NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403134 |
1wij   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wij
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 1183
_Distance_constraint_stats_list.Viol_count 708
_Distance_constraint_stats_list.Viol_total 408.461
_Distance_constraint_stats_list.Viol_max 1.250
_Distance_constraint_stats_list.Viol_rms 0.0223
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0288
_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 8 SER 0.003 0.002 18 0 "[ . 1 . 2]"
1 9 GLN 0.003 0.002 18 0 "[ . 1 . 2]"
1 10 PHE 0.010 0.003 10 0 "[ . 1 . 2]"
1 11 VAL 0.018 0.005 13 0 "[ . 1 . 2]"
1 12 LEU 0.022 0.005 13 0 "[ . 1 . 2]"
1 13 GLN 0.005 0.005 20 0 "[ . 1 . 2]"
1 14 ASP 0.003 0.001 15 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 0.007 0.004 16 0 "[ . 1 . 2]"
1 17 ASP 0.014 0.008 9 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.011 0.004 16 0 "[ . 1 . 2]"
1 20 LEU 0.015 0.008 9 0 "[ . 1 . 2]"
1 21 GLY 0.001 0.001 20 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.093 0.020 3 0 "[ . 1 . 2]"
1 24 LEU 0.002 0.002 12 0 "[ . 1 . 2]"
1 25 SER 0.002 0.002 12 0 "[ . 1 . 2]"
1 26 SER 0.002 0.002 20 0 "[ . 1 . 2]"
1 27 LEU 0.213 0.038 1 0 "[ . 1 . 2]"
1 28 MET 0.148 0.029 15 0 "[ . 1 . 2]"
1 29 GLN 0.064 0.025 5 0 "[ . 1 . 2]"
1 30 HIS 0.193 0.047 5 0 "[ . 1 . 2]"
1 31 CYS 0.071 0.021 1 0 "[ . 1 . 2]"
1 32 ASP 0.027 0.007 16 0 "[ . 1 . 2]"
1 33 PRO 0.082 0.011 20 0 "[ . 1 . 2]"
1 34 PRO 0.081 0.025 5 0 "[ . 1 . 2]"
1 35 GLN 0.022 0.007 17 0 "[ . 1 . 2]"
1 36 ARG 0.035 0.012 9 0 "[ . 1 . 2]"
1 37 LYS 0.005 0.002 10 0 "[ . 1 . 2]"
1 38 TYR 0.130 0.012 9 0 "[ . 1 . 2]"
1 39 PRO 0.018 0.011 17 0 "[ . 1 . 2]"
1 40 LEU 0.145 0.036 13 0 "[ . 1 . 2]"
1 41 GLU 0.085 0.036 13 0 "[ . 1 . 2]"
1 42 LYS 0.003 0.003 19 0 "[ . 1 . 2]"
1 43 GLY 0.050 0.019 19 0 "[ . 1 . 2]"
1 44 THR 0.148 0.019 19 0 "[ . 1 . 2]"
1 45 PRO 0.016 0.015 10 0 "[ . 1 . 2]"
1 47 PRO 1.248 0.059 16 0 "[ . 1 . 2]"
1 48 TRP 2.984 0.104 12 0 "[ . 1 . 2]"
1 49 TRP 15.869 1.250 17 15 "[*-**** **** *.*+ **]"
1 50 PRO 0.323 0.031 19 0 "[ . 1 . 2]"
1 51 THR 0.004 0.002 1 0 "[ . 1 . 2]"
1 52 GLY 0.010 0.005 17 0 "[ . 1 . 2]"
1 53 ASN 0.012 0.007 16 0 "[ . 1 . 2]"
1 54 GLU 0.033 0.007 16 0 "[ . 1 . 2]"
1 55 GLU 0.108 0.048 8 0 "[ . 1 . 2]"
1 56 TRP 0.051 0.010 2 0 "[ . 1 . 2]"
1 57 TRP 0.063 0.006 17 0 "[ . 1 . 2]"
1 58 VAL 0.089 0.048 8 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 13 0 "[ . 1 . 2]"
1 60 LEU 0.006 0.004 18 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.036 0.006 17 0 "[ . 1 . 2]"
1 63 PRO 0.020 0.006 3 0 "[ . 1 . 2]"
1 64 LYS 0.007 0.003 17 0 "[ . 1 . 2]"
1 65 SER 0.018 0.003 12 0 "[ . 1 . 2]"
1 66 GLN 0.011 0.011 7 0 "[ . 1 . 2]"
1 67 SER 0.016 0.011 7 0 "[ . 1 . 2]"
1 68 PRO 14.058 1.250 17 15 "[*-**** **** *.*+ **]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 TYR 0.243 0.021 16 0 "[ . 1 . 2]"
1 71 ARG 0.059 0.017 11 0 "[ . 1 . 2]"
1 72 LYS 0.020 0.010 3 0 "[ . 1 . 2]"
1 73 PRO 0.018 0.010 3 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.028 0.007 13 0 "[ . 1 . 2]"
1 77 LYS 0.149 0.019 3 0 "[ . 1 . 2]"
1 78 LYS 0.149 0.019 3 0 "[ . 1 . 2]"
1 79 MET 0.000 0.000 4 0 "[ . 1 . 2]"
1 80 TRP 0.050 0.006 15 0 "[ . 1 . 2]"
1 81 LYS 0.002 0.002 10 0 "[ . 1 . 2]"
