 5.500 5.468 5.211 5.539 0.039 15 0 "[ . 1 . 2]" 1
1104 1 45 VAL H 1 46 ALA H 5.500 . 5.500 4.354 4.226 4.462 . 0 0 "[ . 1 . 2]" 1
1105 1 41 ARG H 1 42 LEU H 4.500 . 4.500 2.475 2.279 2.610 . 0 0 "[ . 1 . 2]" 1
1106 1 25 LEU H 1 42 LEU H 5.500 . 5.500 3.889 3.601 4.174 . 0 0 "[ . 1 . 2]" 1
1107 1 26 PHE HA 1 42 LEU H 5.500 . 5.500 5.004 4.658 5.263 . 0 0 "[ . 1 . 2]" 1
1108 1 90 ASN HA 1 92 GLU H 4.500 . 4.500 3.685 3.586 3.786 . 0 0 "[ . 1 . 2]" 1
1109 1 92 GLU H 1 92 GLU HG3 3.500 . 3.500 2.694 2.134 2.811 . 0 0 "[ . 1 . 2]" 1
1110 1 42 LEU H 1 42 LEU HG 5.500 . 5.500 3.330 2.425 4.449 . 0 0 "[ . 1 . 2]" 1
1111 1 91 ALA MB 1 92 GLU H 3.500 . 3.500 3.406 3.371 3.462 . 0 0 "[ . 1 . 2]" 1
1112 1 54 ALA H 1 55 SER H 3.500 . 3.500 2.231 2.074 2.300 . 0 0 "[ . 1 . 2]" 1
1113 1 132 THR H 1 133 PHE H 5.500 . 5.500 3.153 2.248 4.645 . 0 0 "[ . 1 . 2]" 1
1114 1 132 THR H 1 132 THR MG 4.500 . 4.500 3.445 1.952 3.946 . 0 0 "[ . 1 . 2]" 1
1115 1 54 ALA MB 1 55 SER H 4.500 . 4.500 3.141 2.742 3.231 . 0 0 "[ . 1 . 2]" 1
1116 1 51 LEU HA 1 55 SER H 5.500 . 5.500 4.567 4.252 5.035 . 0 0 "[ . 1 . 2]" 1
1117 1 81 LYS HD3 1 132 THR H 5.500 . 5.500 4.991 4.066 5.528 0.028 19 0 "[ . 1 . 2]" 1
1118 1 81 LYS HD2 1 132 THR H 5.500 . 5.500 5.104 3.831 5.534 0.034 10 0 "[ . 1 . 2]" 1
1119 1 28 VAL H 1 28 VAL HB 3.500 . 3.500 2.651 2.581 2.774 . 0 0 "[ . 1 . 2]" 1
1120 1 27 LEU HA 1 28 VAL H 4.500 . 4.500 2.308 2.183 2.329 . 0 0 "[ . 1 . 2]" 1
1121 1 28 VAL H 1 63 TRP HH2 5.500 . 5.500 5.499 5.371 5.532 0.032 2 0 "[ . 1 . 2]" 1
1122 1 95 GLN H 1 97 THR H 5.500 . 5.500 3.929 3.876 4.012 . 0 0 "[ . 1 . 2]" 1
1123 1 94 ASP H 1 95 GLN H 4.500 . 4.500 2.666 2.602 2.708 . 0 0 "[ . 1 . 2]" 1
1124 1 93 VAL H 1 95 GLN H 5.500 . 5.500 3.971 3.948 4.018 . 0 0 "[ . 1 . 2]" 1
1125 1 92 GLU HA 1 95 GLN H 4.500 . 4.500 3.699 3.632 3.741 . 0 0 "[ . 1 . 2]" 1
1126 1 95 GLN H 1 96 ILE MG 5.500 . 5.500 4.652 4.571 4.700 . 0 0 "[ . 1 . 2]" 1
1127 1 22 ARG H 1 123 ILE H 4.500 . 4.500 3.587 3.181 3.931 . 0 0 "[ . 1 . 2]" 1
1128 1 21 ASP H 1 22 ARG H 3.500 . 3.500 2.361 2.119 2.554 . 0 0 "[ . 1 . 2]" 1
1129 1 20 ALA MB 1 22 ARG H 3.500 . 3.500 3.378 3.267 3.495 . 0 0 "[ . 1 . 2]" 1
1130 1 52 GLU HB2 1 53 GLU H 4.500 . 4.500 3.766 3.677 3.815 . 0 0 "[ . 1 . 2]" 1
1131 1 52 GLU HB3 1 53 GLU H 4.500 . 4.500 2.930 2.821 3.040 . 0 0 "[ . 1 . 2]" 1
1132 1 53 GLU H 1 54 ALA MB 4.500 . 4.500 4.106 4.018 4.345 . 0 0 "[ . 1 . 2]" 1
1133 1 50 THR HA 1 53 GLU H 5.500 . 5.500 4.835 4.649 4.972 . 0 0 "[ . 1 . 2]" 1
1134 1 50 THR HB 1 53 GLU H 5.500 . 5.500 4.477 3.264 4.987 . 0 0 "[ . 1 . 2]" 1
1135 1 56 ASN H 1 57 ASN H 5.500 . 5.500 4.526 4.456 4.588 . 0 0 "[ . 1 . 2]" 1
1136 1 42 LEU HA 1 56 ASN H 5.500 . 5.500 5.509 5.208 5.541 0.041 15 0 "[ . 1 . 2]" 1
1137 1 55 SER HB2 1 56 ASN H 4.500 . 4.500 4.028 3.255 4.415 . 0 0 "[ . 1 . 2]" 1
1138 1 55 SER HB3 1 56 ASN H 4.500 . 4.500 3.704 3.118 4.352 . 0 0 "[ . 1 . 2]" 1
1139 1 54 ALA MB 1 56 ASN H 5.500 . 5.500 4.517 4.269 4.690 . 0 0 "[ . 1 . 2]" 1
1140 1 80 ILE MG 1 85 GLU H 5.500 . 5.500 5.019 4.900 5.138 . 0 0 "[ . 1 . 2]" 1
1141 1 83 ALA MB 1 85 GLU H 5.500 . 5.500 4.174 4.122 4.246 . 0 0 "[ . 1 . 2]" 1
1142 1 85 GLU H 1 85 GLU HG2 4.500 . 4.500 4.107 3.234 4.228 . 0 0 "[ . 1 . 2]" 1
1143 1 85 GLU H 1 85 GLU HG3 4.500 . 4.500 3.304 3.166 4.255 . 0 0 "[ . 1 . 2]" 1
1144 1 83 ALA HA 1 85 GLU H 5.500 . 5.500 3.913 3.801 4.038 . 0 0 "[ . 1 . 2]" 1
1145 1 84 TYR H 1 85 GLU H 3.500 . 3.500 2.806 2.692 2.870 . 0 0 "[ . 1 . 2]" 1
1146 1 15 HIS H 1 16 GLY H 4.500 . 4.500 2.570 2.539 2.639 . 0 0 "[ . 1 . 2]" 1
1147 1 15 HIS HB3 1 16 GLY H 5.500 . 5.500 3.110 2.943 3.779 . 0 0 "[ . 1 . 2]" 1
1148 1 15 HIS HB2 1 16 GLY H 5.500 . 5.500 3.775 2.842 4.197 . 0 0 "[ . 1 . 2]" 1
1149 1 14 ILE HG12 1 16 GLY H 5.500 . 5.500 5.564 5.546 5.579 0.079 2 0 "[ . 1 . 2]" 1
1150 1 17 LEU H 1 17 LEU MD1 5.500 . 5.500 4.204 4.173 4.241 . 0 0 "[ . 1 . 2]" 1
1151 1 17 LEU H 1 17 LEU MD2 5.500 . 5.500 4.335 4.309 4.351 . 0 0 "[ . 1 . 2]" 1
1152 1 17 LEU H 1 18 ILE MD 5.500 . 5.500 4.498 4.243 4.620 . 0 0 "[ . 1 . 2]" 1
1153 1 15 HIS HB3 1 17 LEU H 5.500 . 5.500 5.022 4.928 5.385 . 0 0 "[ . 1 . 2]" 1
1154 1 15 HIS HB2 1 17 LEU H 5.500 . 5.500 5.448 4.907 5.527 0.027 20 0 "[ . 1 . 2]" 1
1155 1 15 HIS HA 1 17 LEU H 5.500 . 5.500 4.138 3.861 4.191 . 0 0 "[ . 1 . 2]" 1
1156 1 17 LEU H 1 18 ILE H 3.500 . 3.500 2.404 2.362 2.427 . 0 0 "[ . 1 . 2]" 1
1157 1 17 LEU H 1 19 SER H 4.500 . 4.500 3.156 3.125 3.197 . 0 0 "[ . 1 . 2]" 1
1158 1 146 ALA MB 1 147 PHE H 4.500 . 4.500 2.578 2.449 2.810 . 0 0 "[ . 1 . 2]" 1
1159 1 146 ALA H 1 147 PHE H 4.500 . 4.500 2.763 2.701 2.821 . 0 0 "[ . 1 . 2]" 1
1160 1 81 LYS H 1 82 ASP H 4.500 . 4.500 2.443 2.392 2.492 . 0 0 "[ . 1 . 2]" 1
1161 1 82 ASP H 1 103 SER HA 5.500 . 5.500 4.754 4.163 5.229 . 0 0 "[ . 1 . 2]" 1
1162 1 80 ILE HA 1 82 ASP H 4.500 . 4.500 3.935 3.686 4.097 . 0 0 "[ . 1 . 2]" 1
1163 1 82 ASP H 1 83 ALA HA 5.500 . 5.500 4.316 4.180 4.486 . 0 0 "[ . 1 . 2]" 1
1164 1 82 ASP H 1 132 THR MG 5.500 . 5.500 4.915 4.702 5.065 . 0 0 "[ . 1 . 2]" 1
1165 1 80 ILE MD 1 82 ASP H 4.500 . 4.500 4.256 3.964 4.500 . 0 0 "[ . 1 . 2]" 1
1166 1 82 ASP H 1 83 ALA MB 5.500 . 5.500 4.733 4.455 4.918 . 0 0 "[ . 1 . 2]" 1
1167 1 61 LEU MD1 1 65 LYS H 5.500 . 5.500 5.279 4.731 5.547 0.047 5 0 "[ . 1 . 2]" 1
1168 1 64 ASN HB2 1 65 LYS H 5.500 . 5.500 4.566 4.287 4.648 . 0 0 "[ . 1 . 2]" 1
1169 1 64 ASN HB3 1 65 LYS H 5.500 . 5.500 4.376 4.237 4.677 . 0 0 "[ . 1 . 2]" 1
1170 1 65 LYS H 1 69 GLY HA2 3.500 . 3.500 3.595 3.552 3.635 0.135 11 0 "[ . 1 . 2]" 1
1171 1 65 LYS H 1 69 GLY HA3 4.500 . 4.500 2.159 2.106 2.227 . 0 0 "[ . 1 . 2]" 1
1172 1 63 TRP HA 1 65 LYS H 4.500 . 4.500 3.820 3.655 4.087 . 0 0 "[ . 1 . 2]" 1
1173 1 65 LYS H 1 69 GLY H 4.500 . 4.500 3.815 3.724 3.890 . 0 0 "[ . 1 . 2]" 1
1174 1 64 ASN H 1 65 LYS H 3.500 . 3.500 2.817 2.734 3.013 . 0 0 "[ . 1 . 2]" 1
1175 1 65 LYS H 1 66 GLY H 4.500 . 4.500 2.225 2.178 2.296 . 0 0 "[ . 1 . 2]" 1
1176 1 87 PRO HA 1 89 PHE H 4.500 . 4.500 4.523 4.394 4.551 0.051 15 0 "[ . 1 . 2]" 1
1177 1 67 ILE MG 1 89 PHE H 5.500 . 5.500 5.029 4.942 5.211 . 0 0 "[ . 1 . 2]" 1
1178 1 69 GLY HA3 1 73 ALA H 5.500 . 5.500 4.986 4.706 5.175 . 0 0 "[ . 1 . 2]" 1
1179 1 73 ALA H 1 73 ALA MB 3.500 . 3.500 2.259 2.235 2.279 . 0 0 "[ . 1 . 2]" 1
1180 1 72 ALA MB 1 73 ALA H 3.500 . 3.500 2.668 2.492 2.786 . 0 0 "[ . 1 . 2]" 1
1181 1 73 ALA H 1 74 PHE HA 5.500 . 5.500 5.221 5.133 5.344 . 0 0 "[ . 1 . 2]" 1
1182 1 73 ALA H 1 74 PHE H 3.500 . 3.500 2.568 2.456 2.724 . 0 0 "[ . 1 . 2]" 1
1183 1 73 ALA H 1 75 GLY H 5.500 . 5.500 4.251 4.125 4.442 . 0 0 "[ . 1 . 2]" 1
1184 1 74 PHE HB2 1 76 GLU H 4.500 . 4.500 3.560 3.453 3.697 . 0 0 "[ . 1 . 2]" 1
1185 1 74 PHE HB3 1 76 GLU H 4.500 . 4.500 4.130 3.837 4.408 . 0 0 "[ . 1 . 2]" 1
1186 1 74 PHE H 1 76 GLU H 5.500 . 5.500 4.605 4.551 4.705 . 0 0 "[ . 1 . 2]" 1
1187 1 69 GLY H 1 70 HIS H 4.500 . 4.500 2.670 2.589 2.762 . 0 0 "[ . 1 . 2]" 1
1188 1 68 VAL H 1 69 GLY H 5.500 . 5.500 2.374 2.342 2.386 . 0 0 "[ . 1 . 2]" 1
1189 1 68 VAL HB 1 69 GLY H 5.500 . 5.500 4.284 4.017 4.445 . 0 0 "[ . 1 . 2]" 1
1190 1 68 VAL MG2 1 69 GLY H 4.500 . 4.500 2.611 2.342 2.940 . 0 0 "[ . 1 . 2]" 1
1191 1 68 VAL MG1 1 69 GLY H 4.500 . 4.500 3.631 3.364 3.955 . 0 0 "[ . 1 . 2]" 1
1192 1 67 ILE HB 1 69 GLY H 5.500 . 5.500 5.430 5.284 5.536 0.036 2 0 "[ . 1 . 2]" 1
1193 1 67 ILE H 1 69 GLY H 5.500 . 5.500 3.869 3.815 3.932 . 0 0 "[ . 1 . 2]" 1
1194 1 93 VAL H 1 93 VAL MG1 4.500 . 4.500 3.812 3.805 3.834 . 0 0 "[ . 1 . 2]" 1
1195 1 93 VAL H 1 93 VAL MG2 4.500 . 4.500 2.187 2.133 2.306 . 0 0 "[ . 1 . 2]" 1
1196 1 92 GLU HG2 1 93 VAL H 5.500 . 5.500 4.831 3.449 5.132 . 0 0 "[ . 1 . 2]" 1
1197 1 90 ASN HA 1 93 VAL H 5.500 . 5.500 5.360 5.238 5.506 0.006 6 0 "[ . 1 . 2]" 1
1198 1 93 VAL H 1 94 ASP HA 5.500 . 5.500 5.150 5.094 5.180 . 0 0 "[ . 1 . 2]" 1
1199 1 92 GLU H 1 93 VAL H 4.500 . 4.500 2.493 2.468 2.519 . 0 0 "[ . 1 . 2]" 1
1200 1 93 VAL H 1 94 ASP H 4.500 . 4.500 2.503 2.438 2.536 . 0 0 "[ . 1 . 2]" 1
1201 1 124 ASN HA 1 125 LYS H 4.500 . 4.500 2.116 2.099 2.180 . 0 0 "[ . 1 . 2]" 1
1202 1 123 ILE HA 1 125 LYS H 5.500 . 5.500 5.565 5.344 5.594 0.094 11 0 "[ . 1 . 2]" 1
1203 1 99 TYR HA 1 100 LYS H 3.500 . 3.500 2.157 2.135 2.197 . 0 0 "[ . 1 . 2]" 1
1204 1 99 TYR HB3 1 100 LYS H 4.500 . 4.500 4.122 4.004 4.260 . 0 0 "[ . 1 . 2]" 1
1205 1 99 TYR HB2 1 100 LYS H 5.500 . 5.500 4.176 4.089 4.256 . 0 0 "[ . 1 . 2]" 1
1206 1 99 TYR H 1 100 LYS H 4.500 . 4.500 4.385 4.300 4.451 . 0 0 "[ . 1 . 2]" 1
1207 1 100 LYS H 1 101 THR H 5.500 . 5.500 4.252 4.156 4.401 . 0 0 "[ . 1 . 2]" 1
1208 1 145 LEU H 1 146 ALA H 5.500 . 5.500 2.456 2.422 2.478 . 0 0 "[ . 1 . 2]" 1
1209 1 146 ALA H 1 146 ALA MB 3.500 . 3.500 2.234 2.227 2.244 . 0 0 "[ . 1 . 2]" 1
1210 1 3 VAL H 1 5 ALA MB 5.500 . 5.500 4.128 3.156 5.179 . 0 0 "[ . 1 . 2]" 1
1211 1 14 ILE H 1 14 ILE MG 4.500 . 4.500 2.618 2.471 2.668 . 0 0 "[ . 1 . 2]" 1
1212 1 13 HIS HA 1 16 GLY H 5.500 . 5.500 3.831 3.648 3.889 . 0 0 "[ . 1 . 2]" 1
1213 1 22 ARG H 1 123 ILE MD 4.500 . 4.500 4.562 4.513 4.592 0.092 7 0 "[ . 1 . 2]" 1
1214 1 11 PHE QE 1 24 SER H 5.500 . 5.500 3.944 3.718 4.290 . 0 0 "[ . 1 . 2]" 1
1215 1 24 SER H 1 45 VAL HB 5.500 . 5.500 5.458 4.983 5.558 0.058 7 0 "[ . 1 . 2]" 1
1216 1 24 SER H 1 123 ILE MD 5.500 . 5.500 4.352 4.033 4.620 . 0 0 "[ . 1 . 2]" 1
1217 1 25 LEU H 1 42 LEU HA 5.500 . 5.500 5.568 5.487 5.646 0.146 1 0 "[ . 1 . 2]" 1
1218 1 27 LEU H 1 41 ARG H 5.500 . 5.500 4.125 3.665 4.394 . 0 0 "[ . 1 . 2]" 1
1219 1 27 LEU H 1 27 LEU MD1 5.500 . 5.500 3.436 2.445 4.291 . 0 0 "[ . 1 . 2]" 1
1220 1 27 LEU H 1 27 LEU MD2 5.500 . 5.500 4.284 2.742 4.572 . 0 0 "[ . 1 . 2]" 1
1221 1 35 ASP H 1 35 ASP HB3 3.500 . 3.500 3.251 3.185 3.364 . 0 0 "[ . 1 . 2]" 1
1222 1 67 ILE H 1 89 PHE HA 5.500 . 5.500 3.270 3.141 3.605 . 0 0 "[ . 1 . 2]" 1
1223 1 80 ILE H 1 81 LYS H 5.500 . 5.500 4.397 4.277 4.500 . 0 0 "[ . 1 . 2]" 1
1224 1 61 LEU H 1 61 LEU HB2 3.500 . 3.500 3.599 3.521 3.696 0.196 14 0 "[ . 1 . 2]" 1
1225 1 24 SER H 1 121 GLN H 4.500 . 4.500 3.329 3.049 3.769 . 0 0 "[ . 1 . 2]" 1
1226 1 26 PHE QE 1 121 GLN H 5.500 . 5.500 3.289 2.056 4.539 . 0 0 "[ . 1 . 2]" 1
1227 1 109 ILE H 1 120 ALA H 5.500 . 5.500 3.503 3.297 3.846 . 0 0 "[ . 1 . 2]" 1
1228 1 105 LEU H 1 123 ILE MG 5.500 . 5.500 4.595 4.340 4.810 . 0 0 "[ . 1 . 2]" 1
1229 1 67 ILE MG 1 90 ASN H 4.500 . 4.500 4.588 4.562 4.617 0.117 8 0 "[ . 1 . 2]" 1
1230 1 10 ILE MD 1 14 ILE H 5.500 . 5.500 4.951 4.617 5.536 0.036 10 0 "[ . 1 . 2]" 1
1231 1 64 ASN H 1 69 GLY HA3 4.500 . 4.500 2.484 2.311 2.754 . 0 0 "[ . 1 . 2]" 1
1232 1 91 ALA HA 1 95 GLN H 5.500 . 5.500 4.805 4.686 4.998 . 0 0 "[ . 1 . 2]" 1
1233 1 93 VAL HA 1 95 GLN H 5.500 . 5.500 3.802 3.724 3.844 . 0 0 "[ . 1 . 2]" 1
1234 1 55 SER H 1 56 ASN H 3.500 . 3.500 2.385 2.284 2.587 . 0 0 "[ . 1 . 2]" 1
1235 1 147 PHE QD 1 149 GLY H 5.500 . 5.500 5.531 5.509 5.556 0.056 20 0 "[ . 1 . 2]" 1
1236 1 149 GLY H 1 150 GLU H 5.500 . 5.500 2.850 2.659 2.909 . 0 0 "[ . 1 . 2]" 1
1237 1 109 ILE MG 1 149 GLY H 4.500 . 4.500 3.904 3.678 4.125 . 0 0 "[ . 1 . 2]" 1
1238 1 7 CYS H 1 9 LYS H 5.500 . 5.500 4.085 4.000 4.255 . 0 0 "[ . 1 . 2]" 1
1239 1 9 LYS H 1 11 PHE H 4.500 . 4.500 4.004 3.886 4.093 . 0 0 "[ . 1 . 2]" 1
1240 1 11 PHE H 1 11 PHE QD 5.500 . 5.500 2.742 2.602 2.956 . 0 0 "[ . 1 . 2]" 1
1241 1 11 PHE H 1 11 PHE QE 5.500 . 5.500 4.982 4.867 5.238 . 0 0 "[ . 1 . 2]" 1
1242 1 13 HIS HA 1 17 LEU H 5.500 . 5.500 4.972 4.889 5.059 . 0 0 "[ . 1 . 2]" 1
1243 1 63 TRP HE1 1 73 ALA H 5.500 . 5.500 4.982 4.485 5.450 . 0 0 "[ . 1 . 2]" 1
1244 1 63 TRP HE1 1 73 ALA HA 5.500 . 5.500 2.893 2.284 3.263 . 0 0 "[ . 1 . 2]" 1
1245 1 63 TRP HE1 1 64 ASN HB3 5.500 . 5.500 5.059 3.817 5.553 0.053 2 0 "[ . 1 . 2]" 1
1246 1 63 TRP HE1 1 64 ASN HB2 5.500 . 5.500 4.240 3.679 5.523 0.023 19 0 "[ . 1 . 2]" 1
1247 1 36 LYS HB3 1 63 TRP HE1 5.500 . 5.500 4.648 4.544 4.725 . 0 0 "[ . 1 . 2]" 1
1248 1 63 TRP HE1 1 73 ALA MB 5.500 . 5.500 3.173 2.795 3.524 . 0 0 "[ . 1 . 2]" 1
1249 1 36 LYS HB2 1 63 TRP HE1 5.500 . 5.500 5.534 5.464 5.562 0.062 10 0 "[ . 1 . 2]" 1
1250 1 36 LYS HD2 1 63 TRP HE1 5.500 . 5.500 3.967 3.388 4.065 . 0 0 "[ . 1 . 2]" 1
1251 1 99 TYR QD 1 101 THR H 5.500 . 5.500 4.183 3.964 4.611 . 0 0 "[ . 1 . 2]" 1
1252 1 43 PHE H 1 45 VAL MG2 5.500 . 5.500 4.215 3.814 4.582 . 0 0 "[ . 1 . 2]" 1
1253 1 6 LEU HA 1 10 ILE H 5.500 . 5.500 5.037 4.863 5.299 . 0 0 "[ . 1 . 2]" 1
1254 1 71 VAL HA 1 74 PHE H 5.500 . 5.500 3.541 3.472 3.697 . 0 0 "[ . 1 . 2]" 1
1255 1 26 PHE H 1 119 VAL H 5.500 . 5.500 3.135 2.997 3.356 . 0 0 "[ . 1 . 2]" 1
1256 1 119 VAL H 1 120 ALA H 5.500 . 5.500 4.432 4.374 4.474 . 0 0 "[ . 1 . 2]" 1
1257 1 118 GLY H 1 119 VAL H 5.500 . 5.500 4.364 4.306 4.383 . 0 0 "[ . 1 . 2]" 1
1258 1 28 VAL H 1 119 VAL H 5.500 . 5.500 4.914 4.378 5.080 . 0 0 "[ . 1 . 2]" 1
1259 1 26 PHE QD 1 119 VAL H 5.500 . 5.500 3.152 2.473 3.753 . 0 0 "[ . 1 . 2]" 1
1260 1 27 LEU HA 1 119 VAL H 5.500 . 5.500 3.471 3.237 3.640 . 0 0 "[ . 1 . 2]" 1
1261 1 26 PHE HA 1 119 VAL H 5.500 . 5.500 4.614 4.344 4.850 . 0 0 "[ . 1 . 2]" 1
1262 1 37 PHE QD 1 39 ILE MD 3.500 . 3.500 2.150 2.053 2.313 . 0 0 "[ . 1 . 2]" 1
1263 1 29 CYS HB3 1 37 PHE QD 4.500 . 4.500 4.295 3.402 4.530 0.030 12 0 "[ . 1 . 2]" 1
1264 1 37 PHE QD 1 39 ILE HB 4.500 . 4.500 4.514 4.347 4.596 0.096 11 0 "[ . 1 . 2]" 1
1265 1 36 LYS HA 1 37 PHE QD 3.500 . 3.500 2.701 2.493 3.394 . 0 0 "[ . 1 . 2]" 1
1266 1 74 PHE HA 1 74 PHE QD 3.500 . 3.500 2.934 2.927 2.942 . 0 0 "[ . 1 . 2]" 1
1267 1 70 HIS HA 1 74 PHE QD 4.500 . 4.500 3.562 3.190 4.233 . 0 0 "[ . 1 . 2]" 1
1268 1 73 ALA MB 1 74 PHE QD 3.500 . 3.500 2.812 2.745 2.873 . 0 0 "[ . 1 . 2]" 1
1269 1 43 PHE QD 1 97 THR MG 5.500 . 5.500 4.511 4.454 4.654 . 0 0 "[ . 1 . 2]" 1
1270 1 121 GLN HA 1 141 PHE QE 5.500 . 5.500 5.269 4.871 5.514 0.014 12 0 "[ . 1 . 2]" 1
1271 1 141 PHE HA 1 141 PHE QD 3.500 . 3.500 2.997 2.840 3.039 . 0 0 "[ . 1 . 2]" 1
1272 1 141 PHE HA 1 141 PHE QE 4.500 . 4.500 4.474 4.417 4.520 0.020 20 0 "[ . 1 . 2]" 1
1273 1 120 ALA MB 1 141 PHE QD 5.500 . 5.500 4.343 3.955 4.751 . 0 0 "[ . 1 . 2]" 1
1274 1 120 ALA MB 1 141 PHE QE 5.500 . 5.500 4.882 4.540 5.497 . 0 0 "[ . 1 . 2]" 1
1275 1 18 ILE MG 1 141 PHE QD 3.500 . 3.500 2.774 2.473 3.372 . 0 0 "[ . 1 . 2]" 1
1276 1 18 ILE MG 1 141 PHE QE 3.500 . 3.500 2.536 2.257 3.293 . 0 0 "[ . 1 . 2]" 1
1277 1 122 ALA MB 1 141 PHE QE 3.500 . 3.500 2.452 2.188 2.876 . 0 0 "[ . 1 . 2]" 1
1278 1 11 PHE QE 1 45 VAL HB 5.500 . 5.500 4.639 3.828 5.026 . 0 0 "[ . 1 . 2]" 1
1279 1 11 PHE QD 1 45 VAL HB 4.500 . 4.500 3.459 2.766 3.849 . 0 0 "[ . 1 . 2]" 1
1280 1 11 PHE HA 1 11 PHE QD 3.500 . 3.500 2.950 2.693 2.993 . 0 0 "[ . 1 . 2]" 1
1281 1 11 PHE HA 1 11 PHE QE 4.500 . 4.500 4.424 4.363 4.452 . 0 0 "[ . 1 . 2]" 1
1282 1 11 PHE QE 1 120 ALA MB 4.500 . 4.500 4.263 3.890 4.517 0.017 15 0 "[ . 1 . 2]" 1
1283 1 11 PHE QE 1 14 ILE MD 4.500 . 4.500 3.476 3.265 3.802 . 0 0 "[ . 1 . 2]" 1
1284 1 11 PHE QE 1 109 ILE MD 5.500 . 5.500 4.426 4.073 4.789 . 0 0 "[ . 1 . 2]" 1
1285 1 11 PHE QD 1 14 ILE MD 3.500 . 3.500 2.719 2.385 3.289 . 0 0 "[ . 1 . 2]" 1
1286 1 11 PHE QD 1 45 VAL MG1 3.500 . 3.500 3.063 2.723 3.424 . 0 0 "[ . 1 . 2]" 1
1287 1 11 PHE QE 1 45 VAL MG2 5.500 . 5.500 3.817 3.482 3.972 . 0 0 "[ . 1 . 2]" 1
1288 1 11 PHE QD 1 45 VAL MG2 3.500 . 3.500 3.495 3.052 3.540 0.040 15 0 "[ . 1 . 2]" 1
1289 1 43 PHE QE 1 44 ASP HB2 5.500 . 5.500 4.634 3.904 5.515 0.015 3 0 "[ . 1 . 2]" 1
1290 1 30 GLU HA 1 37 PHE QE 5.500 . 5.500 3.270 2.847 3.763 . 0 0 "[ . 1 . 2]" 1
1291 1 36 LYS HA 1 37 PHE QE 5.500 . 5.500 3.809 3.740 4.036 . 0 0 "[ . 1 . 2]" 1
1292 1 37 PHE QE 1 39 ILE HB 5.500 . 5.500 4.832 4.716 5.080 . 0 0 "[ . 1 . 2]" 1
1293 1 36 LYS HD3 1 63 TRP HD1 5.500 . 5.500 5.561 4.602 5.625 0.125 17 0 "[ . 1 . 2]" 1
1294 1 36 LYS HB3 1 63 TRP HD1 5.500 . 5.500 3.337 3.260 3.412 . 0 0 "[ . 1 . 2]" 1
1295 1 63 TRP HZ2 1 73 ALA HA 3.500 . 3.500 2.813 2.350 3.155 . 0 0 "[ . 1 . 2]" 1
1296 1 63 TRP HZ2 1 73 ALA MB 4.500 . 4.500 4.171 3.806 4.500 0.000 1 0 "[ . 1 . 2]" 1
1297 1 73 ALA MB 1 74 PHE QE 4.500 . 4.500 3.514 3.415 3.661 . 0 0 "[ . 1 . 2]" 1
1298 1 84 TYR QE 1 93 VAL MG1 5.500 . 5.500 3.417 3.167 3.807 . 0 0 "[ . 1 . 2]" 1
1299 1 84 TYR QE 1 97 THR MG 4.500 . 4.500 4.587 4.556 4.607 0.107 10 0 "[ . 1 . 2]" 1
1300 1 99 TYR HA 1 99 TYR QE 5.500 . 5.500 4.658 4.609 4.749 . 0 0 "[ . 1 . 2]" 1
1301 1 99 TYR QE 1 123 ILE HB 5.500 . 5.500 2.345 2.220 2.527 . 0 0 "[ . 1 . 2]" 1
1302 1 99 TYR QE 1 123 ILE MD 4.500 . 4.500 4.529 4.507 4.562 0.062 13 0 "[ . 1 . 2]" 1
1303 1 63 TRP HH2 1 73 ALA HA 5.500 . 5.500 4.855 4.351 5.324 . 0 0 "[ . 1 . 2]" 1
1304 1 28 VAL MG2 1 63 TRP HH2 4.500 . 4.500 2.240 2.096 2.780 . 0 0 "[ . 1 . 2]" 1
1305 1 38 LEU MD2 1 63 TRP HH2 5.500 . 5.500 3.872 3.694 4.177 . 0 0 "[ . 1 . 2]" 1
1306 1 26 PHE QE 1 59 ILE HB 5.500 . 5.500 4.580 4.206 5.409 . 0 0 "[ . 1 . 2]" 1
1307 1 26 PHE QE 1 59 ILE HG13 5.500 . 5.500 4.379 3.509 4.582 . 0 0 "[ . 1 . 2]" 1
1308 1 26 PHE HA 1 26 PHE QE 5.500 . 5.500 5.267 5.083 5.520 0.020 14 0 "[ . 1 . 2]" 1
1309 1 37 PHE QE 1 39 ILE MD 3.500 . 3.500 2.015 1.971 2.142 . 0 0 "[ . 1 . 2]" 1
1310 1 23 TYR QD 1 45 VAL HB 5.500 . 5.500 3.306 2.467 4.497 . 0 0 "[ . 1 . 2]" 1
1311 1 18 ILE MD 1 23 TYR QD 5.500 . 5.500 4.458 4.238 4.611 . 0 0 "[ . 1 . 2]" 1
1312 1 14 ILE MD 1 23 TYR QD 4.500 . 4.500 3.120 2.859 3.430 . 0 0 "[ . 1 . 2]" 1
1313 1 15 HIS HA 1 23 TYR QE 4.500 . 4.500 2.628 2.281 3.283 . 0 0 "[ . 1 . 2]" 1
1314 1 20 ALA MB 1 23 TYR QE 4.500 . 4.500 2.488 2.039 2.721 . 0 0 "[ . 1 . 2]" 1
1315 1 14 ILE MD 1 23 TYR QE 3.500 . 3.500 2.442 2.271 2.740 . 0 0 "[ . 1 . 2]" 1
1316 1 23 TYR QE 1 122 ALA MB 3.500 . 3.500 2.741 2.452 2.967 . 0 0 "[ . 1 . 2]" 1
1317 1 18 ILE MD 1 23 TYR QE 4.500 . 4.500 2.457 2.229 2.664 . 0 0 "[ . 1 . 2]" 1
1318 1 18 ILE HG13 1 23 TYR QE 5.500 . 5.500 4.422 4.142 4.614 . 0 0 "[ . 1 . 2]" 1
1319 1 18 ILE HG12 1 23 TYR QE 5.500 . 5.500 4.232 4.142 4.383 . 0 0 "[ . 1 . 2]" 1
1320 1 10 ILE MD 1 144 TYR QE 4.500 . 4.500 4.269 3.196 4.513 0.013 20 0 "[ . 1 . 2]" 1
1321 1 10 ILE HB 1 144 TYR QE 5.500 . 5.500 4.172 3.369 5.530 0.030 3 0 "[ . 1 . 2]" 1
1322 1 144 TYR HA 1 144 TYR QE 5.500 . 5.500 4.498 4.460 4.565 . 0 0 "[ . 1 . 2]" 1
1323 1 17 LEU MD2 1 144 TYR QD 5.500 . 5.500 3.760 3.629 3.946 . 0 0 "[ . 1 . 2]" 1
1324 1 15 HIS HD1 1 47 GLU HA 5.500 . 5.500 4.291 3.466 4.762 . 0 0 "[ . 1 . 2]" 1
1325 1 14 ILE MD 1 15 HIS HD1 5.500 . 5.500 5.428 4.449 5.540 0.040 2 0 "[ . 1 . 2]" 1
1326 1 112 HIS HA 1 112 HIS HD1 4.500 . 4.500 3.722 3.041 4.502 0.002 6 0 "[ . 1 . 2]" 1
1327 1 26 PHE QE 1 43 PHE QE 5.500 . 5.500 5.517 4.954 5.593 0.093 8 0 "[ . 1 . 2]" 1
1328 1 11 PHE QD 1 23 TYR HA 5.500 . 5.500 5.124 4.909 5.369 . 0 0 "[ . 1 . 2]" 1
1329 1 43 PHE QD 1 59 ILE HG13 5.500 . 5.500 2.746 2.514 2.907 . 0 0 "[ . 1 . 2]" 1
1330 1 26 PHE QD 1 59 ILE HG12 5.500 . 5.500 4.997 4.591 5.265 . 0 0 "[ . 1 . 2]" 1
1331 1 26 PHE QD 1 59 ILE HG13 5.500 . 5.500 4.371 3.779 4.779 . 0 0 "[ . 1 . 2]" 1
1332 1 26 PHE QD 1 61 LEU HG 5.500 . 5.500 3.829 3.191 5.248 . 0 0 "[ . 1 . 2]" 1
1333 1 107 MET HG3 1 141 PHE QD 4.500 . 4.500 2.912 2.327 4.295 . 0 0 "[ . 1 . 2]" 1
1334 1 105 LEU HG 1 141 PHE QD 4.500 . 4.500 4.358 3.244 4.556 0.056 18 0 "[ . 1 . 2]" 1
1335 1 97 THR HB 1 99 TYR QD 5.500 . 5.500 4.519 4.254 4.741 . 0 0 "[ . 1 . 2]" 1
1336 1 99 TYR QE 1 101 THR MG 4.500 . 4.500 4.198 3.292 4.501 0.001 18 0 "[ . 1 . 2]" 1
1337 1 2 ASP HA 1 3 VAL QG 5.500 . 5.500 3.365 3.195 3.860 . 0 0 "[ . 1 . 2]" 1
1338 1 2 ASP QB 1 5 ALA H 5.500 . 5.500 3.447 2.462 4.825 . 0 0 "[ . 1 . 2]" 1
1339 1 2 ASP QB 1 5 ALA MB 3.500 . 3.500 2.576 2.077 3.518 0.018 17 0 "[ . 1 . 2]" 1