1 82 VAL 0.006 0.005 20 0 "[ . 1 . 2]"
1 83 GLY 0.010 0.003 3 0 "[ . 1 . 2]"
1 84 VAL 0.119 0.011 5 0 "[ . 1 . 2]"
1 85 LEU 0.029 0.020 3 0 "[ . 1 . 2]"
1 86 THR 0.038 0.005 7 0 "[ . 1 . 2]"
1 87 ALA 0.247 0.016 1 0 "[ . 1 . 2]"
1 88 VAL 0.212 0.013 19 0 "[ . 1 . 2]"
1 89 ILE 0.054 0.010 5 0 "[ . 1 . 2]"
1 90 ASN 0.007 0.003 7 0 "[ . 1 . 2]"
1 91 HIS 0.016 0.009 16 0 "[ . 1 . 2]"
1 92 MET 0.205 0.047 5 0 "[ . 1 . 2]"
1 93 LEU 0.078 0.016 15 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.019 0.007 16 0 "[ . 1 . 2]"
1 96 ILE 0.141 0.048 13 0 "[ . 1 . 2]"
1 97 ALA 0.066 0.048 13 0 "[ . 1 . 2]"
1 98 LYS 0.029 0.007 16 0 "[ . 1 . 2]"
1 99 ILE 0.139 0.019 16 0 "[ . 1 . 2]"
1 100 LYS 0.082 0.019 16 0 "[ . 1 . 2]"
1 101 ARG 0.029 0.008 1 0 "[ . 1 . 2]"
1 102 HIS 0.159 0.023 5 0 "[ . 1 . 2]"
1 103 VAL 0.034 0.007 16 0 "[ . 1 . 2]"
1 104 ARG 0.029 0.008 1 0 "[ . 1 . 2]"
1 105 GLN 0.032 0.027 18 0 "[ . 1 . 2]"
1 106 SER 0.032 0.027 18 0 "[ . 1 . 2]"
1 108 CYS 0.101 0.036 5 0 "[ . 1 . 2]"
1 109 LEU 0.156 0.036 5 0 "[ . 1 . 2]"
1 110 GLN 0.255 0.051 14 0 "[ . 1 . 2]"
1 111 ASP 0.261 0.051 14 0 "[ . 1 . 2]"
1 112 LYS 0.053 0.041 19 0 "[ . 1 . 2]"
1 113 MET 0.032 0.012 14 0 "[ . 1 . 2]"
1 114 THR 0.025 0.007 15 0 "[ . 1 . 2]"
1 115 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.013 0.008 10 0 "[ . 1 . 2]"
1 117 GLU 0.013 0.008 10 0 "[ . 1 . 2]"
1 118 SER 0.019 0.006 2 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ILE 0.016 0.005 13 0 "[ . 1 . 2]"
1 121 TRP 0.114 0.010 5 0 "[ . 1 . 2]"
1 122 LEU 0.015 0.005 13 0 "[ . 1 . 2]"
1 123 ALA 0.008 0.003 15 0 "[ . 1 . 2]"
1 124 VAL 0.022 0.008 11 0 "[ . 1 . 2]"
1 125 LEU 0.047 0.007 7 0 "[ . 1 . 2]"
1 126 ASN 0.007 0.003 15 0 "[ . 1 . 2]"
1 127 GLN 0.010 0.008 11 0 "[ . 1 . 2]"
1 128 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLU 0.011 0.004 12 0 "[ . 1 . 2]"
1 130 SER 0.017 0.009 7 0 "[ . 1 . 2]"
1 131 LEU 0.009 0.009 7 0 "[ . 1 . 2]"
1 132 ILE 0.008 0.003 4 0 "[ . 1 . 2]"
1 133 GLN 0.198 0.048 20 0 "[ . 1 . 2]"
1 134 GLN 0.196 0.048 20 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 8 SER HA 1 9 GLN H 2.500 . 3.500 2.573 2.144 3.502 0.002 18 0 "[ . 1 . 2]" 1
2 1 8 SER QB 1 9 GLN H 3.500 . 4.500 3.197 2.216 3.986 . 0 0 "[ . 1 . 2]" 1
3 1 9 GLN HA 1 10 PHE H 2.000 . 2.800 2.280 2.142 2.800 . 0 0 "[ . 1 . 2]" 1
4 1 9 GLN QB 1 10 PHE H 3.500 . 4.500 3.586 2.029 3.988 . 0 0 "[ . 1 . 2]" 1
5 1 10 PHE HA 1 11 VAL MG1 3.500 . 4.500 3.728 3.490 4.152 . 0 0 "[ . 1 . 2]" 1
6 1 10 PHE HA 1 11 VAL MG2 3.500 . 4.500 3.548 3.317 3.796 . 0 0 "[ . 1 . 2]" 1
7 1 10 PHE HA 1 11 VAL H 2.000 . 2.800 2.380 2.141 2.626 . 0 0 "[ . 1 . 2]" 1
8 1 10 PHE HB3 1 11 VAL H 3.500 . 4.500 2.576 2.001 3.502 . 0 0 "[ . 1 . 2]" 1
9 1 10 PHE HB2 1 11 VAL H 5.000 2.500 6.000 3.742 3.157 4.303 . 0 0 "[ . 1 . 2]" 1
10 1 10 PHE QD 1 11 VAL H 3.500 . 4.500 3.538 2.444 4.264 . 0 0 "[ . 1 . 2]" 1
11 1 10 PHE H 1 11 VAL H 5.000 2.500 6.000 4.574 4.471 4.632 . 0 0 "[ . 1 . 2]" 1
12 1 10 PHE QD 1 14 ASP HB3 5.000 2.500 6.000 4.474 3.520 5.650 . 0 0 "[ . 1 . 2]" 1
13 1 10 PHE HB2 1 120 ILE HA 3.500 . 4.500 3.299 2.449 4.243 . 0 0 "[ . 1 . 2]" 1
14 1 10 PHE HB2 1 120 ILE MG 3.500 . 4.500 2.814 2.052 3.638 . 0 0 "[ . 1 . 2]" 1
15 1 10 PHE QD 1 120 ILE HA 3.500 . 4.500 3.227 2.450 4.053 . 0 0 "[ . 1 . 2]" 1