1340 1 3 VAL H 1 3 VAL QG 3.500 . 3.500 2.331 1.910 2.633 . 0 0 "[ . 1 . 2]" 1
1341 1 5 ALA H 1 51 LEU QD 3.500 . 3.500 3.497 3.353 3.573 0.073 7 0 "[ . 1 . 2]" 1
1342 1 5 ALA HA 1 51 LEU QD 3.500 . 3.500 2.220 1.953 2.494 . 0 0 "[ . 1 . 2]" 1
1343 1 5 ALA MB 1 51 LEU QD 3.500 . 3.500 2.872 2.238 3.268 . 0 0 "[ . 1 . 2]" 1
1344 1 6 LEU HA 1 9 LYS QG 3.500 . 3.500 3.258 2.656 3.514 0.014 6 0 "[ . 1 . 2]" 1
1345 1 6 LEU MD1 1 7 CYS QB 5.500 . 5.500 5.136 4.905 5.369 . 0 0 "[ . 1 . 2]" 1
1346 1 6 LEU MD2 1 9 LYS QG 3.500 . 3.500 2.958 2.910 3.461 . 0 0 "[ . 1 . 2]" 1
1347 1 7 CYS H 1 7 CYS QB 3.500 . 3.500 2.408 2.240 2.521 . 0 0 "[ . 1 . 2]" 1
1348 1 7 CYS QB 1 8 HIS H 4.500 . 4.500 3.114 2.851 3.628 . 0 0 "[ . 1 . 2]" 1
1349 1 7 CYS QB 1 10 ILE MG 4.500 . 4.500 4.401 3.348 4.551 0.051 9 0 "[ . 1 . 2]" 1
1350 1 7 CYS QB 1 25 LEU QD 4.500 . 4.500 3.763 3.348 4.146 . 0 0 "[ . 1 . 2]" 1
1351 1 9 LYS H 1 9 LYS QG 4.500 . 4.500 3.462 2.130 3.614 . 0 0 "[ . 1 . 2]" 1
1352 1 9 LYS HA 1 9 LYS QG 3.500 . 3.500 2.467 2.257 3.492 . 0 0 "[ . 1 . 2]" 1
1353 1 9 LYS HA 1 12 LEU QD 4.500 . 4.500 3.251 2.254 3.986 . 0 0 "[ . 1 . 2]" 1
1354 1 9 LYS QE 1 9 LYS QG 3.500 . 3.500 2.186 2.052 2.313 . 0 0 "[ . 1 . 2]" 1
1355 1 10 ILE MG 1 148 CYS QB 3.500 . 3.500 3.047 2.243 3.534 0.034 19 0 "[ . 1 . 2]" 1
1356 1 10 ILE QG 1 11 PHE HA 5.500 . 5.500 3.486 3.379 3.607 . 0 0 "[ . 1 . 2]" 1
1357 1 10 ILE QG 1 11 PHE QD 5.500 . 5.500 2.545 2.239 4.150 . 0 0 "[ . 1 . 2]" 1
1358 1 10 ILE MD 1 13 HIS QB 5.500 . 5.500 4.794 4.281 5.003 . 0 0 "[ . 1 . 2]" 1
1359 1 10 ILE MD 1 144 TYR QB 4.500 . 4.500 2.607 2.260 2.782 . 0 0 "[ . 1 . 2]" 1
1360 1 10 ILE MD 1 145 LEU QD 4.500 . 4.500 3.542 2.990 4.503 0.003 3 0 "[ . 1 . 2]" 1
1361 1 10 ILE MD 1 148 CYS QB 3.500 . 3.500 2.477 2.104 3.137 . 0 0 "[ . 1 . 2]" 1
1362 1 11 PHE HA 1 14 ILE QG 5.500 . 5.500 2.166 2.030 2.266 . 0 0 "[ . 1 . 2]" 1
1363 1 11 PHE QB 1 14 ILE MD 5.500 . 5.500 3.503 3.407 3.579 . 0 0 "[ . 1 . 2]" 1
1364 1 11 PHE QB 1 45 VAL MG1 4.500 . 4.500 2.477 2.099 2.943 . 0 0 "[ . 1 . 2]" 1
1365 1 11 PHE QD 1 25 LEU QD 4.500 . 4.500 3.628 3.081 4.126 . 0 0 "[ . 1 . 2]" 1
1366 1 11 PHE QE 1 25 LEU QD 3.500 . 3.500 2.417 2.118 2.636 . 0 0 "[ . 1 . 2]" 1
1367 1 11 PHE QE 1 145 LEU QD 4.500 . 4.500 3.754 3.063 4.423 . 0 0 "[ . 1 . 2]" 1
1368 1 12 LEU HA 1 12 LEU QD 3.500 . 3.500 2.680 2.272 2.995 . 0 0 "[ . 1 . 2]" 1
1369 1 12 LEU QD 1 13 HIS H 5.500 . 5.500 4.087 3.714 4.282 . 0 0 "[ . 1 . 2]" 1
1370 1 13 HIS H 1 13 HIS QB 3.500 . 3.500 2.258 2.172 2.314 . 0 0 "[ . 1 . 2]" 1
1371 1 13 HIS H 1 14 ILE QG 5.500 . 5.500 3.680 3.582 3.751 . 0 0 "[ . 1 . 2]" 1
1372 1 13 HIS QB 1 14 ILE H 4.500 . 4.500 2.841 2.715 2.960 . 0 0 "[ . 1 . 2]" 1
1373 1 13 HIS QB 1 144 TYR QE 4.500 . 4.500 2.822 2.408 3.170 . 0 0 "[ . 1 . 2]" 1
1374 1 14 ILE H 1 14 ILE QG 4.500 . 4.500 1.954 1.927 1.984 . 0 0 "[ . 1 . 2]" 1
1375 1 14 ILE HA 1 17 LEU QB 5.500 . 5.500 2.214 2.169 2.322 . 0 0 "[ . 1 . 2]" 1
1376 1 14 ILE HA 1 17 LEU QD 3.500 . 3.500 3.154 3.089 3.221 . 0 0 "[ . 1 . 2]" 1
1377 1 14 ILE HA 1 18 ILE QG 5.500 . 5.500 3.300 3.208 3.492 . 0 0 "[ . 1 . 2]" 1
1378 1 14 ILE MG 1 144 TYR QB 4.500 . 4.500 2.651 2.496 2.785 . 0 0 "[ . 1 . 2]" 1
1379 1 14 ILE QG 1 15 HIS HA 5.500 . 5.500 3.667 3.556 3.722 . 0 0 "[ . 1 . 2]" 1
1380 1 14 ILE QG 1 16 GLY H 5.500 . 5.500 4.514 4.386 4.641 . 0 0 "[ . 1 . 2]" 1
1381 1 14 ILE MD 1 15 HIS QB 5.500 . 5.500 4.558 4.116 5.250 . 0 0 "[ . 1 . 2]" 1
1382 1 14 ILE MD 1 144 TYR QB 5.500 . 5.500 3.596 3.416 4.021 . 0 0 "[ . 1 . 2]" 1
1383 1 15 HIS H 1 15 HIS QB 3.500 . 3.500 2.196 2.158 2.359 . 0 0 "[ . 1 . 2]" 1
1384 1 15 HIS HA 1 18 ILE QG 5.500 . 5.500 4.201 3.764 4.362 . 0 0 "[ . 1 . 2]" 1
1385 1 15 HIS QB 1 15 HIS HD1 3.500 . 3.500 2.416 2.403 2.529 . 0 0 "[ . 1 . 2]" 1
1386 1 15 HIS QB 1 16 GLY H 4.500 . 4.500 2.925 2.725 3.519 . 0 0 "[ . 1 . 2]" 1
1387 1 15 HIS QB 1 23 TYR QE 5.500 . 5.500 2.975 2.301 4.741 . 0 0 "[ . 1 . 2]" 1
1388 1 15 HIS HD1 1 47 GLU QG 4.500 . 4.500 4.146 2.671 4.523 0.023 15 0 "[ . 1 . 2]" 1
1389 1 16 GLY H 1 18 ILE QG 5.500 . 5.500 5.002 4.914 5.289 . 0 0 "[ . 1 . 2]" 1
1390 1 17 LEU H 1 17 LEU QB 3.500 . 3.500 2.339 2.333 2.344 . 0 0 "[ . 1 . 2]" 1
1391 1 17 LEU H 1 17 LEU QD 4.500 . 4.500 3.801 3.790 3.810 . 0 0 "[ . 1 . 2]" 1
1392 1 17 LEU H 1 18 ILE QG 4.500 . 4.500 3.655 3.626 3.705 . 0 0 "[ . 1 . 2]" 1
1393 1 17 LEU HA 1 17 LEU QD 3.500 . 3.500 2.496 2.387 2.637 . 0 0 "[ . 1 . 2]" 1
1394 1 17 LEU QB 1 18 ILE H 4.500 . 4.500 2.280 2.248 2.331 . 0 0 "[ . 1 . 2]" 1
1395 1 17 LEU QB 1 19 SER H 5.500 . 5.500 4.182 4.157 4.218 . 0 0 "[ . 1 . 2]" 1
1396 1 17 LEU QD 1 18 ILE H 5.500 . 5.500 3.551 3.465 3.631 . 0 0 "[ . 1 . 2]" 1
1397 1 17 LEU QD 1 18 ILE MG 4.500 . 4.500 2.393 2.251 2.540 . 0 0 "[ . 1 . 2]" 1
1398 1 17 LEU QD 1 140 ASP QB 5.500 . 5.500 2.770 2.412 3.501 . 0 0 "[ . 1 . 2]" 1
1399 1 17 LEU QD 1 144 TYR QD 4.500 . 4.500 3.700 3.582 3.866 . 0 0 "[ . 1 . 2]" 1
1400 1 17 LEU QD 1 144 TYR QE 3.500 . 3.500 2.231 2.168 2.366 . 0 0 "[ . 1 . 2]" 1
1401 1 18 ILE H 1 18 ILE QG 4.500 . 4.500 1.780 1.772 1.787 0.028 6 0 "[ . 1 . 2]" 1
1402 1 18 ILE MG 1 140 ASP QB 4.500 . 4.500 2.720 2.345 3.076 . 0 0 "[ . 1 . 2]" 1
1403 1 18 ILE MG 1 141 PHE QB 5.500 . 5.500 4.591 4.320 4.817 . 0 0 "[ . 1 . 2]" 1
1404 1 18 ILE QG 1 19 SER H 5.500 . 5.500 3.399 3.321 3.517 . 0 0 "[ . 1 . 2]" 1
1405 1 18 ILE QG 1 20 ALA MB 4.500 . 4.500 3.790 3.723 3.898 . 0 0 "[ . 1 . 2]" 1
1406 1 18 ILE QG 1 23 TYR QE 5.500 . 5.500 3.840 3.766 3.880 . 0 0 "[ . 1 . 2]" 1
1407 1 18 ILE MD 1 19 SER QB 5.500 . 5.500 4.298 4.174 4.671 . 0 0 "[ . 1 . 2]" 1
1408 1 19 SER QB 1 126 LYS QG 5.500 . 5.500 4.900 3.879 5.512 0.012 12 0 "[ . 1 . 2]" 1
1409 1 19 SER QB 1 126 LYS QD 5.500 . 5.500 4.546 3.111 5.525 0.025 18 0 "[ . 1 . 2]" 1
1410 1 20 ALA HA 1 124 ASN QB 4.500 . 4.500 2.230 2.080 2.418 . 0 0 "[ . 1 . 2]" 1
1411 1 20 ALA MB 1 124 ASN QB 4.500 . 4.500 2.866 2.393 3.243 . 0 0 "[ . 1 . 2]" 1
1412 1 21 ASP H 1 21 ASP QB 3.500 . 3.500 2.419 2.358 2.467 . 0 0 "[ . 1 . 2]" 1
1413 1 21 ASP H 1 22 ARG QB 5.500 . 5.500 4.799 4.411 5.060 . 0 0 "[ . 1 . 2]" 1
1414 1 21 ASP H 1 124 ASN QB 3.500 . 3.500 1.910 1.784 2.348 0.016 11 0 "[ . 1 . 2]" 1
1415 1 21 ASP HA 1 22 ARG QB 5.500 . 5.500 5.123 4.670 5.417 . 0 0 "[ . 1 . 2]" 1
1416 1 21 ASP QB 1 22 ARG H 3.500 . 3.500 2.335 2.167 2.530 . 0 0 "[ . 1 . 2]" 1
1417 1 21 ASP QB 1 124 ASN QB 4.500 . 4.500 2.870 2.463 3.333 . 0 0 "[ . 1 . 2]" 1
1418 1 22 ARG H 1 22 ARG QB 3.500 . 3.500 2.689 2.570 2.798 . 0 0 "[ . 1 . 2]" 1
1419 1 22 ARG H 1 22 ARG QG 4.500 . 4.500 3.523 2.818 4.310 . 0 0 "[ . 1 . 2]" 1
1420 1 22 ARG H 1 22 ARG QD 5.500 . 5.500 4.343 3.983 4.524 . 0 0 "[ . 1 . 2]" 1
1421 1 22 ARG H 1 124 ASN QB 5.500 . 5.500 3.608 3.207 4.105 . 0 0 "[ . 1 . 2]" 1
1422 1 22 ARG HA 1 22 ARG QD 4.500 . 4.500 2.433 2.311 2.618 . 0 0 "[ . 1 . 2]" 1
1423 1 22 ARG QB 1 22 ARG QD 3.500 . 3.500 2.317 2.201 2.558 . 0 0 "[ . 1 . 2]" 1
1424 1 22 ARG QB 1 44 ASP HA 5.500 . 5.500 3.266 2.565 4.061 . 0 0 "[ . 1 . 2]" 1
1425 1 22 ARG QB 1 123 ILE QG 5.500 . 5.500 2.320 2.071 2.632 . 0 0 "[ . 1 . 2]" 1
1426 1 22 ARG QB 1 123 ILE MD 3.500 . 3.500 2.927 2.535 3.127 . 0 0 "[ . 1 . 2]" 1
1427 1 22 ARG QD 1 44 ASP H 5.500 . 5.500 4.809 4.304 5.496 . 0 0 "[ . 1 . 2]" 1
1428 1 22 ARG QD 1 44 ASP HA 4.500 . 4.500 2.802 2.289 3.649 . 0 0 "[ . 1 . 2]" 1
1429 1 22 ARG QD 1 46 ALA MB 3.500 . 3.500 3.176 2.604 3.511 0.011 5 0 "[ . 1 . 2]" 1
1430 1 23 TYR H 1 44 ASP QB 5.500 . 5.500 5.322 4.768 5.559 0.059 4 0 "[ . 1 . 2]" 1
1431 1 24 SER H 1 25 LEU QB 5.500 . 5.500 5.209 4.769 5.610 0.110 18 0 "[ . 1 . 2]" 1
1432 1 24 SER H 1 25 LEU QD 5.500 . 5.500 4.701 3.569 5.512 0.012 20 0 "[ . 1 . 2]" 1
1433 1 24 SER H 1 121 GLN QB 4.500 . 4.500 3.932 3.280 4.553 0.053 18 0 "[ . 1 . 2]" 1
1434 1 24 SER QB 1 25 LEU H 3.500 . 3.500 3.277 2.709 3.524 0.024 18 0 "[ . 1 . 2]" 1
1435 1 24 SER QB 1 43 PHE HA 5.500 . 5.500 4.053 3.604 4.505 . 0 0 "[ . 1 . 2]" 1
1436 1 24 SER QB 1 44 ASP H 5.500 . 5.500 3.726 3.299 4.400 . 0 0 "[ . 1 . 2]" 1
1437 1 25 LEU H 1 25 LEU QB 3.500 . 3.500 2.771 2.381 3.232 . 0 0 "[ . 1 . 2]" 1
1438 1 25 LEU H 1 25 LEU QD 4.500 . 4.500 3.146 2.229 3.975 . 0 0 "[ . 1 . 2]" 1
1439 1 25 LEU QB 1 42 LEU H 5.500 . 5.500 3.704 2.679 5.036 . 0 0 "[ . 1 . 2]" 1
1440 1 25 LEU QD 1 120 ALA HA 5.500 . 5.500 4.147 3.336 5.019 . 0 0 "[ . 1 . 2]" 1
1441 1 26 PHE HA 1 27 LEU QD 5.500 . 5.500 3.935 2.872 4.960 . 0 0 "[ . 1 . 2]" 1
1442 1 26 PHE HA 1 38 LEU QD 5.500 . 5.500 4.685 4.140 5.031 . 0 0 "[ . 1 . 2]" 1
1443 1 26 PHE HA 1 40 SER QB 4.500 . 4.500 3.182 2.268 4.163 . 0 0 "[ . 1 . 2]" 1
1444 1 26 PHE HA 1 119 VAL QG 5.500 . 5.500 5.144 4.692 5.528 0.028 12 0 "[ . 1 . 2]" 1
1445 1 26 PHE QB 1 38 LEU QD 4.500 . 4.500 2.481 1.995 2.733 . 0 0 "[ . 1 . 2]" 1
1446 1 26 PHE QB 1 40 SER QB 4.500 . 4.500 3.150 2.814 3.740 . 0 0 "[ . 1 . 2]" 1
1447 1 26 PHE QB 1 68 VAL QG 5.500 . 5.500 3.840 3.355 4.421 . 0 0 "[ . 1 . 2]" 1
1448 1 26 PHE QB 1 119 VAL H 5.500 . 5.500 3.243 2.479 4.080 . 0 0 "[ . 1 . 2]" 1
1449 1 26 PHE QB 1 119 VAL HB 5.500 . 5.500 3.538 2.391 4.147 . 0 0 "[ . 1 . 2]" 1
1450 1 26 PHE QB 1 119 VAL QG 5.500 . 5.500 3.000 2.267 3.719 . 0 0 "[ . 1 . 2]" 1
1451 1 26 PHE QD 1 38 LEU QD 5.500 . 5.500 3.358 2.201 3.758 . 0 0 "[ . 1 . 2]" 1
1452 1 26 PHE QD 1 68 VAL QG 4.500 . 4.500 3.434 2.909 3.798 . 0 0 "[ . 1 . 2]" 1
1453 1 26 PHE QD 1 93 VAL QG 5.500 . 5.500 5.286 5.120 5.507 0.007 7 0 "[ . 1 . 2]" 1
1454 1 26 PHE QD 1 119 VAL QG 5.500 . 5.500 3.082 2.497 3.488 . 0 0 "[ . 1 . 2]" 1
1455 1 26 PHE QE 1 68 VAL QG 4.500 . 4.500 2.750 1.943 3.320 . 0 0 "[ . 1 . 2]" 1
1456 1 27 LEU H 1 27 LEU QD 4.500 . 4.500 3.215 2.432 3.898 . 0 0 "[ . 1 . 2]" 1
1457 1 27 LEU H 1 38 LEU QD 4.500 . 4.500 4.203 3.708 4.535 0.035 7 0 "[ . 1 . 2]" 1
1458 1 27 LEU H 1 40 SER QB 5.500 . 5.500 4.807 3.907 5.548 0.048 6 0 "[ . 1 . 2]" 1
1459 1 27 LEU HA 1 27 LEU QD 3.500 . 3.500 2.554 2.105 2.959 . 0 0 "[ . 1 . 2]" 1
1460 1 27 LEU HA 1 28 VAL QG 5.500 . 5.500 3.529 3.409 3.807 . 0 0 "[ . 1 . 2]" 1
1461 1 27 LEU HA 1 38 LEU QD 4.500 . 4.500 4.415 4.041 4.518 0.018 12 0 "[ . 1 . 2]" 1
1462 1 27 LEU HA 1 118 GLY QA 4.500 . 4.500 2.081 1.989 2.225 . 0 0 "[ . 1 . 2]" 1
1463 1 27 LEU QB 1 28 VAL H 4.500 . 4.500 2.839 2.603 3.718 . 0 0 "[ . 1 . 2]" 1
1464 1 27 LEU QD 1 28 VAL H 4.500 . 4.500 3.403 3.027 3.843 . 0 0 "[ . 1 . 2]" 1
1465 1 27 LEU QD 1 41 ARG HA 5.500 . 5.500 4.801 4.111 5.530 0.030 18 0 "[ . 1 . 2]" 1
1466 1 27 LEU QD 1 41 ARG QD 4.500 . 4.500 3.083 2.179 3.809 . 0 0 "[ . 1 . 2]" 1
1467 1 27 LEU QD 1 109 ILE HB 5.500 . 5.500 4.954 4.363 5.503 0.003 15 0 "[ . 1 . 2]" 1
1468 1 27 LEU QD 1 118 GLY QA 3.500 . 3.500 2.970 2.342 3.535 0.035 1 0 "[ . 1 . 2]" 1
1469 1 27 LEU QD 1 119 VAL H 5.500 . 5.500 4.530 3.889 5.060 . 0 0 "[ . 1 . 2]" 1
1470 1 28 VAL H 1 38 LEU QD 4.500 . 4.500 4.416 4.035 4.528 0.028 5 0 "[ . 1 . 2]" 1
1471 1 28 VAL H 1 118 GLY QA 4.500 . 4.500 2.553 2.176 2.680 . 0 0 "[ . 1 . 2]" 1
1472 1 28 VAL HA 1 38 LEU QD 3.500 . 3.500 3.014 2.741 3.200 . 0 0 "[ . 1 . 2]" 1
1473 1 28 VAL HB 1 38 LEU QD 5.500 . 5.500 4.956 3.491 5.321 . 0 0 "[ . 1 . 2]" 1
1474 1 28 VAL QG 1 29 CYS H 3.500 . 3.500 2.681 2.277 2.833 . 0 0 "[ . 1 . 2]" 1
1475 1 28 VAL QG 1 29 CYS HA 4.500 . 4.500 3.550 3.324 3.678 . 0 0 "[ . 1 . 2]" 1
1476 1 28 VAL QG 1 30 GLU H 5.500 . 5.500 4.207 3.997 4.424 . 0 0 "[ . 1 . 2]" 1
1477 1 28 VAL QG 1 30 GLU HB3 5.500 . 5.500 4.077 3.850 4.283 . 0 0 "[ . 1 . 2]" 1
1478 1 28 VAL QG 1 30 GLU HB2 5.500 . 5.500 5.167 4.959 5.528 0.028 5 0 "[ . 1 . 2]" 1
1479 1 28 VAL QG 1 30 GLU QG 4.500 . 4.500 2.793 2.578 3.431 . 0 0 "[ . 1 . 2]" 1
1480 1 28 VAL QG 1 36 LYS HD3 3.500 . 3.500 2.951 2.124 3.361 . 0 0 "[ . 1 . 2]" 1
1481 1 28 VAL QG 1 36 LYS HD2 3.500 . 3.500 2.421 2.075 3.520 0.020 5 0 "[ . 1 . 2]" 1
1482 1 28 VAL QG 1 36 LYS QE 4.500 . 4.500 3.802 1.997 4.134 . 0 0 "[ . 1 . 2]" 1
1483 1 28 VAL QG 1 38 LEU HA 4.500 . 4.500 4.507 4.389 4.560 0.060 18 0 "[ . 1 . 2]" 1
1484 1 28 VAL QG 1 38 LEU HG 4.500 . 4.500 4.246 3.671 4.479 . 0 0 "[ . 1 . 2]" 1
1485 1 28 VAL QG 1 38 LEU QD 3.500 . 3.500 3.053 2.823 3.564 0.064 11 0 "[ . 1 . 2]" 1
1486 1 28 VAL QG 1 63 TRP QB 5.500 . 5.500 4.657 4.343 4.829 . 0 0 "[ . 1 . 2]" 1
1487 1 28 VAL QG 1 63 TRP HE1 5.500 . 5.500 4.867 4.733 4.969 . 0 0 "[ . 1 . 2]" 1
1488 1 28 VAL QG 1 63 TRP HH2 3.500 . 3.500 2.130 1.978 2.697 . 0 0 "[ . 1 . 2]" 1
1489 1 28 VAL QG 1 118 GLY QA 3.500 . 3.500 2.325 2.108 3.189 . 0 0 "[ . 1 . 2]" 1
1490 1 29 CYS H 1 37 PHE QB 5.500 . 5.500 5.423 5.254 5.509 0.009 18 0 "[ . 1 . 2]" 1
1491 1 29 CYS H 1 38 LEU QD 5.500 . 5.500 4.084 3.863 4.349 . 0 0 "[ . 1 . 2]" 1
1492 1 30 GLU QG 1 31 ASP H 5.500 . 5.500 4.293 4.189 4.412 . 0 0 "[ . 1 . 2]" 1
1493 1 30 GLU QG 1 36 LYS HG3 4.500 . 4.500 3.080 2.441 3.136 . 0 0 "[ . 1 . 2]" 1
1494 1 30 GLU QG 1 36 LYS HG2 4.500 . 4.500 4.497 3.741 4.548 0.048 10 0 "[ . 1 . 2]" 1
1495 1 30 GLU QG 1 36 LYS HD3 5.500 . 5.500 2.697 2.307 4.340 . 0 0 "[ . 1 . 2]" 1
1496 1 31 ASP H 1 31 ASP QB 3.500 . 3.500 2.426 2.359 2.463 . 0 0 "[ . 1 . 2]" 1
1497 1 31 ASP QB 1 37 PHE QD 5.500 . 5.500 4.557 4.230 4.946 . 0 0 "[ . 1 . 2]" 1
1498 1 31 ASP QB 1 37 PHE QE 4.500 . 4.500 2.890 2.320 3.613 . 0 0 "[ . 1 . 2]" 1
1499 1 32 SER QB 1 33 SER H 4.500 . 4.500 3.483 3.270 3.799 . 0 0 "[ . 1 . 2]" 1
1500 1 33 SER HA 1 34 LYS QB 4.500 . 4.500 4.157 4.088 4.202 . 0 0 "[ . 1 . 2]" 1
1501 1 33 SER HA 1 34 LYS QG 5.500 . 5.500 4.160 3.992 4.661 . 0 0 "[ . 1 . 2]" 1
1502 1 33 SER QB 1 34 LYS H 4.500 . 4.500 3.688 3.675 3.703 . 0 0 "[ . 1 . 2]" 1
1503 1 33 SER QB 1 35 ASP H 4.500 . 4.500 4.518 4.506 4.525 0.025 9 0 "[ . 1 . 2]" 1
1504 1 33 SER QB 1 35 ASP HB3 5.500 . 5.500 4.256 4.229 4.332 . 0 0 "[ . 1 . 2]" 1
1505 1 33 SER QB 1 35 ASP HB2 5.500 . 5.500 3.513 3.323 3.598 . 0 0 "[ . 1 . 2]" 1
1506 1 34 LYS H 1 34 LYS QG 4.500 . 4.500 2.855 2.782 3.169 . 0 0 "[ . 1 . 2]" 1
1507 1 34 LYS HA 1 34 LYS QG 3.500 . 3.500 2.531 2.256 2.680 . 0 0 "[ . 1 . 2]" 1
1508 1 34 LYS HA 1 34 LYS QD 3.500 . 3.500 2.584 2.356 3.543 0.043 4 0 "[ . 1 . 2]" 1
1509 1 34 LYS QB 1 34 LYS QE 3.500 . 3.500 3.455 2.463 3.669 0.169 14 0 "[ . 1 . 2]" 1
1510 1 34 LYS QB 1 35 ASP H 4.500 . 4.500 3.908 3.899 3.920 . 0 0 "[ . 1 . 2]" 1
1511 1 34 LYS QE 1 34 LYS QG 3.500 . 3.500 2.175 2.120 2.432 . 0 0 "[ . 1 . 2]" 1
1512 1 34 LYS QG 1 35 ASP H 5.500 . 5.500 4.612 4.423 4.690 . 0 0 "[ . 1 . 2]" 1
1513 1 36 LYS H 1 36 LYS QE 5.500 . 5.500 4.458 4.340 5.234 . 0 0 "[ . 1 . 2]" 1
1514 1 36 LYS HB3 1 36 LYS QE 3.500 . 3.500 2.455 2.288 3.710 0.210 5 0 "[ . 1 . 2]" 1
1515 1 36 LYS HB3 1 63 TRP QB 5.500 . 5.500 2.516 2.064 2.757 . 0 0 "[ . 1 . 2]" 1
1516 1 36 LYS HB2 1 36 LYS QE 4.500 . 4.500 2.203 2.154 2.690 . 0 0 "[ . 1 . 2]" 1
1517 1 36 LYS QE 1 63 TRP HE1 5.500 . 5.500 2.687 2.367 5.295 . 0 0 "[ . 1 . 2]" 1
1518 1 36 LYS QE 1 63 TRP HZ2 5.500 . 5.500 3.933 3.761 5.045 . 0 0 "[ . 1 . 2]" 1
1519 1 36 LYS QE 1 63 TRP HH2 5.500 . 5.500 5.183 5.102 5.524 0.024 13 0 "[ . 1 . 2]" 1
1520 1 37 PHE H 1 37 PHE QB 3.500 . 3.500 3.280 3.258 3.321 . 0 0 "[ . 1 . 2]" 1
1521 1 37 PHE HA 1 38 LEU QD 5.500 . 5.500 3.968 3.375 4.160 . 0 0 "[ . 1 . 2]" 1
1522 1 37 PHE HA 1 63 TRP QB 4.500 . 4.500 2.523 2.320 2.845 . 0 0 "[ . 1 . 2]" 1
1523 1 37 PHE QB 1 38 LEU H 3.500 . 3.500 2.366 2.252 2.464 . 0 0 "[ . 1 . 2]" 1
1524 1 37 PHE QB 1 62 GLU HA 5.500 . 5.500 2.983 2.555 3.176 . 0 0 "[ . 1 . 2]" 1
1525 1 37 PHE QD 1 39 ILE QG 4.500 . 4.500 2.466 2.143 2.778 . 0 0 "[ . 1 . 2]" 1
1526 1 37 PHE QD 1 60 ARG QG 4.500 . 4.500 3.887 3.106 4.566 0.066 14 0 "[ . 1 . 2]" 1
1527 1 37 PHE QD 1 60 ARG QD 5.500 . 5.500 4.736 3.852 5.543 0.043 6 0 "[ . 1 . 2]" 1
1528 1 37 PHE QE 1 60 ARG QG 5.500 . 5.500 5.188 4.807 5.574 0.074 15 0 "[ . 1 . 2]" 1
1529 1 38 LEU H 1 38 LEU QD 4.500 . 4.500 3.190 2.741 3.307 . 0 0 "[ . 1 . 2]" 1
1530 1 38 LEU HA 1 38 LEU QD 3.500 . 3.500 2.544 2.383 2.937 . 0 0 "[ . 1 . 2]" 1
1531 1 38 LEU HB3 1 68 VAL QG 5.500 . 5.500 3.837 3.686 3.998 . 0 0 "[ . 1 . 2]" 1
1532 1 38 LEU HB2 1 68 VAL QG 5.500 . 5.500 3.919 3.504 4.057 . 0 0 "[ . 1 . 2]" 1
1533 1 38 LEU HG 1 68 VAL QG 4.500 . 4.500 4.182 4.126 4.262 . 0 0 "[ . 1 . 2]" 1
1534 1 38 LEU QD 1 39 ILE H 3.500 . 3.500 3.552 3.514 3.581 0.081 11 0 "[ . 1 . 2]" 1
1535 1 38 LEU QD 1 61 LEU HG 4.500 . 4.500 2.776 2.325 3.044 . 0 0 "[ . 1 . 2]" 1
1536 1 38 LEU QD 1 61 LEU MD1 3.500 . 3.500 2.096 1.971 2.506 . 0 0 "[ . 1 . 2]" 1
1537 1 38 LEU QD 1 63 TRP HA 4.500 . 4.500 2.589 2.219 2.889 . 0 0 "[ . 1 . 2]" 1
1538 1 38 LEU QD 1 63 TRP HH2 5.500 . 5.500 3.770 3.638 3.929 . 0 0 "[ . 1 . 2]" 1
1539 1 38 LEU QD 1 65 LYS H 4.500 . 4.500 4.109 3.931 4.254 . 0 0 "[ . 1 . 2]" 1
1540 1 38 LEU QD 1 66 GLY H 5.500 . 5.500 4.192 4.012 4.417 . 0 0 "[ . 1 . 2]" 1
1541 1 38 LEU QD 1 68 VAL HB 5.500 . 5.500 3.780 3.211 4.080 . 0 0 "[ . 1 . 2]" 1
1542 1 38 LEU QD 1 68 VAL QG 3.500 . 3.500 1.899 1.834 1.969 . 0 0 "[ . 1 . 2]" 1
1543 1 38 LEU QD 1 69 GLY HA3 3.500 . 3.500 3.562 3.488 3.630 0.130 11 0 "[ . 1 . 2]" 1
1544 1 38 LEU QD 1 69 GLY HA2 4.500 . 4.500 2.746 2.537 2.886 . 0 0 "[ . 1 . 2]" 1
1545 1 38 LEU QD 1 118 GLY QA 4.500 . 4.500 3.899 3.603 4.090 . 0 0 "[ . 1 . 2]" 1
1546 1 39 ILE H 1 39 ILE QG 4.500 . 4.500 3.179 2.822 3.507 . 0 0 "[ . 1 . 2]" 1
1547 1 39 ILE MG 1 58 CYS QB 4.500 . 4.500 3.137 2.861 3.394 . 0 0 "[ . 1 . 2]" 1
1548 1 39 ILE MG 1 60 ARG QB 3.500 . 3.500 3.469 3.100 3.613 0.113 14 0 "[ . 1 . 2]" 1
1549 1 39 ILE MG 1 60 ARG QD 4.500 . 4.500 3.845 2.956 4.504 0.004 15 0 "[ . 1 . 2]" 1
1550 1 39 ILE QG 1 40 SER H 5.500 . 5.500 4.203 3.833 4.474 . 0 0 "[ . 1 . 2]" 1
1551 1 39 ILE QG 1 60 ARG HA 3.500 . 3.500 3.093 2.953 3.265 . 0 0 "[ . 1 . 2]" 1
1552 1 39 ILE QG 1 60 ARG QD 5.500 . 5.500 3.157 2.589 3.917 . 0 0 "[ . 1 . 2]" 1
1553 1 39 ILE MD 1 60 ARG QB 5.500 . 5.500 3.743 2.948 4.375 . 0 0 "[ . 1 . 2]" 1
1554 1 39 ILE MD 1 60 ARG QG 4.500 . 4.500 3.134 2.392 4.140 . 0 0 "[ . 1 . 2]" 1
1555 1 39 ILE MD 1 60 ARG QD 4.500 . 4.500 3.290 2.825 4.196 . 0 0 "[ . 1 . 2]" 1
1556 1 41 ARG HA 1 41 ARG QD 3.500 . 3.500 2.603 2.286 3.327 . 0 0 "[ . 1 . 2]" 1
1557 1 41 ARG QB 1 41 ARG QD 3.500 . 3.500 2.318 2.204 2.470 . 0 0 "[ . 1 . 2]" 1
1558 1 41 ARG QB 1 42 LEU QD 5.500 . 5.500 2.859 2.050 3.493 . 0 0 "[ . 1 . 2]" 1
1559 1 42 LEU H 1 42 LEU QB 3.500 . 3.500 2.445 2.162 2.596 . 0 0 "[ . 1 . 2]" 1
1560 1 42 LEU H 1 42 LEU QD 3.500 . 3.500 2.949 2.102 3.350 . 0 0 "[ . 1 . 2]" 1
1561 1 42 LEU H 1 51 LEU QD 5.500 . 5.500 5.576 5.531 5.617 0.117 11 0 "[ . 1 . 2]" 1
1562 1 42 LEU HA 1 42 LEU QD 3.500 . 3.500 2.387 2.090 3.026 . 0 0 "[ . 1 . 2]" 1
1563 1 42 LEU QD 1 51 LEU HA 4.500 . 4.500 3.102 2.750 3.497 . 0 0 "[ . 1 . 2]" 1
1564 1 42 LEU QD 1 51 LEU QD 4.500 . 4.500 1.864 1.752 2.130 0.048 12 0 "[ . 1 . 2]" 1
1565 1 42 LEU QD 1 52 GLU HA 5.500 . 5.500 5.349 5.106 5.570 0.070 2 0 "[ . 1 . 2]" 1
1566 1 42 LEU QD 1 54 ALA HA 5.500 . 5.500 4.344 3.869 4.897 . 0 0 "[ . 1 . 2]" 1
1567 1 42 LEU QD 1 54 ALA MB 3.500 . 3.500 2.171 1.945 2.714 . 0 0 "[ . 1 . 2]" 1
1568 1 42 LEU QD 1 55 SER HA 4.500 . 4.500 3.285 2.492 4.490 . 0 0 "[ . 1 . 2]" 1
1569 1 42 LEU QD 1 55 SER QB 4.500 . 4.500 3.539 2.892 4.521 0.021 5 0 "[ . 1 . 2]" 1
1570 1 43 PHE H 1 43 PHE QB 3.500 . 3.500 2.507 2.451 2.582 . 0 0 "[ . 1 . 2]" 1
1571 1 43 PHE QB 1 44 ASP H 4.500 . 4.500 3.664 3.396 3.783 . 0 0 "[ . 1 . 2]" 1
1572 1 43 PHE QB 1 59 ILE MG 4.500 . 4.500 4.508 4.464 4.553 0.053 14 0 "[ . 1 . 2]" 1
1573 1 43 PHE QD 1 44 ASP QB 4.500 . 4.500 3.590 3.251 3.947 . 0 0 "[ . 1 . 2]" 1
1574 1 43 PHE QD 1 93 VAL QG 5.500 . 5.500 4.577 4.477 4.731 . 0 0 "[ . 1 . 2]" 1