16 1 10 PHE QD 1 120 ILE MD 3.500 . 4.500 3.654 2.448 4.499 . 0 0 "[ . 1 . 2]" 1
17 1 10 PHE QD 1 120 ILE QG 3.500 . 4.500 3.162 2.449 4.500 . 0 0 "[ . 1 . 2]" 1
18 1 10 PHE QD 1 120 ILE MG 2.500 . 3.500 2.964 2.033 3.391 . 0 0 "[ . 1 . 2]" 1
19 1 10 PHE QE 1 120 ILE MD 5.000 2.500 6.000 3.977 2.863 4.910 . 0 0 "[ . 1 . 2]" 1
20 1 10 PHE QE 1 120 ILE QG 5.000 2.500 6.000 3.582 2.655 4.719 . 0 0 "[ . 1 . 2]" 1
21 1 10 PHE QE 1 120 ILE MG 5.000 2.500 6.000 4.359 3.628 4.923 . 0 0 "[ . 1 . 2]" 1
22 1 10 PHE HB3 1 123 ALA MB 3.500 . 4.500 3.594 2.634 4.324 . 0 0 "[ . 1 . 2]" 1
23 1 10 PHE HB2 1 123 ALA MB 3.500 . 4.500 2.458 1.999 2.944 0.001 4 0 "[ . 1 . 2]" 1
24 1 10 PHE QD 1 123 ALA MB 2.000 . 2.800 2.214 1.931 2.798 . 0 0 "[ . 1 . 2]" 1
25 1 10 PHE QE 1 123 ALA MB 3.500 . 4.500 3.566 3.001 4.416 . 0 0 "[ . 1 . 2]" 1
26 1 10 PHE H 1 123 ALA MB 3.500 . 4.500 3.293 2.429 4.144 . 0 0 "[ . 1 . 2]" 1
27 1 10 PHE HB3 1 124 VAL MG2 3.500 . 4.500 3.224 2.347 3.853 . 0 0 "[ . 1 . 2]" 1
28 1 10 PHE QD 1 124 VAL MG2 3.500 . 4.500 4.296 3.889 4.502 0.002 13 0 "[ . 1 . 2]" 1
29 1 10 PHE H 1 124 VAL MG2 3.500 . 4.500 4.270 3.549 4.503 0.003 10 0 "[ . 1 . 2]" 1
30 1 11 VAL HA 1 12 LEU HA 5.000 2.500 6.000 4.321 4.304 4.343 . 0 0 "[ . 1 . 2]" 1
31 1 11 VAL HA 1 12 LEU H 2.000 . 2.800 2.459 2.324 2.597 . 0 0 "[ . 1 . 2]" 1
32 1 11 VAL HB 1 12 LEU H 2.500 . 3.500 2.261 1.991 2.570 . 0 0 "[ . 1 . 2]" 1
33 1 11 VAL MG1 1 12 LEU H 2.500 . 3.500 3.470 3.386 3.505 0.005 13 0 "[ . 1 . 2]" 1
34 1 11 VAL HA 1 13 GLN H 5.000 2.500 6.000 4.314 4.113 4.708 . 0 0 "[ . 1 . 2]" 1
35 1 11 VAL MG1 1 13 GLN H 5.000 2.500 6.000 4.189 4.072 4.453 . 0 0 "[ . 1 . 2]" 1
36 1 11 VAL MG2 1 13 GLN HB3 3.500 . 4.500 2.743 2.402 3.219 . 0 0 "[ . 1 . 2]" 1
37 1 11 VAL MG2 1 13 GLN HB2 3.500 . 4.500 3.707 3.051 4.178 . 0 0 "[ . 1 . 2]" 1
38 1 11 VAL MG2 1 13 GLN H 2.500 . 3.500 2.897 2.595 3.227 . 0 0 "[ . 1 . 2]" 1
39 1 11 VAL QG 1 14 ASP HA 3.500 . 4.500 3.682 3.385 3.935 . 0 0 "[ . 1 . 2]" 1
40 1 11 VAL MG2 1 14 ASP HB3 2.500 . 3.500 3.427 3.281 3.501 0.001 15 0 "[ . 1 . 2]" 1
41 1 11 VAL MG2 1 14 ASP H 2.500 . 3.500 2.085 1.916 2.520 . 0 0 "[ . 1 . 2]" 1
42 1 11 VAL H 1 14 ASP HB3 5.000 2.500 6.000 4.204 3.507 4.832 . 0 0 "[ . 1 . 2]" 1
43 1 11 VAL H 1 14 ASP HB2 3.500 . 4.500 2.853 2.220 3.404 . 0 0 "[ . 1 . 2]" 1
44 1 11 VAL H 1 14 ASP H 3.500 . 4.500 4.042 3.595 4.477 . 0 0 "[ . 1 . 2]" 1
45 1 11 VAL H 1 120 ILE MG 3.500 . 4.500 3.273 2.725 4.137 . 0 0 "[ . 1 . 2]" 1
46 1 12 LEU HA 1 13 GLN H 3.500 . 4.500 3.498 3.477 3.551 . 0 0 "[ . 1 . 2]" 1
47 1 12 LEU QB 1 13 GLN H 3.500 . 4.500 2.795 2.529 2.937 . 0 0 "[ . 1 . 2]" 1
48 1 12 LEU QD 1 13 GLN H 3.500 . 4.500 4.006 3.500 4.265 . 0 0 "[ . 1 . 2]" 1
49 1 12 LEU H 1 13 GLN H 3.500 . 4.500 2.433 2.259 2.581 . 0 0 "[ . 1 . 2]" 1
50 1 12 LEU H 1 14 ASP H 5.000 2.500 6.000 3.971 3.805 4.113 . 0 0 "[ . 1 . 2]" 1
51 1 12 LEU HA 1 15 LEU QD 2.500 . 3.500 2.444 1.894 3.408 . 0 0 "[ . 1 . 2]" 1
52 1 12 LEU HA 1 15 LEU H 5.000 2.500 6.000 4.062 3.457 4.614 . 0 0 "[ . 1 . 2]" 1
53 1 12 LEU QB 1 82 VAL MG1 2.500 . 3.500 1.950 1.823 2.419 . 0 0 "[ . 1 . 2]" 1
54 1 12 LEU QD 1 82 VAL MG1 2.000 . 2.800 2.431 1.860 2.801 0.001 2 0 "[ . 1 . 2]" 1
55 1 12 LEU HG 1 82 VAL MG1 3.500 . 4.500 3.361 2.571 4.092 . 0 0 "[ . 1 . 2]" 1