1575 1 43 PHE QE 1 93 VAL QG 3.500 . 3.500 2.979 2.848 3.097 . 0 0 "[ . 1 . 2]" 1
1576 1 44 ASP QB 1 45 VAL H 4.500 . 4.500 3.804 3.666 4.027 . 0 0 "[ . 1 . 2]" 1
1577 1 45 VAL HA 1 49 SER QB 5.500 . 5.500 3.746 3.381 4.280 . 0 0 "[ . 1 . 2]" 1
1578 1 46 ALA H 1 49 SER QB 4.500 . 4.500 2.704 2.273 3.275 . 0 0 "[ . 1 . 2]" 1
1579 1 46 ALA MB 1 49 SER QB 3.500 . 3.500 3.253 2.737 3.533 0.033 5 0 "[ . 1 . 2]" 1
1580 1 47 GLU H 1 47 GLU QB 3.500 . 3.500 2.388 2.097 2.743 . 0 0 "[ . 1 . 2]" 1
1581 1 47 GLU H 1 47 GLU QG 4.500 . 4.500 2.983 1.886 3.934 . 0 0 "[ . 1 . 2]" 1
1582 1 47 GLU HA 1 47 GLU QG 3.500 . 3.500 2.676 2.219 3.372 . 0 0 "[ . 1 . 2]" 1
1583 1 47 GLU QB 1 49 SER H 5.500 . 5.500 5.343 5.027 5.510 0.010 7 0 "[ . 1 . 2]" 1
1584 1 49 SER H 1 49 SER QB 3.500 . 3.500 2.654 2.473 3.035 . 0 0 "[ . 1 . 2]" 1
1585 1 49 SER HA 1 53 GLU QB 5.500 . 5.500 4.324 3.762 4.757 . 0 0 "[ . 1 . 2]" 1
1586 1 49 SER HA 1 53 GLU QG 5.500 . 5.500 4.864 4.135 5.527 0.027 14 0 "[ . 1 . 2]" 1
1587 1 49 SER QB 1 50 THR H 3.500 . 3.500 2.621 2.486 2.938 . 0 0 "[ . 1 . 2]" 1
1588 1 49 SER QB 1 50 THR MG 4.500 . 4.500 4.098 3.838 4.517 0.017 5 0 "[ . 1 . 2]" 1
1589 1 49 SER QB 1 53 GLU QB 4.500 . 4.500 3.097 2.652 3.395 . 0 0 "[ . 1 . 2]" 1
1590 1 49 SER QB 1 53 GLU QG 4.500 . 4.500 4.177 3.657 4.528 0.028 15 0 "[ . 1 . 2]" 1
1591 1 49 SER QB 1 54 ALA MB 5.500 . 5.500 3.975 3.521 4.491 . 0 0 "[ . 1 . 2]" 1
1592 1 50 THR H 1 53 GLU QB 4.500 . 4.500 2.867 2.373 3.286 . 0 0 "[ . 1 . 2]" 1
1593 1 50 THR HA 1 53 GLU QB 5.500 . 5.500 4.767 4.280 5.063 . 0 0 "[ . 1 . 2]" 1
1594 1 50 THR MG 1 51 LEU QD 5.500 . 5.500 5.267 5.067 5.538 0.038 5 0 "[ . 1 . 2]" 1
1595 1 50 THR MG 1 52 GLU QB 5.500 . 5.500 3.040 2.390 4.526 . 0 0 "[ . 1 . 2]" 1
1596 1 50 THR MG 1 53 GLU QG 4.500 . 4.500 3.212 2.041 4.512 0.012 7 0 "[ . 1 . 2]" 1
1597 1 51 LEU H 1 51 LEU QB 3.500 . 3.500 2.174 2.153 2.205 . 0 0 "[ . 1 . 2]" 1
1598 1 51 LEU H 1 51 LEU QD 4.500 . 4.500 3.584 3.519 3.752 . 0 0 "[ . 1 . 2]" 1
1599 1 51 LEU HA 1 51 LEU QD 3.500 . 3.500 2.220 2.059 2.926 . 0 0 "[ . 1 . 2]" 1
1600 1 51 LEU QB 1 52 GLU H 3.500 . 3.500 2.578 2.485 2.663 . 0 0 "[ . 1 . 2]" 1
1601 1 51 LEU QB 1 52 GLU HA 5.500 . 5.500 3.865 3.806 3.900 . 0 0 "[ . 1 . 2]" 1
1602 1 51 LEU QB 1 53 GLU H 5.500 . 5.500 4.587 4.458 4.640 . 0 0 "[ . 1 . 2]" 1
1603 1 51 LEU QD 1 52 GLU HA 5.500 . 5.500 4.259 3.382 4.607 . 0 0 "[ . 1 . 2]" 1
1604 1 51 LEU QD 1 54 ALA HA 5.500 . 5.500 5.550 5.524 5.580 0.080 15 0 "[ . 1 . 2]" 1
1605 1 51 LEU QD 1 54 ALA MB 3.500 . 3.500 3.018 2.905 3.303 . 0 0 "[ . 1 . 2]" 1
1606 1 51 LEU QD 1 55 SER HA 5.500 . 5.500 4.791 4.118 5.406 . 0 0 "[ . 1 . 2]" 1
1607 1 51 LEU QD 1 55 SER QB 4.500 . 4.500 3.632 2.682 4.239 . 0 0 "[ . 1 . 2]" 1
1608 1 52 GLU H 1 52 GLU QG 4.500 . 4.500 3.848 3.776 3.874 . 0 0 "[ . 1 . 2]" 1
1609 1 52 GLU HA 1 52 GLU QG 3.500 . 3.500 2.302 2.276 2.320 . 0 0 "[ . 1 . 2]" 1
1610 1 52 GLU HA 1 55 SER QB 5.500 . 5.500 2.815 2.314 3.508 . 0 0 "[ . 1 . 2]" 1
1611 1 52 GLU QB 1 53 GLU H 3.500 . 3.500 2.833 2.735 2.925 . 0 0 "[ . 1 . 2]" 1
1612 1 52 GLU QB 1 55 SER H 5.500 . 5.500 4.928 4.724 5.030 . 0 0 "[ . 1 . 2]" 1
1613 1 52 GLU QG 1 55 SER H 5.500 . 5.500 4.818 4.440 5.031 . 0 0 "[ . 1 . 2]" 1
1614 1 52 GLU QG 1 56 ASN H 5.500 . 5.500 5.446 5.080 5.534 0.034 15 0 "[ . 1 . 2]" 1
1615 1 53 GLU HA 1 53 GLU QG 3.500 . 3.500 2.470 2.244 2.678 . 0 0 "[ . 1 . 2]" 1
1616 1 53 GLU HA 1 56 ASN QB 5.500 . 5.500 3.721 3.023 4.389 . 0 0 "[ . 1 . 2]" 1
1617 1 53 GLU QB 1 54 ALA H 3.500 . 3.500 3.053 2.863 3.138 . 0 0 "[ . 1 . 2]" 1
1618 1 53 GLU QG 1 54 ALA MB 5.500 . 5.500 5.142 4.808 5.415 . 0 0 "[ . 1 . 2]" 1
1619 1 54 ALA H 1 55 SER QB 4.500 . 4.500 4.085 3.871 4.388 . 0 0 "[ . 1 . 2]" 1
1620 1 55 SER H 1 55 SER QB 3.500 . 3.500 2.431 2.300 2.778 . 0 0 "[ . 1 . 2]" 1
1621 1 55 SER QB 1 56 ASN H 4.500 . 4.500 3.331 3.027 3.733 . 0 0 "[ . 1 . 2]" 1
1622 1 56 ASN H 1 56 ASN QB 3.500 . 3.500 2.339 2.285 2.797 . 0 0 "[ . 1 . 2]" 1
1623 1 58 CYS QB 1 59 ILE H 4.500 . 4.500 2.539 2.436 2.631 . 0 0 "[ . 1 . 2]" 1
1624 1 58 CYS QB 1 59 ILE HG12 5.500 . 5.500 5.481 5.368 5.546 0.046 6 0 "[ . 1 . 2]" 1
1625 1 59 ILE MG 1 93 VAL QG 4.500 . 4.500 1.818 1.782 1.862 0.018 13 0 "[ . 1 . 2]" 1
1626 1 59 ILE MG 1 96 ILE QG 5.500 . 5.500 3.049 2.865 3.173 . 0 0 "[ . 1 . 2]" 1
1627 1 59 ILE HG13 1 93 VAL QG 4.500 . 4.500 4.093 3.827 4.233 . 0 0 "[ . 1 . 2]" 1
1628 1 59 ILE MD 1 93 VAL QG 3.500 . 3.500 2.698 2.517 2.854 . 0 0 "[ . 1 . 2]" 1
1629 1 60 ARG H 1 60 ARG QB 3.500 . 3.500 2.610 2.464 3.033 . 0 0 "[ . 1 . 2]" 1
1630 1 60 ARG H 1 60 ARG QG 4.500 . 4.500 3.433 2.356 4.109 . 0 0 "[ . 1 . 2]" 1
1631 1 60 ARG HA 1 60 ARG QD 4.500 . 4.500 4.065 3.838 4.473 . 0 0 "[ . 1 . 2]" 1
1632 1 60 ARG QB 1 60 ARG QD 3.500 . 3.500 2.154 2.096 2.291 . 0 0 "[ . 1 . 2]" 1
1633 1 60 ARG QB 1 61 LEU H 4.500 . 4.500 3.624 3.332 3.884 . 0 0 "[ . 1 . 2]" 1
1634 1 60 ARG QG 1 61 LEU H 4.500 . 4.500 3.693 3.044 4.387 . 0 0 "[ . 1 . 2]" 1
1635 1 61 LEU MD1 1 93 VAL QG 4.500 . 4.500 3.853 3.779 3.990 . 0 0 "[ . 1 . 2]" 1
1636 1 61 LEU MD2 1 93 VAL QG 4.500 . 4.500 2.582 2.476 2.699 . 0 0 "[ . 1 . 2]" 1
1637 1 62 GLU H 1 65 LYS QE 5.500 . 5.500 5.427 5.127 5.539 0.039 1 0 "[ . 1 . 2]" 1
1638 1 62 GLU HB3 1 65 LYS QG 5.500 . 5.500 3.463 2.463 4.604 . 0 0 "[ . 1 . 2]" 1
1639 1 62 GLU HB3 1 65 LYS QD 3.500 . 3.500 2.948 2.241 3.559 0.059 19 0 "[ . 1 . 2]" 1
1640 1 62 GLU HB2 1 65 LYS QG 5.500 . 5.500 2.510 2.070 3.755 . 0 0 "[ . 1 . 2]" 1
1641 1 62 GLU HB2 1 65 LYS QD 4.500 . 4.500 2.253 2.046 2.693 . 0 0 "[ . 1 . 2]" 1
1642 1 62 GLU HB2 1 65 LYS QE 5.500 . 5.500 3.659 2.975 4.065 . 0 0 "[ . 1 . 2]" 1
1643 1 62 GLU HG2 1 65 LYS QD 3.500 . 3.500 3.276 2.860 3.566 0.066 17 0 "[ . 1 . 2]" 1
1644 1 62 GLU HG2 1 65 LYS QE 4.500 . 4.500 4.233 3.859 4.494 . 0 0 "[ . 1 . 2]" 1
1645 1 63 TRP H 1 63 TRP QB 3.500 . 3.500 2.281 2.242 2.318 . 0 0 "[ . 1 . 2]" 1
1646 1 63 TRP HD1 1 64 ASN QB 3.500 . 3.500 2.917 2.520 3.364 . 0 0 "[ . 1 . 2]" 1
1647 1 63 TRP HH2 1 119 VAL QG 4.500 . 4.500 3.805 3.508 4.104 . 0 0 "[ . 1 . 2]" 1
1648 1 64 ASN QB 1 65 LYS H 4.500 . 4.500 3.970 3.880 4.093 . 0 0 "[ . 1 . 2]" 1
1649 1 64 ASN QB 1 73 ALA MB 4.500 . 4.500 2.563 2.197 3.618 . 0 0 "[ . 1 . 2]" 1
1650 1 65 LYS H 1 68 VAL QG 5.500 . 5.500 4.722 4.550 4.833 . 0 0 "[ . 1 . 2]" 1
1651 1 65 LYS HA 1 65 LYS QD 3.500 . 3.500 3.126 2.424 3.531 0.031 4 0 "[ . 1 . 2]" 1
1652 1 65 LYS QB 1 65 LYS QE 4.500 . 4.500 3.596 3.482 3.672 . 0 0 "[ . 1 . 2]" 1
1653 1 65 LYS QB 1 66 GLY H 4.500 . 4.500 2.328 2.200 2.476 . 0 0 "[ . 1 . 2]" 1
1654 1 65 LYS QB 1 90 ASN QB 5.500 . 5.500 4.466 4.175 4.676 . 0 0 "[ . 1 . 2]" 1
1655 1 65 LYS QE 1 65 LYS QG 3.500 . 3.500 2.177 2.126 2.306 . 0 0 "[ . 1 . 2]" 1
1656 1 65 LYS QG 1 66 GLY H 4.500 . 4.500 4.014 3.690 4.348 . 0 0 "[ . 1 . 2]" 1
1657 1 66 GLY H 1 68 VAL QG 5.500 . 5.500 4.084 3.843 4.221 . 0 0 "[ . 1 . 2]" 1
1658 1 66 GLY H 1 90 ASN QB 4.500 . 4.500 4.502 4.388 4.536 0.036 1 0 "[ . 1 . 2]" 1
1659 1 66 GLY QA 1 68 VAL QG 5.500 . 5.500 3.578 3.359 3.726 . 0 0 "[ . 1 . 2]" 1
1660 1 66 GLY QA 1 69 GLY H 4.500 . 4.500 3.461 3.401 3.510 . 0 0 "[ . 1 . 2]" 1
1661 1 66 GLY QA 1 69 GLY HA2 5.500 . 5.500 5.535 5.506 5.551 0.051 1 0 "[ . 1 . 2]" 1
1662 1 66 GLY QA 1 89 PHE HA 5.500 . 5.500 2.381 2.233 2.733 . 0 0 "[ . 1 . 2]" 1
1663 1 66 GLY QA 1 90 ASN HA 5.500 . 5.500 4.456 4.322 4.623 . 0 0 "[ . 1 . 2]" 1
1664 1 66 GLY QA 1 90 ASN QB 4.500 . 4.500 3.086 2.965 3.180 . 0 0 "[ . 1 . 2]" 1
1665 1 67 ILE HA 1 70 HIS QB 4.500 . 4.500 3.678 3.483 3.886 . 0 0 "[ . 1 . 2]" 1
1666 1 67 ILE MG 1 86 ASP QB 4.500 . 4.500 3.097 2.722 3.803 . 0 0 "[ . 1 . 2]" 1
1667 1 67 ILE MG 1 89 PHE QB 4.500 . 4.500 3.085 2.891 3.583 . 0 0 "[ . 1 . 2]" 1
1668 1 67 ILE QG 1 83 ALA MB 3.500 . 3.500 2.342 2.170 2.588 . 0 0 "[ . 1 . 2]" 1
1669 1 67 ILE QG 1 90 ASN H 5.500 . 5.500 4.689 4.511 4.846 . 0 0 "[ . 1 . 2]" 1
1670 1 68 VAL HA 1 119 VAL QG 3.500 . 3.500 3.161 2.746 3.443 . 0 0 "[ . 1 . 2]" 1
1671 1 68 VAL HB 1 119 VAL QG 5.500 . 5.500 2.147 2.008 2.241 . 0 0 "[ . 1 . 2]" 1
1672 1 68 VAL QG 1 69 GLY H 3.500 . 3.500 2.546 2.321 2.765 . 0 0 "[ . 1 . 2]" 1
1673 1 68 VAL QG 1 69 GLY HA3 5.500 . 5.500 3.638 3.504 3.772 . 0 0 "[ . 1 . 2]" 1
1674 1 68 VAL QG 1 69 GLY HA2 5.500 . 5.500 3.015 2.888 3.092 . 0 0 "[ . 1 . 2]" 1
1675 1 68 VAL QG 1 72 ALA MB 5.500 . 5.500 2.798 2.603 3.136 . 0 0 "[ . 1 . 2]" 1
1676 1 68 VAL QG 1 73 ALA H 5.500 . 5.500 5.600 5.558 5.652 0.152 13 0 "[ . 1 . 2]" 1
1677 1 68 VAL QG 1 108 PRO HA 5.500 . 5.500 5.596 5.517 5.654 0.154 11 0 "[ . 1 . 2]" 1
1678 1 68 VAL QG 1 119 VAL HA 5.500 . 5.500 5.089 4.832 5.477 . 0 0 "[ . 1 . 2]" 1
1679 1 68 VAL QG 1 119 VAL HB 4.500 . 4.500 3.040 2.732 3.538 . 0 0 "[ . 1 . 2]" 1
1680 1 68 VAL QG 1 119 VAL QG 3.500 . 3.500 2.343 2.067 2.768 . 0 0 "[ . 1 . 2]" 1
1681 1 70 HIS H 1 70 HIS QB 3.500 . 3.500 2.232 2.128 2.339 . 0 0 "[ . 1 . 2]" 1
1682 1 70 HIS QB 1 71 VAL H 3.500 . 3.500 2.613 2.518 2.705 . 0 0 "[ . 1 . 2]" 1
1683 1 70 HIS QB 1 78 LEU QD 4.500 . 4.500 3.279 2.648 4.506 0.006 10 0 "[ . 1 . 2]" 1
1684 1 71 VAL H 1 71 VAL QG 3.500 . 3.500 1.940 1.786 2.276 0.014 9 0 "[ . 1 . 2]" 1
1685 1 71 VAL HA 1 78 LEU QD 5.500 . 5.500 3.925 2.936 4.622 . 0 0 "[ . 1 . 2]" 1
1686 1 71 VAL HA 1 119 VAL QG 5.500 . 5.500 4.975 4.733 5.183 . 0 0 "[ . 1 . 2]" 1
1687 1 71 VAL HB 1 119 VAL QG 3.500 . 3.500 3.261 2.913 3.531 0.031 14 0 "[ . 1 . 2]" 1
1688 1 71 VAL QG 1 72 ALA H 3.500 . 3.500 2.566 2.201 3.425 . 0 0 "[ . 1 . 2]" 1
1689 1 71 VAL QG 1 72 ALA MB 5.500 . 5.500 3.445 3.177 4.191 . 0 0 "[ . 1 . 2]" 1
1690 1 71 VAL QG 1 74 PHE H 5.500 . 5.500 4.628 4.456 4.719 . 0 0 "[ . 1 . 2]" 1
1691 1 71 VAL QG 1 75 GLY H 4.500 . 4.500 3.876 3.395 4.121 . 0 0 "[ . 1 . 2]" 1
1692 1 71 VAL QG 1 76 GLU H 4.500 . 4.500 2.921 2.573 3.136 . 0 0 "[ . 1 . 2]" 1
1693 1 71 VAL QG 1 77 PRO HA 4.500 . 4.500 3.465 3.329 3.630 . 0 0 "[ . 1 . 2]" 1
1694 1 71 VAL QG 1 78 LEU H 3.500 . 3.500 2.539 2.413 2.840 . 0 0 "[ . 1 . 2]" 1
1695 1 71 VAL QG 1 78 LEU HA 5.500 . 5.500 4.100 3.966 4.407 . 0 0 "[ . 1 . 2]" 1
1696 1 71 VAL QG 1 78 LEU HG 4.500 . 4.500 3.984 2.854 4.293 . 0 0 "[ . 1 . 2]" 1
1697 1 71 VAL QG 1 78 LEU QD 3.500 . 3.500 2.491 1.918 3.119 . 0 0 "[ . 1 . 2]" 1
1698 1 71 VAL QG 1 106 CYS H 5.500 . 5.500 4.271 4.170 4.433 . 0 0 "[ . 1 . 2]" 1
1699 1 71 VAL QG 1 106 CYS QB 4.500 . 4.500 2.021 1.892 2.431 . 0 0 "[ . 1 . 2]" 1
1700 1 71 VAL QG 1 107 MET H 5.500 . 5.500 3.707 3.411 4.203 . 0 0 "[ . 1 . 2]" 1
1701 1 71 VAL QG 1 107 MET HA 5.500 . 5.500 3.313 3.051 3.562 . 0 0 "[ . 1 . 2]" 1
1702 1 71 VAL QG 1 108 PRO HA 4.500 . 4.500 3.949 3.456 4.316 . 0 0 "[ . 1 . 2]" 1
1703 1 71 VAL QG 1 108 PRO QB 4.500 . 4.500 3.280 2.250 3.930 . 0 0 "[ . 1 . 2]" 1
1704 1 71 VAL QG 1 108 PRO QD 5.500 . 5.500 2.525 2.018 3.203 . 0 0 "[ . 1 . 2]" 1
1705 1 71 VAL QG 1 119 VAL QG 4.500 . 4.500 2.526 2.061 3.235 . 0 0 "[ . 1 . 2]" 1
1706 1 72 ALA HA 1 119 VAL QG 4.500 . 4.500 2.730 2.483 2.885 . 0 0 "[ . 1 . 2]" 1
1707 1 72 ALA MB 1 119 VAL QG 3.500 . 3.500 2.052 2.006 2.116 . 0 0 "[ . 1 . 2]" 1
1708 1 73 ALA H 1 74 PHE QB 5.500 . 5.500 4.626 4.474 4.819 . 0 0 "[ . 1 . 2]" 1
1709 1 74 PHE H 1 74 PHE QB 3.500 . 3.500 2.377 2.317 2.440 . 0 0 "[ . 1 . 2]" 1
1710 1 74 PHE QB 1 75 GLY H 4.500 . 4.500 2.393 2.353 2.427 . 0 0 "[ . 1 . 2]" 1
1711 1 74 PHE QB 1 75 GLY HA3 5.500 . 5.500 4.305 4.275 4.338 . 0 0 "[ . 1 . 2]" 1
1712 1 74 PHE QB 1 76 GLU H 4.500 . 4.500 3.358 3.216 3.518 . 0 0 "[ . 1 . 2]" 1
1713 1 75 GLY H 1 76 GLU QB 5.500 . 5.500 4.349 4.175 4.726 . 0 0 "[ . 1 . 2]" 1
1714 1 75 GLY HA3 1 116 VAL QG 4.500 . 4.500 3.521 2.767 4.503 0.003 17 0 "[ . 1 . 2]" 1
1715 1 75 GLY HA2 1 110 LYS QE 5.500 . 5.500 3.809 2.949 4.478 . 0 0 "[ . 1 . 2]" 1
1716 1 75 GLY HA2 1 116 VAL QG 5.500 . 5.500 3.764 3.115 4.693 . 0 0 "[ . 1 . 2]" 1
1717 1 76 GLU H 1 76 GLU QB 3.500 . 3.500 2.774 2.575 3.226 . 0 0 "[ . 1 . 2]" 1
1718 1 76 GLU H 1 76 GLU QG 4.500 . 4.500 2.985 2.318 3.308 . 0 0 "[ . 1 . 2]" 1
1719 1 76 GLU HA 1 76 GLU QG 3.500 . 3.500 2.707 2.374 3.370 . 0 0 "[ . 1 . 2]" 1
1720 1 76 GLU HA 1 77 PRO QG 5.500 . 5.500 3.782 3.736 3.867 . 0 0 "[ . 1 . 2]" 1
1721 1 76 GLU QB 1 77 PRO HD2 4.500 . 4.500 2.498 2.444 2.633 . 0 0 "[ . 1 . 2]" 1
1722 1 76 GLU QG 1 77 PRO HD3 4.500 . 4.500 3.856 3.316 4.489 . 0 0 "[ . 1 . 2]" 1
1723 1 76 GLU QG 1 77 PRO HD2 5.500 . 5.500 4.113 3.856 4.355 . 0 0 "[ . 1 . 2]" 1
1724 1 77 PRO HA 1 108 PRO QD 5.500 . 5.500 2.763 2.499 2.979 . 0 0 "[ . 1 . 2]" 1
1725 1 77 PRO QB 1 78 LEU H 4.500 . 4.500 3.591 3.502 3.684 . 0 0 "[ . 1 . 2]" 1
1726 1 77 PRO QB 1 107 MET QB 5.500 . 5.500 4.097 2.728 4.909 . 0 0 "[ . 1 . 2]" 1
1727 1 77 PRO QB 1 108 PRO QD 5.500 . 5.500 3.906 3.653 4.183 . 0 0 "[ . 1 . 2]" 1
1728 1 78 LEU H 1 106 CYS QB 5.500 . 5.500 3.870 3.138 4.782 . 0 0 "[ . 1 . 2]" 1
1729 1 78 LEU HA 1 78 LEU QD 3.500 . 3.500 2.467 2.006 3.004 . 0 0 "[ . 1 . 2]" 1
1730 1 78 LEU QB 1 79 ASN H 4.500 . 4.500 3.195 2.532 3.571 . 0 0 "[ . 1 . 2]" 1
1731 1 78 LEU QD 1 79 ASN H 4.500 . 4.500 2.982 1.787 3.894 0.013 13 0 "[ . 1 . 2]" 1
1732 1 79 ASN H 1 79 ASN QB 3.500 . 3.500 2.779 2.368 3.098 . 0 0 "[ . 1 . 2]" 1
1733 1 79 ASN HA 1 105 LEU QD 3.500 . 3.500 2.530 2.213 2.870 . 0 0 "[ . 1 . 2]" 1
1734 1 79 ASN QB 1 105 LEU QD 4.500 . 4.500 2.604 1.881 3.625 . 0 0 "[ . 1 . 2]" 1
1735 1 79 ASN QB 1 106 CYS H 5.500 . 5.500 4.462 3.865 5.238 . 0 0 "[ . 1 . 2]" 1
1736 1 80 ILE HB 1 104 ILE QG 4.500 . 4.500 3.224 2.933 4.719 0.219 13 0 "[ . 1 . 2]" 1
1737 1 80 ILE MG 1 86 ASP QB 4.500 . 4.500 3.420 3.104 3.711 . 0 0 "[ . 1 . 2]" 1
1738 1 80 ILE MD 1 86 ASP QB 4.500 . 4.500 4.256 3.866 4.506 0.006 14 0 "[ . 1 . 2]" 1
1739 1 81 LYS H 1 81 LYS QB 3.500 . 3.500 2.308 2.180 2.442 . 0 0 "[ . 1 . 2]" 1
1740 1 81 LYS H 1 81 LYS QG 4.500 . 4.500 3.167 2.511 4.092 . 0 0 "[ . 1 . 2]" 1
1741 1 81 LYS HA 1 81 LYS QG 3.500 . 3.500 2.371 2.181 2.577 . 0 0 "[ . 1 . 2]" 1
1742 1 81 LYS HA 1 81 LYS QD 4.500 . 4.500 3.239 2.388 3.932 . 0 0 "[ . 1 . 2]" 1
1743 1 81 LYS QB 1 82 ASP H 3.500 . 3.500 2.702 2.525 3.069 . 0 0 "[ . 1 . 2]" 1
1744 1 81 LYS QB 1 132 THR HB 5.500 . 5.500 5.184 4.173 5.571 0.071 11 0 "[ . 1 . 2]" 1
1745 1 81 LYS QB 1 132 THR MG 4.500 . 4.500 3.381 2.750 4.110 . 0 0 "[ . 1 . 2]" 1
1746 1 81 LYS QG 1 82 ASP H 4.500 . 4.500 4.175 3.985 4.441 . 0 0 "[ . 1 . 2]" 1
1747 1 81 LYS QG 1 132 THR HB 4.500 . 4.500 4.115 2.550 4.541 0.041 18 0 "[ . 1 . 2]" 1
1748 1 81 LYS QG 1 132 THR MG 3.500 . 3.500 2.528 1.955 3.541 0.041 10 0 "[ . 1 . 2]" 1
1749 1 81 LYS QD 1 132 THR MG 4.500 . 4.500 2.940 1.995 3.877 . 0 0 "[ . 1 . 2]" 1
1750 1 82 ASP H 1 82 ASP QB 3.500 . 3.500 3.121 2.723 3.471 . 0 0 "[ . 1 . 2]" 1
1751 1 82 ASP QB 1 83 ALA H 4.500 . 4.500 3.644 3.493 3.917 . 0 0 "[ . 1 . 2]" 1
1752 1 82 ASP QB 1 85 GLU H 4.500 . 4.500 3.081 2.883 3.450 . 0 0 "[ . 1 . 2]" 1
1753 1 82 ASP QB 1 85 GLU QB 4.500 . 4.500 2.223 2.131 2.432 . 0 0 "[ . 1 . 2]" 1
1754 1 83 ALA H 1 86 ASP QB 5.500 . 5.500 4.517 4.373 5.296 . 0 0 "[ . 1 . 2]" 1
1755 1 83 ALA MB 1 86 ASP QB 5.500 . 5.500 3.948 3.780 5.035 . 0 0 "[ . 1 . 2]" 1
1756 1 83 ALA MB 1 89 PHE QB 5.500 . 5.500 3.283 2.839 3.909 . 0 0 "[ . 1 . 2]" 1
1757 1 83 ALA MB 1 104 ILE QG 5.500 . 5.500 3.244 2.848 4.519 . 0 0 "[ . 1 . 2]" 1
1758 1 84 TYR H 1 89 PHE QB 5.500 . 5.500 4.491 4.338 4.817 . 0 0 "[ . 1 . 2]" 1
1759 1 84 TYR HA 1 89 PHE QB 4.500 . 4.500 3.228 2.664 3.546 . 0 0 "[ . 1 . 2]" 1
1760 1 84 TYR QD 1 93 VAL QG 5.500 . 5.500 4.956 4.777 5.141 . 0 0 "[ . 1 . 2]" 1
1761 1 84 TYR QE 1 93 VAL QG 4.500 . 4.500 3.306 3.091 3.537 . 0 0 "[ . 1 . 2]" 1
1762 1 84 TYR QE 1 94 ASP QB 4.500 . 4.500 2.592 2.240 4.052 . 0 0 "[ . 1 . 2]" 1
1763 1 85 GLU H 1 85 GLU QB 3.500 . 3.500 2.485 2.447 2.520 . 0 0 "[ . 1 . 2]" 1
1764 1 85 GLU H 1 85 GLU QG 4.500 . 4.500 3.115 3.075 3.222 . 0 0 "[ . 1 . 2]" 1
1765 1 85 GLU H 1 86 ASP QB 4.500 . 4.500 3.634 3.535 4.313 . 0 0 "[ . 1 . 2]" 1
1766 1 85 GLU QB 1 86 ASP H 4.500 . 4.500 3.638 3.596 3.697 . 0 0 "[ . 1 . 2]" 1
1767 1 86 ASP H 1 87 PRO QD 5.500 . 5.500 4.502 4.471 4.520 . 0 0 "[ . 1 . 2]" 1
1768 1 86 ASP H 1 89 PHE QB 4.500 . 4.500 3.080 2.804 3.283 . 0 0 "[ . 1 . 2]" 1
1769 1 86 ASP HA 1 87 PRO QG 4.500 . 4.500 4.103 4.018 4.186 . 0 0 "[ . 1 . 2]" 1
1770 1 86 ASP HA 1 87 PRO QD 3.500 . 3.500 2.205 2.126 2.281 . 0 0 "[ . 1 . 2]" 1
1771 1 86 ASP QB 1 87 PRO QD 5.500 . 5.500 2.946 2.129 3.280 . 0 0 "[ . 1 . 2]" 1
1772 1 87 PRO QG 1 88 ARG H 4.500 . 4.500 2.740 2.327 3.243 . 0 0 "[ . 1 . 2]" 1
1773 1 87 PRO QD 1 88 ARG H 5.500 . 5.500 2.975 2.773 3.255 . 0 0 "[ . 1 . 2]" 1
1774 1 88 ARG H 1 89 PHE QB 4.500 . 4.500 3.920 3.719 4.149 . 0 0 "[ . 1 . 2]" 1
1775 1 89 PHE H 1 89 PHE QB 3.500 . 3.500 2.848 2.780 2.911 . 0 0 "[ . 1 . 2]" 1
1776 1 90 ASN QB 1 91 ALA H 4.500 . 4.500 3.600 3.493 3.693 . 0 0 "[ . 1 . 2]" 1
1777 1 90 ASN QB 1 93 VAL H 5.500 . 5.500 3.350 3.219 3.495 . 0 0 "[ . 1 . 2]" 1
1778 1 91 ALA HA 1 94 ASP QB 5.500 . 5.500 2.793 2.619 2.900 . 0 0 "[ . 1 . 2]" 1
1779 1 91 ALA MB 1 94 ASP QB 5.500 . 5.500 3.446 3.244 3.555 . 0 0 "[ . 1 . 2]" 1
1780 1 91 ALA MB 1 95 GLN QG 4.500 . 4.500 3.782 3.616 4.064 . 0 0 "[ . 1 . 2]" 1
1781 1 92 GLU HA 1 95 GLN QB 3.500 . 3.500 3.246 3.127 3.380 . 0 0 "[ . 1 . 2]" 1
1782 1 92 GLU HA 1 95 GLN QG 4.500 . 4.500 2.881 2.809 2.958 . 0 0 "[ . 1 . 2]" 1
1783 1 92 GLU QB 1 93 VAL H 4.500 . 4.500 2.878 2.637 3.686 . 0 0 "[ . 1 . 2]" 1
1784 1 92 GLU QB 1 93 VAL QG 4.500 . 4.500 3.336 3.120 4.143 . 0 0 "[ . 1 . 2]" 1
1785 1 92 GLU HG3 1 93 VAL QG 5.500 . 5.500 4.748 2.448 5.335 . 0 0 "[ . 1 . 2]" 1
1786 1 92 GLU HG2 1 93 VAL QG 5.500 . 5.500 5.239 3.724 5.599 0.099 19 0 "[ . 1 . 2]" 1
1787 1 93 VAL H 1 93 VAL QG 3.500 . 3.500 2.174 2.122 2.288 . 0 0 "[ . 1 . 2]" 1
1788 1 93 VAL HA 1 96 ILE QG 4.500 . 4.500 2.413 2.315 2.511 . 0 0 "[ . 1 . 2]" 1
1789 1 93 VAL QG 1 94 ASP HA 5.500 . 5.500 3.803 3.731 3.943 . 0 0 "[ . 1 . 2]" 1
1790 1 93 VAL QG 1 95 GLN H 5.500 . 5.500 4.385 4.352 4.409 . 0 0 "[ . 1 . 2]" 1
1791 1 93 VAL QG 1 96 ILE HB 5.500 . 5.500 4.928 4.817 5.118 . 0 0 "[ . 1 . 2]" 1
1792 1 93 VAL QG 1 97 THR MG 3.500 . 3.500 1.919 1.890 1.949 . 0 0 "[ . 1 . 2]" 1
1793 1 94 ASP QB 1 95 GLN H 3.500 . 3.500 2.953 2.926 2.960 . 0 0 "[ . 1 . 2]" 1
1794 1 95 GLN H 1 95 GLN QB 3.500 . 3.500 2.307 2.265 2.350 . 0 0 "[ . 1 . 2]" 1
1795 1 95 GLN H 1 95 GLN QG 3.500 . 3.500 2.539 2.445 2.632 . 0 0 "[ . 1 . 2]" 1
1796 1 95 GLN H 1 96 ILE QG 4.500 . 4.500 3.849 3.796 3.904 . 0 0 "[ . 1 . 2]" 1
1797 1 95 GLN HA 1 95 GLN QG 3.500 . 3.500 2.539 2.312 2.655 . 0 0 "[ . 1 . 2]" 1
1798 1 95 GLN QB 1 96 ILE H 3.500 . 3.500 2.511 2.474 2.549 . 0 0 "[ . 1 . 2]" 1
1799 1 96 ILE H 1 96 ILE QG 3.500 . 3.500 1.966 1.868 2.036 . 0 0 "[ . 1 . 2]" 1
1800 1 96 ILE HA 1 96 ILE QG 3.500 . 3.500 3.343 3.328 3.384 . 0 0 "[ . 1 . 2]" 1
1801 1 96 ILE QG 1 97 THR H 4.500 . 4.500 2.191 2.001 2.613 . 0 0 "[ . 1 . 2]" 1
1802 1 96 ILE QG 1 97 THR HB 5.500 . 5.500 5.086 4.891 5.480 . 0 0 "[ . 1 . 2]" 1
1803 1 96 ILE QG 1 97 THR MG 4.500 . 4.500 2.697 2.537 3.128 . 0 0 "[ . 1 . 2]" 1
1804 1 96 ILE QG 1 98 GLY H 5.500 . 5.500 4.409 4.241 4.784 . 0 0 "[ . 1 . 2]" 1
1805 1 97 THR H 1 98 GLY QA 5.500 . 5.500 4.293 4.283 4.304 . 0 0 "[ . 1 . 2]" 1
1806 1 98 GLY QA 1 99 TYR H 3.500 . 3.500 2.761 2.735 2.802 . 0 0 "[ . 1 . 2]" 1
1807 1 100 LYS H 1 100 LYS QB 3.500 . 3.500 2.517 2.372 3.051 . 0 0 "[ . 1 . 2]" 1
1808 1 100 LYS H 1 100 LYS QG 4.500 . 4.500 2.999 1.940 4.032 . 0 0 "[ . 1 . 2]" 1
1809 1 100 LYS H 1 100 LYS QE 5.500 . 5.500 4.954 4.015 5.513 0.013 4 0 "[ . 1 . 2]" 1
1810 1 100 LYS HA 1 100 LYS QG 3.500 . 3.500 2.547 2.308 3.374 . 0 0 "[ . 1 . 2]" 1
1811 1 100 LYS QB 1 100 LYS QD 3.500 . 3.500 2.147 2.124 2.195 . 0 0 "[ . 1 . 2]" 1