56 1 12 LEU QD 1 121 TRP HE3 2.500 . 3.500 2.777 2.162 3.300 . 0 0 "[ . 1 . 2]" 1
57 1 12 LEU QD 1 121 TRP HZ3 2.500 . 3.500 2.110 1.882 2.543 . 0 0 "[ . 1 . 2]" 1
58 1 12 LEU HA 1 124 VAL MG1 3.500 . 4.500 3.865 3.104 4.503 0.003 9 0 "[ . 1 . 2]" 1
59 1 12 LEU HA 1 124 VAL MG2 2.500 . 3.500 3.087 2.463 3.501 0.001 12 0 "[ . 1 . 2]" 1
60 1 12 LEU QD 1 124 VAL HB 2.500 . 3.500 2.800 2.151 3.240 . 0 0 "[ . 1 . 2]" 1
61 1 12 LEU QD 1 124 VAL MG1 2.500 . 3.500 2.081 1.701 2.509 . 0 0 "[ . 1 . 2]" 1
62 1 12 LEU QD 1 124 VAL MG2 2.000 . 2.800 2.408 2.009 2.772 . 0 0 "[ . 1 . 2]" 1
63 1 13 GLN HA 1 14 ASP H 3.500 . 4.500 3.451 3.381 3.491 . 0 0 "[ . 1 . 2]" 1
64 1 13 GLN HB3 1 14 ASP H 3.500 . 4.500 3.062 2.852 3.310 . 0 0 "[ . 1 . 2]" 1
65 1 13 GLN HB2 1 14 ASP H 3.500 . 4.500 3.941 3.649 4.175 . 0 0 "[ . 1 . 2]" 1
66 1 13 GLN H 1 14 ASP H 3.500 . 4.500 2.611 2.516 2.709 . 0 0 "[ . 1 . 2]" 1
67 1 13 GLN HA 1 15 LEU H 3.500 . 4.500 3.531 3.363 3.850 . 0 0 "[ . 1 . 2]" 1
68 1 13 GLN H 1 15 LEU H 5.000 2.500 6.000 4.362 4.119 4.774 . 0 0 "[ . 1 . 2]" 1
69 1 13 GLN HA 1 82 VAL MG2 2.000 . 2.800 2.423 1.877 2.805 0.005 20 0 "[ . 1 . 2]" 1
70 1 13 GLN H 1 82 VAL MG1 3.500 . 4.500 3.051 2.508 3.515 . 0 0 "[ . 1 . 2]" 1
71 1 14 ASP HA 1 15 LEU H 3.500 . 4.500 3.136 2.823 3.464 . 0 0 "[ . 1 . 2]" 1
72 1 14 ASP HB3 1 15 LEU H 3.500 . 4.500 4.155 3.618 4.438 . 0 0 "[ . 1 . 2]" 1
73 1 14 ASP HB2 1 15 LEU H 5.000 2.500 6.000 3.846 3.176 4.276 . 0 0 "[ . 1 . 2]" 1
74 1 14 ASP H 1 15 LEU H 2.500 . 3.500 2.765 2.540 3.121 . 0 0 "[ . 1 . 2]" 1
75 1 14 ASP HB3 1 120 ILE MD 3.500 . 4.500 3.844 2.801 4.441 . 0 0 "[ . 1 . 2]" 1
76 1 14 ASP HB2 1 120 ILE MG 3.500 . 4.500 3.525 2.893 4.150 . 0 0 "[ . 1 . 2]" 1
77 1 15 LEU HA 1 16 GLN H 2.500 . 3.500 2.387 2.228 2.654 . 0 0 "[ . 1 . 2]" 1
78 1 15 LEU QB 1 16 GLN H 3.500 . 4.500 2.705 2.065 3.376 . 0 0 "[ . 1 . 2]" 1
79 1 15 LEU QD 1 16 GLN H 3.500 . 4.500 2.891 2.142 3.574 . 0 0 "[ . 1 . 2]" 1
80 1 15 LEU H 1 16 GLN H 5.000 2.500 6.000 4.559 4.409 4.628 . 0 0 "[ . 1 . 2]" 1
81 1 15 LEU QB 1 20 LEU QD 3.500 . 4.500 2.488 2.030 3.214 . 0 0 "[ . 1 . 2]" 1
82 1 15 LEU QD 1 120 ILE MG 2.000 . 2.800 2.011 1.749 2.637 . 0 0 "[ . 1 . 2]" 1
83 1 15 LEU QD 1 121 TRP HE3 2.500 . 3.500 2.555 2.068 3.146 . 0 0 "[ . 1 . 2]" 1
84 1 16 GLN HA 1 17 ASP H 2.500 . 3.500 2.317 2.144 2.574 . 0 0 "[ . 1 . 2]" 1
85 1 16 GLN HB3 1 17 ASP H 3.500 . 4.500 2.727 2.132 3.358 . 0 0 "[ . 1 . 2]" 1
86 1 16 GLN HB2 1 17 ASP H 3.500 . 4.500 3.913 3.558 4.374 . 0 0 "[ . 1 . 2]" 1
87 1 16 GLN QG 1 17 ASP H 3.500 . 4.500 3.949 3.235 4.426 . 0 0 "[ . 1 . 2]" 1
88 1 16 GLN H 1 17 ASP H 5.000 2.500 6.000 4.583 4.520 4.625 . 0 0 "[ . 1 . 2]" 1
89 1 16 GLN HA 1 18 ALA H 5.000 2.500 6.000 4.142 3.799 4.527 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLN HB3 1 18 ALA H 3.500 . 4.500 2.637 2.354 3.120 . 0 0 "[ . 1 . 2]" 1
91 1 16 GLN HB2 1 18 ALA H 3.500 . 4.500 3.758 2.908 4.267 . 0 0 "[ . 1 . 2]" 1
92 1 16 GLN QG 1 18 ALA H 5.000 2.500 6.000 4.514 3.791 5.099 . 0 0 "[ . 1 . 2]" 1
93 1 16 GLN HB2 1 19 THR H 3.500 . 4.500 2.805 2.365 3.441 . 0 0 "[ . 1 . 2]" 1
94 1 16 GLN QG 1 19 THR H 3.500 . 4.500 4.385 4.166 4.504 0.004 16 0 "[ . 1 . 2]" 1
95 1 16 GLN H 1 19 THR MG 5.000 2.500 6.000 4.106 2.666 4.760 . 0 0 "[ . 1 . 2]" 1
96 1 16 GLN H 1 19 THR H 5.000 2.500 6.000 4.353 3.950 4.878 . 0 0 "[ . 1 . 2]" 1
97 1 16 GLN HB2 1 20 LEU H 3.500 . 4.500 4.117 3.597 4.444 . 0 0 "[ . 1 . 2]" 1
98 1 16 GLN H 1 20 LEU H 5.000 2.500 6.000 4.329 3.915 4.796 . 0 0 "[ . 1 . 2]" 1
99 1 16 GLN H 1 120 ILE MG 5.000 2.500 6.000 5.584 4.927 6.001 0.001 19 0 "[ . 1 . 2]" 1
100 1 17 ASP HA 1 18 ALA H 5.000 2.500 6.000 3.502 3.470 3.548 . 0 0 "[ . 1 . 2]" 1
101 1 17 ASP HB3 1 18 ALA H 3.500 . 4.500 2.813 2.586 2.995 . 0 0 "[ . 1 . 2]" 1
102 1 17 ASP HB2 1 18 ALA H 3.500 . 4.500 3.819 3.441 3.996 . 0 0 "[ . 1 . 2]" 1
103 1 17 ASP H 1 18 ALA H 3.500 . 4.500 2.575 2.309 2.738 . 0 0 "[ . 1 . 2]" 1
104 1 17 ASP H 1 19 THR H 5.000 2.500 6.000 4.304 3.816 5.094 . 0 0 "[ . 1 . 2]" 1
105 1 17 ASP HA 1 20 LEU QB 5.000 2.500 6.000 2.822 2.492 4.503 0.008 9 0 "[ . 1 . 2]" 1
106 1 17 ASP HA 1 20 LEU QD 2.500 . 3.500 2.925 1.858 3.487 . 0 0 "[ . 1 . 2]" 1
107 1 17 ASP HA 1 20 LEU H 3.500 . 4.500 3.648 3.393 4.308 . 0 0 "[ . 1 . 2]" 1
108 1 18 ALA HA 1 19 THR H 3.500 . 4.500 3.539 3.478 3.571 . 0 0 "[ . 1 . 2]" 1
109 1 18 ALA MB 1 19 THR H 2.500 . 3.500 2.518 2.028 2.857 . 0 0 "[ . 1 . 2]" 1
110 1 18 ALA H 1 19 THR H 3.500 . 4.500 2.640 2.318 2.930 . 0 0 "[ . 1 . 2]" 1
111 1 18 ALA H 1 20 LEU H 5.000 2.500 6.000 4.002 3.641 4.540 . 0 0 "[ . 1 . 2]" 1
112 1 19 THR HA 1 20 LEU H 3.500 . 4.500 3.523 3.482 3.575 . 0 0 "[ . 1 . 2]" 1
113 1 19 THR HB 1 20 LEU H 3.500 . 4.500 3.072 2.088 4.156 . 0 0 "[ . 1 . 2]" 1
114 1 19 THR MG 1 20 LEU H 3.500 . 4.500 3.825 2.001 4.161 . 0 0 "[ . 1 . 2]" 1
115 1 19 THR H 1 20 LEU H 2.500 . 3.500 2.598 2.390 2.835 . 0 0 "[ . 1 . 2]" 1
116 1 19 THR H 1 21 GLY H 5.000 2.500 6.000 4.181 3.682 4.852 . 0 0 "[ . 1 . 2]" 1
117 1 19 THR HA 1 22 SER H 3.500 . 4.500 3.458 3.312 3.702 . 0 0 "[ . 1 . 2]" 1
118 1 19 THR HA 1 23 LEU QD 5.000 2.500 6.000 4.132 3.644 4.771 . 0 0 "[ . 1 . 2]" 1
119 1 19 THR HA 1 23 LEU H 5.000 2.500 6.000 4.300 3.844 4.827 . 0 0 "[ . 1 . 2]" 1
120 1 19 THR HB 1 23 LEU QD 5.000 2.500 6.000 3.439 2.562 4.298 . 0 0 "[ . 1 . 2]" 1
121 1 19 THR MG 1 23 LEU QD 3.500 . 4.500 3.027 1.998 4.263 0.002 10 0 "[ . 1 . 2]" 1
122 1 19 THR MG 1 113 MET ME 2.500 . 3.500 2.660 1.734 3.502 0.002 17 0 "[ . 1 . 2]" 1
123 1 19 THR MG 1 113 MET QG 3.500 . 4.500 3.213 2.019 4.225 . 0 0 "[ . 1 . 2]" 1
124 1 20 LEU HA 1 21 GLY H 3.500 . 4.500 3.526 3.458 3.575 . 0 0 "[ . 1 . 2]" 1
125 1 20 LEU QB 1 21 GLY H 3.500 . 4.500 2.734 2.055 3.597 . 0 0 "[ . 1 . 2]" 1
126 1 20 LEU QD 1 21 GLY QA 3.500 . 4.500 3.550 2.278 4.501 0.001 20 0 "[ . 1 . 2]" 1
127 1 20 LEU H 1 21 GLY H 3.500 . 4.500 2.704 2.545 2.962 . 0 0 "[ . 1 . 2]" 1
128 1 20 LEU HA 1 22 SER H 5.000 2.500 6.000 4.225 3.911 4.528 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU H 1 22 SER H 5.000 2.500 6.000 4.095 3.783 4.416 . 0 0 "[ . 1 . 2]" 1
130 1 20 LEU HA 1 23 LEU HB2 3.500 . 4.500 3.188 2.532 3.783 . 0 0 "[ . 1 . 2]" 1
131 1 20 LEU HA 1 23 LEU QD 2.500 . 3.500 2.743 1.952 3.298 . 0 0 "[ . 1 . 2]" 1
132 1 20 LEU HA 1 23 LEU H 3.500 . 4.500 3.673 3.323 4.067 . 0 0 "[ . 1 . 2]" 1
133 1 20 LEU H 1 23 LEU QD 5.000 2.500 6.000 4.285 3.663 4.819 . 0 0 "[ . 1 . 2]" 1
134 1 21 GLY QA 1 22 SER H 5.000 2.500 6.000 2.791 2.699 2.839 . 0 0 "[ . 1 . 2]" 1