1812 1 100 LYS QB 1 100 LYS QE 4.500 . 4.500 3.532 2.498 3.655 . 0 0 "[ . 1 . 2]" 1
1813 1 101 THR MG 1 104 ILE QG 4.500 . 4.500 3.923 3.267 4.069 . 0 0 "[ . 1 . 2]" 1
1814 1 102 GLN HA 1 102 GLN QG 3.500 . 3.500 2.278 2.231 2.334 . 0 0 "[ . 1 . 2]" 1
1815 1 102 GLN QB 1 103 SER H 3.500 . 3.500 2.936 2.552 3.180 . 0 0 "[ . 1 . 2]" 1
1816 1 102 GLN QG 1 103 SER HA 5.500 . 5.500 4.741 4.639 4.825 . 0 0 "[ . 1 . 2]" 1
1817 1 103 SER H 1 103 SER QB 3.500 . 3.500 3.031 2.803 3.288 . 0 0 "[ . 1 . 2]" 1
1818 1 103 SER QB 1 104 ILE H 4.500 . 4.500 3.080 2.936 3.622 . 0 0 "[ . 1 . 2]" 1
1819 1 103 SER QB 1 132 THR HB 5.500 . 5.500 4.471 3.073 5.522 0.022 4 0 "[ . 1 . 2]" 1
1820 1 103 SER QB 1 132 THR MG 5.500 . 5.500 2.634 1.940 3.985 . 0 0 "[ . 1 . 2]" 1
1821 1 103 SER QB 1 133 PHE QD 5.500 . 5.500 3.841 2.805 5.541 0.041 3 0 "[ . 1 . 2]" 1
1822 1 104 ILE MG 1 106 CYS QB 5.500 . 5.500 4.997 3.549 5.565 0.065 16 0 "[ . 1 . 2]" 1
1823 1 104 ILE QG 1 106 CYS QB 5.500 . 5.500 4.019 3.163 5.277 . 0 0 "[ . 1 . 2]" 1
1824 1 104 ILE QG 1 123 ILE HA 5.500 . 5.500 4.202 2.241 4.733 . 0 0 "[ . 1 . 2]" 1
1825 1 104 ILE QG 1 123 ILE MG 3.500 . 3.500 2.898 1.909 3.183 . 0 0 "[ . 1 . 2]" 1
1826 1 104 ILE MD 1 106 CYS QB 5.500 . 5.500 4.153 2.816 4.865 . 0 0 "[ . 1 . 2]" 1
1827 1 104 ILE MD 1 121 GLN QB 3.500 . 3.500 2.479 1.984 3.436 . 0 0 "[ . 1 . 2]" 1
1828 1 104 ILE MD 1 121 GLN QG 5.500 . 5.500 2.363 1.833 3.578 . 0 0 "[ . 1 . 2]" 1
1829 1 105 LEU QB 1 122 ALA MB 3.500 . 3.500 3.392 3.024 3.555 0.055 3 0 "[ . 1 . 2]" 1
1830 1 105 LEU QB 1 141 PHE QD 5.500 . 5.500 4.204 3.904 4.387 . 0 0 "[ . 1 . 2]" 1
1831 1 105 LEU QD 1 106 CYS H 4.500 . 4.500 2.823 1.914 3.360 . 0 0 "[ . 1 . 2]" 1
1832 1 105 LEU QD 1 106 CYS QB 5.500 . 5.500 4.505 3.571 5.124 . 0 0 "[ . 1 . 2]" 1
1833 1 105 LEU QD 1 133 PHE QB 4.500 . 4.500 2.541 2.034 3.035 . 0 0 "[ . 1 . 2]" 1
1834 1 105 LEU QD 1 133 PHE QD 4.500 . 4.500 2.854 2.367 4.058 . 0 0 "[ . 1 . 2]" 1
1835 1 105 LEU QD 1 138 GLU HA 4.500 . 4.500 2.960 2.589 3.682 . 0 0 "[ . 1 . 2]" 1
1836 1 105 LEU QD 1 138 GLU QB 4.500 . 4.500 3.609 3.075 3.888 . 0 0 "[ . 1 . 2]" 1
1837 1 105 LEU QD 1 138 GLU QG 3.500 . 3.500 2.216 1.986 2.547 . 0 0 "[ . 1 . 2]" 1
1838 1 105 LEU QD 1 141 PHE QB 5.500 . 5.500 2.988 2.554 3.921 . 0 0 "[ . 1 . 2]" 1
1839 1 105 LEU QD 1 141 PHE QD 5.500 . 5.500 3.034 2.522 4.303 . 0 0 "[ . 1 . 2]" 1
1840 1 105 LEU QD 1 141 PHE QE 5.500 . 5.500 3.246 2.705 4.508 . 0 0 "[ . 1 . 2]" 1
1841 1 106 CYS H 1 106 CYS QB 3.500 . 3.500 2.570 2.238 2.931 . 0 0 "[ . 1 . 2]" 1
1842 1 106 CYS HA 1 119 VAL QG 5.500 . 5.500 4.481 4.275 4.638 . 0 0 "[ . 1 . 2]" 1
1843 1 106 CYS HA 1 121 GLN QG 5.500 . 5.500 2.966 2.119 4.102 . 0 0 "[ . 1 . 2]" 1
1844 1 106 CYS QB 1 119 VAL QG 5.500 . 5.500 4.102 3.706 4.560 . 0 0 "[ . 1 . 2]" 1
1845 1 107 MET H 1 107 MET QB 3.500 . 3.500 2.843 2.568 3.284 . 0 0 "[ . 1 . 2]" 1
1846 1 107 MET H 1 107 MET QG 4.500 . 4.500 2.721 2.040 3.085 . 0 0 "[ . 1 . 2]" 1
1847 1 107 MET HA 1 119 VAL QG 5.500 . 5.500 4.577 4.348 4.742 . 0 0 "[ . 1 . 2]" 1
1848 1 107 MET QB 1 108 PRO QD 5.500 . 5.500 3.062 2.885 3.270 . 0 0 "[ . 1 . 2]" 1
1849 1 107 MET QB 1 142 ALA HA 5.500 . 5.500 4.188 3.851 4.487 . 0 0 "[ . 1 . 2]" 1
1850 1 107 MET QB 1 145 LEU QD 4.500 . 4.500 2.425 2.065 2.837 . 0 0 "[ . 1 . 2]" 1
1851 1 107 MET QG 1 141 PHE QD 4.500 . 4.500 2.559 2.300 2.961 . 0 0 "[ . 1 . 2]" 1
1852 1 107 MET QG 1 141 PHE QE 5.500 . 5.500 4.061 3.865 4.526 . 0 0 "[ . 1 . 2]" 1
1853 1 107 MET QG 1 142 ALA HA 5.500 . 5.500 4.952 4.289 5.337 . 0 0 "[ . 1 . 2]" 1
1854 1 107 MET QG 1 145 LEU QD 5.500 . 5.500 3.156 2.208 3.712 . 0 0 "[ . 1 . 2]" 1
1855 1 108 PRO HA 1 116 VAL QG 5.500 . 5.500 4.520 4.062 5.365 . 0 0 "[ . 1 . 2]" 1
1856 1 108 PRO HA 1 119 VAL QG 3.500 . 3.500 2.093 1.981 2.253 . 0 0 "[ . 1 . 2]" 1
1857 1 108 PRO QB 1 116 VAL QG 4.500 . 4.500 3.049 2.507 3.985 . 0 0 "[ . 1 . 2]" 1
1858 1 109 ILE HB 1 118 GLY QA 4.500 . 4.500 3.169 3.018 3.311 . 0 0 "[ . 1 . 2]" 1
1859 1 109 ILE MG 1 118 GLY QA 5.500 . 5.500 4.295 4.133 4.445 . 0 0 "[ . 1 . 2]" 1
1860 1 109 ILE MG 1 145 LEU QD 4.500 . 4.500 3.056 2.825 3.434 . 0 0 "[ . 1 . 2]" 1
1861 1 109 ILE MG 1 148 CYS QB 4.500 . 4.500 4.522 4.501 4.554 0.054 13 0 "[ . 1 . 2]" 1
1862 1 109 ILE MG 1 149 GLY QA 3.500 . 3.500 2.188 1.983 2.377 . 0 0 "[ . 1 . 2]" 1
1863 1 109 ILE QG 1 119 VAL QG 5.500 . 5.500 3.651 3.511 3.862 . 0 0 "[ . 1 . 2]" 1
1864 1 109 ILE QG 1 120 ALA H 4.500 . 4.500 2.604 2.370 2.902 . 0 0 "[ . 1 . 2]" 1
1865 1 109 ILE QG 1 145 LEU HB2 4.500 . 4.500 4.295 3.816 4.505 0.005 4 0 "[ . 1 . 2]" 1
1866 1 109 ILE QG 1 145 LEU QD 4.500 . 4.500 2.468 2.114 3.017 . 0 0 "[ . 1 . 2]" 1
1867 1 109 ILE MD 1 118 GLY QA 5.500 . 5.500 2.961 2.685 3.204 . 0 0 "[ . 1 . 2]" 1
1868 1 109 ILE MD 1 145 LEU QD 4.500 . 4.500 3.172 2.823 3.894 . 0 0 "[ . 1 . 2]" 1
1869 1 110 LYS HA 1 110 LYS QE 5.500 . 5.500 4.740 4.622 4.842 . 0 0 "[ . 1 . 2]" 1
1870 1 110 LYS HA 1 116 VAL QG 4.500 . 4.500 3.395 2.562 3.953 . 0 0 "[ . 1 . 2]" 1
1871 1 110 LYS HB3 1 116 VAL QG 4.500 . 4.500 2.730 2.374 4.505 0.005 20 0 "[ . 1 . 2]" 1
1872 1 110 LYS HB2 1 110 LYS QE 3.500 . 3.500 3.492 3.249 3.518 0.018 6 0 "[ . 1 . 2]" 1
1873 1 110 LYS QE 1 110 LYS HG3 3.500 . 3.500 3.248 2.191 3.477 . 0 0 "[ . 1 . 2]" 1
1874 1 110 LYS HD3 1 114 GLU QG 4.500 . 4.500 3.528 2.851 4.231 . 0 0 "[ . 1 . 2]" 1
1875 1 110 LYS HD2 1 114 GLU QG 3.500 . 3.500 3.203 2.679 3.510 0.010 8 0 "[ . 1 . 2]" 1
1876 1 110 LYS QE 1 114 GLU QG 4.500 . 4.500 3.954 3.348 4.520 0.020 18 0 "[ . 1 . 2]" 1
1877 1 110 LYS QE 1 116 VAL QG 4.500 . 4.500 3.152 2.558 3.854 . 0 0 "[ . 1 . 2]" 1
1878 1 111 ASN H 1 115 GLU QB 5.500 . 5.500 3.897 3.503 4.893 . 0 0 "[ . 1 . 2]" 1
1879 1 111 ASN QB 1 117 VAL MG1 4.500 . 4.500 3.164 1.940 3.613 . 0 0 "[ . 1 . 2]" 1
1880 1 111 ASN QB 1 117 VAL MG2 5.500 . 5.500 3.712 2.988 4.231 . 0 0 "[ . 1 . 2]" 1
1881 1 112 HIS QB 1 112 HIS HD1 3.500 . 3.500 2.519 2.489 2.594 . 0 0 "[ . 1 . 2]" 1
1882 1 112 HIS QB 1 114 GLU H 5.500 . 5.500 4.874 4.717 5.066 . 0 0 "[ . 1 . 2]" 1
1883 1 113 ARG HA 1 113 ARG QD 4.500 . 4.500 3.975 2.338 4.147 . 0 0 "[ . 1 . 2]" 1
1884 1 113 ARG QB 1 113 ARG QD 3.500 . 3.500 2.204 2.119 2.295 . 0 0 "[ . 1 . 2]" 1
1885 1 113 ARG QB 1 115 GLU H 3.500 . 3.500 3.035 2.728 3.331 . 0 0 "[ . 1 . 2]" 1
1886 1 113 ARG QB 1 115 GLU QG 4.500 . 4.500 2.458 2.243 2.718 . 0 0 "[ . 1 . 2]" 1
1887 1 113 ARG QG 1 114 GLU H 5.500 . 5.500 4.502 4.408 4.545 . 0 0 "[ . 1 . 2]" 1
1888 1 113 ARG QG 1 115 GLU H 4.500 . 4.500 4.481 3.949 4.538 0.038 17 0 "[ . 1 . 2]" 1
1889 1 113 ARG QD 1 115 GLU H 5.500 . 5.500 5.052 4.684 5.514 0.014 20 0 "[ . 1 . 2]" 1
1890 1 113 ARG QD 1 115 GLU QG 4.500 . 4.500 2.982 2.253 4.053 . 0 0 "[ . 1 . 2]" 1
1891 1 115 GLU H 1 115 GLU QB 3.500 . 3.500 2.340 2.274 2.388 . 0 0 "[ . 1 . 2]" 1
1892 1 115 GLU H 1 115 GLU QG 4.500 . 4.500 2.759 2.540 2.843 . 0 0 "[ . 1 . 2]" 1
1893 1 115 GLU HA 1 115 GLU QG 3.500 . 3.500 2.525 2.333 2.687 . 0 0 "[ . 1 . 2]" 1
1894 1 115 GLU QB 1 116 VAL H 4.500 . 4.500 3.180 2.865 3.346 . 0 0 "[ . 1 . 2]" 1
1895 1 116 VAL H 1 116 VAL QG 3.500 . 3.500 2.342 1.955 3.247 . 0 0 "[ . 1 . 2]" 1
1896 1 116 VAL QG 1 117 VAL H 4.500 . 4.500 2.061 1.964 2.191 . 0 0 "[ . 1 . 2]" 1
1897 1 116 VAL QG 1 117 VAL HA 5.500 . 5.500 3.606 3.312 3.781 . 0 0 "[ . 1 . 2]" 1
1898 1 116 VAL QG 1 117 VAL MG2 3.500 . 3.500 3.543 3.476 3.581 0.081 20 0 "[ . 1 . 2]" 1
1899 1 116 VAL QG 1 118 GLY H 3.500 . 3.500 2.679 2.459 3.052 . 0 0 "[ . 1 . 2]" 1
1900 1 116 VAL QG 1 118 GLY QA 5.500 . 5.500 3.578 3.497 3.675 . 0 0 "[ . 1 . 2]" 1
1901 1 117 VAL MG2 1 118 GLY QA 4.500 . 4.500 3.285 3.190 3.419 . 0 0 "[ . 1 . 2]" 1
1902 1 119 VAL QG 1 120 ALA H 3.500 . 3.500 2.175 1.906 2.441 . 0 0 "[ . 1 . 2]" 1
1903 1 119 VAL QG 1 120 ALA HA 4.500 . 4.500 4.109 3.942 4.296 . 0 0 "[ . 1 . 2]" 1
1904 1 119 VAL QG 1 120 ALA MB 4.500 . 4.500 3.856 3.684 4.051 . 0 0 "[ . 1 . 2]" 1
1905 1 119 VAL QG 1 121 GLN H 5.500 . 5.500 4.912 4.593 5.371 . 0 0 "[ . 1 . 2]" 1
1906 1 119 VAL QG 1 121 GLN HA 5.500 . 5.500 4.981 4.681 5.409 . 0 0 "[ . 1 . 2]" 1
1907 1 119 VAL QG 1 121 GLN QG 5.500 . 5.500 3.865 2.792 4.609 . 0 0 "[ . 1 . 2]" 1
1908 1 119 VAL QG 1 145 LEU QD 5.500 . 5.500 4.903 4.709 5.207 . 0 0 "[ . 1 . 2]" 1
1909 1 120 ALA H 1 145 LEU QD 5.500 . 5.500 4.142 3.878 4.424 . 0 0 "[ . 1 . 2]" 1
1910 1 120 ALA MB 1 145 LEU QD 3.500 . 3.500 2.158 1.971 2.373 . 0 0 "[ . 1 . 2]" 1
1911 1 121 GLN QB 1 122 ALA H 4.500 . 4.500 3.005 2.780 3.566 . 0 0 "[ . 1 . 2]" 1
1912 1 121 GLN QB 1 123 ILE MG 4.500 . 4.500 4.021 3.703 4.557 0.057 7 0 "[ . 1 . 2]" 1
1913 1 121 GLN QG 1 122 ALA H 4.500 . 4.500 3.443 2.467 4.502 0.002 15 0 "[ . 1 . 2]" 1
1914 1 124 ASN QB 1 126 LYS QG 5.500 . 5.500 4.056 3.058 5.499 . 0 0 "[ . 1 . 2]" 1
1915 1 126 LYS H 1 126 LYS QB 3.500 . 3.500 2.487 2.335 2.786 . 0 0 "[ . 1 . 2]" 1
1916 1 126 LYS H 1 126 LYS QG 4.500 . 4.500 3.506 2.711 4.255 . 0 0 "[ . 1 . 2]" 1
1917 1 126 LYS HA 1 126 LYS QG 3.500 . 3.500 2.389 2.194 2.717 . 0 0 "[ . 1 . 2]" 1
1918 1 126 LYS HA 1 126 LYS QD 4.500 . 4.500 3.071 2.365 4.003 . 0 0 "[ . 1 . 2]" 1
1919 1 126 LYS HA 1 126 LYS QE 4.500 . 4.500 3.567 2.175 4.550 0.050 5 0 "[ . 1 . 2]" 1
1920 1 126 LYS HA 1 127 SER QB 5.500 . 5.500 4.344 3.963 5.173 . 0 0 "[ . 1 . 2]" 1
1921 1 126 LYS QB 1 127 SER QB 5.500 . 5.500 4.462 3.206 4.949 . 0 0 "[ . 1 . 2]" 1
1922 1 126 LYS QE 1 126 LYS QG 3.500 . 3.500 2.175 2.104 2.294 . 0 0 "[ . 1 . 2]" 1
1923 1 131 GLY QA 1 132 THR H 3.500 . 3.500 2.173 2.106 2.281 . 0 0 "[ . 1 . 2]" 1
1924 1 134 THR HA 1 135 GLU QB 5.500 . 5.500 4.165 4.110 4.291 . 0 0 "[ . 1 . 2]" 1
1925 1 135 GLU H 1 135 GLU QB 3.500 . 3.500 2.180 2.163 2.199 . 0 0 "[ . 1 . 2]" 1
1926 1 135 GLU HA 1 135 GLU QG 3.500 . 3.500 2.364 2.279 2.558 . 0 0 "[ . 1 . 2]" 1
1927 1 135 GLU HA 1 138 GLU QB 3.500 . 3.500 2.898 2.625 3.160 . 0 0 "[ . 1 . 2]" 1