135 1 21 GLY H 1 22 SER H 3.500 . 4.500 2.611 2.419 2.777 . 0 0 "[ . 1 . 2]" 1
136 1 21 GLY H 1 23 LEU H 5.000 2.500 6.000 4.374 4.020 4.879 . 0 0 "[ . 1 . 2]" 1
137 1 21 GLY QA 1 24 LEU QB 3.500 . 4.500 2.915 2.402 4.377 . 0 0 "[ . 1 . 2]" 1
138 1 21 GLY QA 1 24 LEU H 3.500 . 4.500 3.664 3.462 4.006 . 0 0 "[ . 1 . 2]" 1
139 1 22 SER HA 1 23 LEU H 3.500 . 4.500 3.545 3.489 3.570 . 0 0 "[ . 1 . 2]" 1
140 1 22 SER QB 1 23 LEU HG 5.000 2.500 6.000 3.486 2.702 5.342 . 0 0 "[ . 1 . 2]" 1
141 1 22 SER QB 1 23 LEU H 3.500 . 4.500 2.660 2.160 3.430 . 0 0 "[ . 1 . 2]" 1
142 1 22 SER H 1 23 LEU H 2.500 . 3.500 2.628 2.398 2.831 . 0 0 "[ . 1 . 2]" 1
143 1 22 SER HA 1 24 LEU H 5.000 2.500 6.000 4.732 4.321 4.967 . 0 0 "[ . 1 . 2]" 1
144 1 22 SER H 1 24 LEU H 3.500 . 4.500 4.169 3.878 4.478 . 0 0 "[ . 1 . 2]" 1
145 1 22 SER HA 1 25 SER QB 3.500 . 4.500 3.073 2.558 4.309 . 0 0 "[ . 1 . 2]" 1
146 1 22 SER HA 1 25 SER H 3.500 . 4.500 3.790 3.467 4.094 . 0 0 "[ . 1 . 2]" 1
147 1 22 SER QB 1 109 LEU QD 2.500 . 3.500 2.358 1.723 3.498 . 0 0 "[ . 1 . 2]" 1
148 1 23 LEU HA 1 24 LEU H 3.500 . 4.500 3.553 3.513 3.571 . 0 0 "[ . 1 . 2]" 1
149 1 23 LEU HB3 1 24 LEU H 3.500 . 4.500 3.442 3.050 3.774 . 0 0 "[ . 1 . 2]" 1
150 1 23 LEU HB2 1 24 LEU H 2.000 . 2.800 2.473 2.266 2.726 . 0 0 "[ . 1 . 2]" 1
151 1 23 LEU MD1 1 24 LEU H 5.000 2.500 6.000 4.179 3.834 4.479 . 0 0 "[ . 1 . 2]" 1
152 1 23 LEU MD2 1 24 LEU H 5.000 2.500 6.000 4.687 3.744 4.923 . 0 0 "[ . 1 . 2]" 1
153 1 23 LEU HG 1 24 LEU H 5.000 2.500 6.000 4.403 4.155 4.724 . 0 0 "[ . 1 . 2]" 1
154 1 23 LEU H 1 24 LEU H 3.500 . 4.500 2.710 2.573 2.930 . 0 0 "[ . 1 . 2]" 1
155 1 23 LEU H 1 25 SER H 5.000 2.500 6.000 4.172 3.776 4.768 . 0 0 "[ . 1 . 2]" 1
156 1 23 LEU HA 1 26 SER QB 3.500 . 4.500 3.108 2.214 4.502 0.002 20 0 "[ . 1 . 2]" 1
157 1 23 LEU HA 1 26 SER H 5.000 2.500 6.000 3.544 3.292 3.745 . 0 0 "[ . 1 . 2]" 1
158 1 23 LEU QD 1 26 SER H 5.000 2.500 6.000 5.088 4.602 5.425 . 0 0 "[ . 1 . 2]" 1
159 1 23 LEU QD 1 27 LEU QD 2.500 . 3.500 3.166 2.281 3.503 0.003 18 0 "[ . 1 . 2]" 1
160 1 23 LEU QD 1 85 LEU QD 2.500 . 3.500 3.293 2.694 3.520 0.020 3 0 "[ . 1 . 2]" 1
161 1 23 LEU QD 1 103 VAL HB 5.000 2.500 6.000 4.381 3.608 4.957 . 0 0 "[ . 1 . 2]" 1
162 1 23 LEU QD 1 103 VAL MG1 2.000 . 2.800 2.385 1.781 2.803 0.003 16 0 "[ . 1 . 2]" 1
163 1 23 LEU QD 1 103 VAL MG2 2.500 . 3.500 2.536 1.893 3.055 . 0 0 "[ . 1 . 2]" 1
164 1 23 LEU HA 1 109 LEU MD1 3.500 . 4.500 4.006 3.192 4.506 0.006 16 0 "[ . 1 . 2]" 1
165 1 23 LEU HA 1 109 LEU MD2 3.500 . 4.500 3.823 2.756 4.505 0.005 6 0 "[ . 1 . 2]" 1
166 1 23 LEU QD 1 109 LEU QD 2.500 . 3.500 2.663 1.893 3.326 . 0 0 "[ . 1 . 2]" 1
167 1 23 LEU HG 1 109 LEU QD 3.500 . 4.500 3.427 2.312 4.507 0.007 3 0 "[ . 1 . 2]" 1
168 1 23 LEU MD1 1 113 MET ME 3.500 . 4.500 2.610 2.083 3.220 . 0 0 "[ . 1 . 2]" 1
169 1 23 LEU MD2 1 113 MET ME 3.500 . 4.500 2.443 2.029 3.146 . 0 0 "[ . 1 . 2]" 1
170 1 23 LEU HG 1 113 MET ME 2.500 . 3.500 3.215 2.740 3.503 0.003 3 0 "[ . 1 . 2]" 1
171 1 23 LEU HB3 1 121 TRP HH2 3.500 . 4.500 3.741 3.102 4.170 . 0 0 "[ . 1 . 2]" 1
172 1 23 LEU HB3 1 121 TRP HZ2 2.500 . 3.500 3.460 3.247 3.508 0.008 5 0 "[ . 1 . 2]" 1
173 1 23 LEU QD 1 121 TRP HE1 5.000 2.500 6.000 2.773 2.579 3.224 . 0 0 "[ . 1 . 2]" 1
174 1 23 LEU QD 1 121 TRP HE3 3.500 . 4.500 3.007 2.509 4.113 . 0 0 "[ . 1 . 2]" 1
175 1 23 LEU QD 1 121 TRP HH2 3.500 . 4.500 3.546 3.093 4.153 . 0 0 "[ . 1 . 2]" 1
176 1 23 LEU QD 1 121 TRP HZ2 3.500 . 4.500 3.018 2.689 3.437 . 0 0 "[ . 1 . 2]" 1
177 1 23 LEU QD 1 121 TRP HZ3 3.500 . 4.500 3.325 2.621 4.355 . 0 0 "[ . 1 . 2]" 1
178 1 23 LEU MD1 1 121 TRP HH2 5.000 2.500 6.000 3.776 3.158 4.402 . 0 0 "[ . 1 . 2]" 1
179 1 23 LEU MD2 1 121 TRP HH2 5.000 2.500 6.000 4.376 3.936 5.090 . 0 0 "[ . 1 . 2]" 1
180 1 24 LEU HA 1 25 SER H 3.500 . 4.500 3.536 3.492 3.571 . 0 0 "[ . 1 . 2]" 1
181 1 24 LEU QB 1 25 SER H 2.500 . 3.500 2.609 2.036 3.502 0.002 12 0 "[ . 1 . 2]" 1
182 1 24 LEU QD 1 25 SER H 3.500 . 4.500 3.500 2.049 4.180 . 0 0 "[ . 1 . 2]" 1
183 1 24 LEU H 1 25 SER H 2.500 . 3.500 2.774 2.518 2.991 . 0 0 "[ . 1 . 2]" 1
184 1 24 LEU H 1 26 SER H 5.000 2.500 6.000 4.209 3.829 4.726 . 0 0 "[ . 1 . 2]" 1
185 1 24 LEU HA 1 27 LEU QB 3.500 . 4.500 2.935 2.099 4.205 . 0 0 "[ . 1 . 2]" 1
186 1 24 LEU HA 1 27 LEU QD 3.500 . 4.500 3.044 2.192 4.088 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU HA 1 27 LEU H 3.500 . 4.500 3.433 3.012 3.790 . 0 0 "[ . 1 . 2]" 1
188 1 24 LEU HA 1 28 MET H 5.000 2.500 6.000 4.169 3.294 4.744 . 0 0 "[ . 1 . 2]" 1
189 1 24 LEU QD 1 28 MET ME 2.500 . 3.500 2.334 1.769 3.076 . 0 0 "[ . 1 . 2]" 1
190 1 25 SER HA 1 26 SER H 3.500 . 4.500 3.525 3.480 3.571 . 0 0 "[ . 1 . 2]" 1
191 1 25 SER QB 1 26 SER H 3.500 . 4.500 2.799 2.214 3.557 . 0 0 "[ . 1 . 2]" 1
192 1 25 SER H 1 26 SER H 3.500 . 4.500 2.685 2.451 2.850 . 0 0 "[ . 1 . 2]" 1
193 1 25 SER H 1 27 LEU H 5.000 2.500 6.000 3.999 3.754 4.203 . 0 0 "[ . 1 . 2]" 1
194 1 25 SER HA 1 28 MET HB2 3.500 . 4.500 3.318 2.281 4.491 . 0 0 "[ . 1 . 2]" 1
195 1 25 SER HA 1 28 MET H 5.000 2.500 6.000 3.757 3.320 4.181 . 0 0 "[ . 1 . 2]" 1
196 1 26 SER HA 1 27 LEU H 5.000 2.500 6.000 3.432 3.115 3.547 . 0 0 "[ . 1 . 2]" 1
197 1 26 SER QB 1 27 LEU H 5.000 2.500 6.000 3.068 2.636 3.725 . 0 0 "[ . 1 . 2]" 1
198 1 26 SER H 1 27 LEU QB 5.000 2.500 6.000 4.327 3.961 4.915 . 0 0 "[ . 1 . 2]" 1
199 1 26 SER H 1 27 LEU H 2.500 . 3.500 2.489 2.255 2.729 . 0 0 "[ . 1 . 2]" 1
200 1 27 LEU HA 1 28 MET H 5.000 2.500 6.000 3.336 3.058 3.564 . 0 0 "[ . 1 . 2]" 1
201 1 27 LEU HB3 1 28 MET H 3.500 . 4.500 3.661 2.500 4.529 0.029 15 0 "[ . 1 . 2]" 1
202 1 27 LEU HB2 1 28 MET H 3.500 . 4.500 3.732 2.929 4.487 . 0 0 "[ . 1 . 2]" 1
203 1 27 LEU H 1 28 MET H 2.500 . 3.500 2.432 1.990 2.874 . 0 0 "[ . 1 . 2]" 1
204 1 27 LEU HA 1 29 GLN H 3.500 . 4.500 3.804 3.391 4.210 . 0 0 "[ . 1 . 2]" 1
205 1 27 LEU HA 1 30 HIS HD2 2.500 . 3.500 2.968 1.992 3.538 0.038 1 0 "[ . 1 . 2]" 1
206 1 27 LEU HA 1 30 HIS H 3.500 . 4.500 3.729 3.125 4.363 . 0 0 "[ . 1 . 2]" 1
207 1 27 LEU QD 1 30 HIS HD2 3.500 . 4.500 4.024 3.087 4.503 0.003 11 0 "[ . 1 . 2]" 1
208 1 27 LEU QD 1 85 LEU QD 2.500 . 3.500 2.851 2.079 3.471 . 0 0 "[ . 1 . 2]" 1
209 1 27 LEU QB 1 88 VAL MG1 3.500 . 4.500 2.897 1.999 4.003 0.001 13 0 "[ . 1 . 2]" 1
210 1 27 LEU QD 1 88 VAL MG1 2.500 . 3.500 2.071 1.692 2.735 . 0 0 "[ . 1 . 2]" 1
211 1 27 LEU HA 1 92 MET ME 5.000 2.500 6.000 3.536 2.521 4.405 . 0 0 "[ . 1 . 2]" 1
212 1 27 LEU QD 1 92 MET ME 2.000 . 2.800 2.318 1.767 2.828 0.028 1 0 "[ . 1 . 2]" 1
213 1 27 LEU QD 1 102 HIS HE1 5.000 2.500 6.000 3.115 2.499 5.902 0.001 16 0 "[ . 1 . 2]" 1