1928 1 135 GLU HA 1 138 GLU QG 4.500 . 4.500 3.486 3.008 4.165 . 0 0 "[ . 1 . 2]" 1
1929 1 135 GLU QB 1 136 LYS H 4.500 . 4.500 2.957 2.656 3.008 . 0 0 "[ . 1 . 2]" 1
1930 1 135 GLU QG 1 136 LYS H 5.500 . 5.500 4.366 4.166 4.404 . 0 0 "[ . 1 . 2]" 1
1931 1 135 GLU QG 1 139 LYS QG 5.500 . 5.500 4.625 3.505 5.514 0.014 19 0 "[ . 1 . 2]" 1
1932 1 135 GLU QG 1 139 LYS QD 4.500 . 4.500 3.468 3.107 4.046 . 0 0 "[ . 1 . 2]" 1
1933 1 135 GLU QG 1 139 LYS QE 4.500 . 4.500 4.303 3.579 4.507 0.007 10 0 "[ . 1 . 2]" 1
1934 1 136 LYS H 1 136 LYS QD 4.500 . 4.500 3.383 1.976 4.505 0.005 14 0 "[ . 1 . 2]" 1
1935 1 136 LYS HA 1 136 LYS QG 3.500 . 3.500 2.351 2.154 2.628 . 0 0 "[ . 1 . 2]" 1
1936 1 136 LYS HA 1 136 LYS QD 3.500 . 3.500 2.896 2.372 3.546 0.046 11 0 "[ . 1 . 2]" 1
1937 1 136 LYS QB 1 137 ASP H 3.500 . 3.500 2.808 2.650 2.951 . 0 0 "[ . 1 . 2]" 1
1938 1 136 LYS QB 1 137 ASP HA 5.500 . 5.500 3.963 3.920 4.010 . 0 0 "[ . 1 . 2]" 1
1939 1 136 LYS QE 1 136 LYS QG 3.500 . 3.500 2.239 2.138 2.466 . 0 0 "[ . 1 . 2]" 1
1940 1 136 LYS QG 1 137 ASP H 4.500 . 4.500 4.435 4.256 4.553 0.053 4 0 "[ . 1 . 2]" 1
1941 1 137 ASP HA 1 140 ASP QB 4.500 . 4.500 3.092 2.960 3.299 . 0 0 "[ . 1 . 2]" 1
1942 1 137 ASP QB 1 138 GLU H 4.500 . 4.500 2.999 2.973 3.007 . 0 0 "[ . 1 . 2]" 1
1943 1 137 ASP QB 1 139 LYS H 5.500 . 5.500 4.799 4.773 4.844 . 0 0 "[ . 1 . 2]" 1
1944 1 138 GLU H 1 138 GLU QB 3.500 . 3.500 2.296 2.178 2.368 . 0 0 "[ . 1 . 2]" 1
1945 1 138 GLU HA 1 138 GLU QG 3.500 . 3.500 2.343 2.255 2.383 . 0 0 "[ . 1 . 2]" 1
1946 1 138 GLU HA 1 141 PHE QB 5.500 . 5.500 2.847 2.511 3.138 . 0 0 "[ . 1 . 2]" 1
1947 1 138 GLU QB 1 139 LYS H 4.500 . 4.500 2.915 2.863 2.970 . 0 0 "[ . 1 . 2]" 1
1948 1 139 LYS H 1 139 LYS QD 3.500 . 3.500 3.116 2.597 3.556 0.056 11 0 "[ . 1 . 2]" 1
1949 1 139 LYS HA 1 139 LYS QD 3.500 . 3.500 2.572 2.256 3.185 . 0 0 "[ . 1 . 2]" 1
1950 1 139 LYS HA 1 139 LYS QE 4.500 . 4.500 3.649 2.193 4.390 . 0 0 "[ . 1 . 2]" 1
1951 1 139 LYS QB 1 139 LYS QD 3.500 . 3.500 2.322 2.107 2.439 . 0 0 "[ . 1 . 2]" 1
1952 1 139 LYS QB 1 139 LYS QE 4.500 . 4.500 3.103 2.445 3.796 . 0 0 "[ . 1 . 2]" 1
1953 1 139 LYS QE 1 143 GLU QG 5.500 . 5.500 5.449 5.237 5.540 0.040 19 0 "[ . 1 . 2]" 1
1954 1 140 ASP H 1 140 ASP QB 3.500 . 3.500 2.311 2.223 2.346 . 0 0 "[ . 1 . 2]" 1
1955 1 141 PHE H 1 141 PHE QB 3.500 . 3.500 2.103 2.058 2.156 . 0 0 "[ . 1 . 2]" 1
1956 1 141 PHE QB 1 142 ALA H 3.500 . 3.500 2.699 2.598 2.792 . 0 0 "[ . 1 . 2]" 1
1957 1 141 PHE QB 1 145 LEU QD 5.500 . 5.500 3.188 2.995 3.345 . 0 0 "[ . 1 . 2]" 1
1958 1 141 PHE QD 1 145 LEU QD 4.500 . 4.500 3.091 2.770 3.481 . 0 0 "[ . 1 . 2]" 1
1959 1 141 PHE QE 1 145 LEU QD 5.500 . 5.500 4.454 4.079 4.897 . 0 0 "[ . 1 . 2]" 1
1960 1 142 ALA HA 1 145 LEU QD 4.500 . 4.500 2.252 2.101 2.290 . 0 0 "[ . 1 . 2]" 1
1961 1 142 ALA MB 1 145 LEU QD 3.500 . 3.500 3.439 3.025 3.529 0.029 8 0 "[ . 1 . 2]" 1
1962 1 143 GLU H 1 143 GLU QG 3.500 . 3.500 2.549 2.416 2.674 . 0 0 "[ . 1 . 2]" 1
1963 1 143 GLU QG 1 146 ALA MB 5.500 . 5.500 4.196 3.964 4.322 . 0 0 "[ . 1 . 2]" 1
1964 1 144 TYR H 1 144 TYR QB 3.500 . 3.500 2.175 2.136 2.218 . 0 0 "[ . 1 . 2]" 1
1965 1 145 LEU HA 1 145 LEU QD 3.500 . 3.500 2.477 2.374 2.740 . 0 0 "[ . 1 . 2]" 1
1966 1 145 LEU QD 1 148 CYS QB 4.500 . 4.500 3.920 3.605 4.525 0.025 3 0 "[ . 1 . 2]" 1
1967 1 147 PHE H 1 148 CYS QB 5.500 . 5.500 4.409 4.205 4.905 . 0 0 "[ . 1 . 2]" 1
1968 1 149 GLY QA 1 150 GLU H 3.500 . 3.500 2.794 2.673 2.879 . 0 0 "[ . 1 . 2]" 1
1969 1 150 GLU H 1 150 GLU QG 4.500 . 4.500 3.455 1.961 4.103 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 99
_Distance_constraint_stats_list.Viol_total 34.675
_Distance_constraint_stats_list.Viol_max 0.109
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0175
_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 5 ALA 0.029 0.025 5 0 "[ . 1 . 2]"
1 6 LEU 0.109 0.109 5 0 "[ . 1 . 2]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.330 0.032 18 0 "[ . 1 . 2]"
1 10 ILE 0.109 0.109 5 0 "[ . 1 . 2]"
1 11 PHE 0.005 0.005 10 0 "[ . 1 . 2]"
1 12 LEU 0.630 0.053 12 0 "[ . 1 . 2]"
1 13 HIS 0.300 0.032 18 0 "[ . 1 . 2]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 HIS 0.005 0.005 10 0 "[ . 1 . 2]"
1 16 GLY 0.630 0.053 12 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PHE 0.020 0.019 13 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 0.012 0.007 20 0 "[ . 1 . 2]"
1 67 ILE 0.213 0.036 20 0 "[ . 1 . 2]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 HIS 0.012 0.007 20 0 "[ . 1 . 2]"
1 71 VAL 0.213 0.036 20 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.016 0.011 17 0 "[ . 1 . 2]"
1 92 GLU 0.030 0.011 20 0 "[ . 1 . 2]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLN 0.016 0.011 17 0 "[ . 1 . 2]"
1 96 ILE 0.030 0.011 20 0 "[ . 1 . 2]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.007 0.007 6 0 "[ . 1 . 2]"
1 106 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 VAL 0.020 0.019 13 0 "[ . 1 . 2]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ALA 0.007 0.007 6 0 "[ . 1 . 2]"
1 123 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLU 0.077 0.021 20 0 "[ . 1 . 2]"
1 136 LYS 0.051 0.030 14 0 "[ . 1 . 2]"
1 137 ASP 0.023 0.011 15 0 "[ . 1 . 2]"
1 138 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 LYS 0.077 0.021 20 0 "[ . 1 . 2]"
1 140 ASP 0.077 0.030 14 0 "[ . 1 . 2]"
1 141 PHE 0.023 0.011 15 0 "[ . 1 . 2]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 GLU 0.185 0.049 3 0 "[ . 1 . 2]"
1 144 TYR 0.026 0.009 4 0 "[ . 1 . 2]"
1 145 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 PHE 0.185 0.049 3 0 "[ . 1 . 2]"
1 148 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 80 ILE O 1 104 ILE H 2.400 . 3.100 2.309 1.859 2.570 . 0 0 "[ . 1 . 2]" 2
2 1 80 ILE H 1 104 ILE O 2.400 . 3.100 2.197 1.838 2.487 . 0 0 "[ . 1 . 2]" 2
3 1 78 LEU O 1 106 CYS H 2.400 . 3.100 2.405 2.069 2.917 . 0 0 "[ . 1 . 2]" 2
4 1 78 LEU H 1 106 CYS O 2.400 . 3.100 2.338 1.754 2.863 . 0 0 "[ . 1 . 2]" 2
5 1 105 LEU O 1 122 ALA H 2.400 . 3.100 2.894 2.713 3.107 0.007 6 0 "[ . 1 . 2]" 2
6 1 105 LEU H 1 122 ALA O 2.400 . 3.100 2.720 2.559 2.843 . 0 0 "[ . 1 . 2]" 2
7 1 107 MET O 1 120 ALA H 2.400 . 3.100 1.938 1.758 2.171 . 0 0 "[ . 1 . 2]" 2
8 1 107 MET H 1 120 ALA O 2.400 . 3.100 2.302 2.022 2.574 . 0 0 "[ . 1 . 2]" 2
9 1 109 ILE H 1 118 GLY O 2.400 . 3.100 1.899 1.830 1.966 . 0 0 "[ . 1 . 2]" 2
10 1 109 ILE O 1 118 GLY H 2.400 . 3.100 2.064 1.955 2.350 . 0 0 "[ . 1 . 2]" 2
11 1 22 ARG H 1 123 ILE O 2.400 . 3.100 2.429 2.212 2.704 . 0 0 "[ . 1 . 2]" 2
12 1 22 ARG O 1 123 ILE H 2.400 . 3.100 2.436 2.047 2.850 . 0 0 "[ . 1 . 2]" 2
13 1 24 SER O 1 121 GLN H 2.400 . 3.100 2.359 1.898 2.659 . 0 0 "[ . 1 . 2]" 2
14 1 24 SER H 1 121 GLN O 2.400 . 3.100 2.086 1.792 2.374 . 0 0 "[ . 1 . 2]" 2
15 1 26 PHE O 1 119 VAL H 2.400 . 3.100 1.808 1.681 1.954 0.019 13 0 "[ . 1 . 2]" 2
16 1 26 PHE H 1 119 VAL O 2.400 . 3.100 2.101 1.743 2.536 . 0 0 "[ . 1 . 2]" 2
17 1 27 LEU O 1 39 ILE H 2.400 . 3.100 2.728 2.425 3.032 . 0 0 "[ . 1 . 2]" 2
18 1 27 LEU H 1 39 ILE O 2.400 . 3.100 2.550 2.217 2.863 . 0 0 "[ . 1 . 2]" 2
19 1 29 CYS H 1 37 PHE O 2.400 . 3.100 2.346 2.141 2.533 . 0 0 "[ . 1 . 2]" 2
20 1 29 CYS O 1 37 PHE H 2.400 . 3.100 1.774 1.731 1.812 . 0 0 "[ . 1 . 2]" 2
21 1 38 LEU O 1 61 LEU H 2.400 . 3.100 2.194 1.930 2.532 . 0 0 "[ . 1 . 2]" 2
22 1 38 LEU H 1 61 LEU O 2.400 . 3.100 1.797 1.713 1.881 . 0 0 "[ . 1 . 2]" 2
23 1 5 ALA O 1 9 LYS H 2.400 . 3.100 2.824 2.604 3.125 0.025 5 0 "[ . 1 . 2]" 2
24 1 6 LEU O 1 10 ILE H 2.400 . 3.100 2.835 2.612 3.209 0.109 5 0 "[ . 1 . 2]" 2
25 1 7 CYS O 1 11 PHE H 2.400 . 3.100 2.639 2.199 3.010 . 0 0 "[ . 1 . 2]" 2
26 1 8 HIS O 1 12 LEU H 2.400 . 3.100 2.557 2.071 2.764 . 0 0 "[ . 1 . 2]" 2
27 1 9 LYS O 1 13 HIS H 2.400 . 3.100 3.105 2.897 3.132 0.032 18 0 "[ . 1 . 2]" 2
28 1 10 ILE O 1 14 ILE H 2.400 . 3.100 2.711 2.430 2.924 . 0 0 "[ . 1 . 2]" 2
29 1 11 PHE O 1 15 HIS H 2.400 . 3.100 2.902 2.799 3.105 0.005 10 0 "[ . 1 . 2]" 2
30 1 12 LEU O 1 16 GLY H 2.400 . 3.100 3.131 3.108 3.153 0.053 12 0 "[ . 1 . 2]" 2
31 1 13 HIS O 1 17 LEU H 2.400 . 3.100 2.775 2.633 2.965 . 0 0 "[ . 1 . 2]" 2
32 1 66 GLY O 1 70 HIS H 2.400 . 3.100 3.031 2.872 3.107 0.007 20 0 "[ . 1 . 2]" 2
33 1 67 ILE O 1 71 VAL H 2.400 . 3.100 3.089 2.891 3.136 0.036 20 0 "[ . 1 . 2]" 2
34 1 68 VAL O 1 72 ALA H 2.400 . 3.100 1.874 1.725 2.046 . 0 0 "[ . 1 . 2]" 2
35 1 69 GLY O 1 73 ALA H 2.400 . 3.100 2.346 2.161 2.492 . 0 0 "[ . 1 . 2]" 2
36 1 70 HIS O 1 74 PHE H 2.400 . 3.100 2.560 2.340 2.983 . 0 0 "[ . 1 . 2]" 2
37 1 91 ALA O 1 95 GLN H 2.400 . 3.100 3.049 2.959 3.111 0.011 17 0 "[ . 1 . 2]" 2
38 1 92 GLU O 1 96 ILE H 2.400 . 3.100 2.953 2.849 3.111 0.011 20 0 "[ . 1 . 2]" 2
39 1 93 VAL O 1 97 THR H 2.400 . 3.100 1.818 1.765 1.907 . 0 0 "[ . 1 . 2]" 2
40 1 135 GLU O 1 139 LYS H 2.400 . 3.100 3.058 2.788 3.121 0.021 20 0 "[ . 1 . 2]" 2
41 1 136 LYS O 1 140 ASP H 2.400 . 3.100 3.010 2.778 3.130 0.030 14 0 "[ . 1 . 2]" 2
42 1 137 ASP O 1 141 PHE H 2.400 . 3.100 3.002 2.686 3.111 0.011 15 0 "[ . 1 . 2]" 2
43 1 138 GLU O 1 142 ALA H 2.400 . 3.100 2.825 2.415 3.076 . 0 0 "[ . 1 . 2]" 2
44 1 139 LYS O 1 143 GLU H 2.400 . 3.100 2.596 2.090 2.878 . 0 0 "[ . 1 . 2]" 2
45 1 140 ASP O 1 144 TYR H 2.400 . 3.100 3.013 2.819 3.109 0.009 4 0 "[ . 1 . 2]" 2
46 1 141 PHE O 1 145 LEU H 2.400 . 3.100 2.714 2.597 2.973 . 0 0 "[ . 1 . 2]" 2
47 1 142 ALA O 1 146 ALA H 2.400 . 3.100 2.210 2.000 2.465 . 0 0 "[ . 1 . 2]" 2
48 1 143 GLU O 1 147 PHE H 2.400 . 3.100 3.035 2.808 3.149 0.049 3 0 "[ . 1 . 2]" 2
49 1 144 TYR O 1 148 CYS H 2.400 . 3.100 2.519 2.318 2.862 . 0 0 "[ . 1 . 2]" 2
50 1 145 LEU O 1 149 GLY H 2.400 . 3.100 1.810 1.704 1.909 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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