214 1 27 LEU HG 1 102 HIS HE1 5.000 2.500 6.000 4.415 2.537 6.018 0.018 5 0 "[ . 1 . 2]" 1
215 1 27 LEU QD 1 121 TRP HE3 5.000 2.500 6.000 5.787 5.301 6.005 0.005 13 0 "[ . 1 . 2]" 1
216 1 27 LEU QD 1 121 TRP HH2 3.500 . 4.500 2.807 2.090 3.227 . 0 0 "[ . 1 . 2]" 1
217 1 27 LEU QD 1 121 TRP HZ2 3.500 . 4.500 2.401 1.995 3.010 0.005 5 0 "[ . 1 . 2]" 1
218 1 28 MET HA 1 29 GLN H 5.000 2.500 6.000 3.097 2.490 3.525 0.010 16 0 "[ . 1 . 2]" 1
219 1 28 MET HB3 1 29 GLN H 3.500 . 4.500 3.539 2.680 4.380 . 0 0 "[ . 1 . 2]" 1
220 1 28 MET H 1 29 GLN H 3.500 . 4.500 2.902 2.313 3.741 . 0 0 "[ . 1 . 2]" 1
221 1 28 MET HA 1 30 HIS H 3.500 . 4.500 4.075 3.637 4.514 0.014 10 0 "[ . 1 . 2]" 1
222 1 28 MET H 1 30 HIS H 5.000 2.500 6.000 4.385 3.894 5.222 . 0 0 "[ . 1 . 2]" 1
223 1 28 MET HA 1 31 CYS H 5.000 2.500 6.000 4.444 4.032 5.445 . 0 0 "[ . 1 . 2]" 1
224 1 28 MET HA 1 48 TRP HH2 5.000 2.500 6.000 4.701 4.016 5.175 . 0 0 "[ . 1 . 2]" 1
225 1 28 MET HA 1 48 TRP HZ2 5.000 2.500 6.000 5.726 5.212 6.014 0.014 6 0 "[ . 1 . 2]" 1
226 1 28 MET ME 1 48 TRP HH2 5.000 2.500 6.000 3.562 2.596 4.429 . 0 0 "[ . 1 . 2]" 1
227 1 28 MET ME 1 48 TRP HZ3 5.000 2.500 6.000 3.260 2.731 3.940 . 0 0 "[ . 1 . 2]" 1
228 1 28 MET QG 1 48 TRP HH2 5.000 2.500 6.000 2.954 2.529 3.648 . 0 0 "[ . 1 . 2]" 1
229 1 28 MET QG 1 48 TRP HZ3 5.000 2.500 6.000 3.671 2.838 4.915 . 0 0 "[ . 1 . 2]" 1
230 1 28 MET ME 1 49 TRP HH2 5.000 2.500 6.000 4.201 3.162 5.319 . 0 0 "[ . 1 . 2]" 1
231 1 28 MET ME 1 49 TRP HZ3 3.500 . 4.500 3.656 2.442 4.498 . 0 0 "[ . 1 . 2]" 1
232 1 28 MET HA 1 88 VAL MG2 3.500 . 4.500 4.164 3.436 4.510 0.010 8 0 "[ . 1 . 2]" 1
233 1 28 MET ME 1 88 VAL MG1 5.000 2.500 6.000 4.894 4.216 5.373 . 0 0 "[ . 1 . 2]" 1
234 1 28 MET ME 1 88 VAL MG2 3.500 . 4.500 3.920 3.381 4.367 . 0 0 "[ . 1 . 2]" 1
235 1 29 GLN HA 1 30 HIS H 5.000 2.500 6.000 3.255 2.903 3.542 . 0 0 "[ . 1 . 2]" 1
236 1 29 GLN HB3 1 30 HIS H 3.500 . 4.500 3.369 2.569 4.112 . 0 0 "[ . 1 . 2]" 1
237 1 29 GLN H 1 30 HIS H 2.500 . 3.500 2.317 1.849 2.840 . 0 0 "[ . 1 . 2]" 1
238 1 29 GLN HA 1 31 CYS HB2 5.000 2.500 6.000 4.785 4.347 5.324 . 0 0 "[ . 1 . 2]" 1
239 1 29 GLN HA 1 31 CYS H 5.000 2.500 6.000 3.705 3.257 4.045 . 0 0 "[ . 1 . 2]" 1
240 1 29 GLN H 1 31 CYS H 5.000 2.500 6.000 3.757 2.528 4.874 . 0 0 "[ . 1 . 2]" 1
241 1 29 GLN HA 1 34 PRO HA 3.500 . 4.500 4.298 3.849 4.525 0.025 5 0 "[ . 1 . 2]" 1
242 1 29 GLN HA 1 35 GLN H 3.500 . 4.500 3.921 3.004 4.230 . 0 0 "[ . 1 . 2]" 1
243 1 30 HIS HA 1 31 CYS H 5.000 2.500 6.000 3.263 2.900 3.484 . 0 0 "[ . 1 . 2]" 1
244 1 30 HIS QB 1 31 CYS H 5.000 2.500 6.000 3.399 2.919 4.020 . 0 0 "[ . 1 . 2]" 1
245 1 30 HIS H 1 31 CYS H 2.500 . 3.500 2.387 1.898 2.775 . 0 0 "[ . 1 . 2]" 1
246 1 30 HIS HA 1 92 MET ME 3.500 . 4.500 4.137 3.756 4.502 0.002 10 0 "[ . 1 . 2]" 1
247 1 30 HIS QB 1 92 MET ME 2.000 . 2.800 2.194 1.786 2.847 0.047 5 0 "[ . 1 . 2]" 1
248 1 30 HIS HD2 1 92 MET ME 5.000 2.500 6.000 3.940 3.236 4.667 . 0 0 "[ . 1 . 2]" 1
249 1 30 HIS QB 1 102 HIS HD2 5.000 2.500 6.000 4.298 3.658 4.906 . 0 0 "[ . 1 . 2]" 1
250 1 30 HIS HD2 1 102 HIS QB 5.000 2.500 6.000 3.648 3.089 3.970 . 0 0 "[ . 1 . 2]" 1
251 1 30 HIS HD2 1 102 HIS HB3 3.500 . 4.500 4.171 3.170 4.504 0.004 15 0 "[ . 1 . 2]" 1
252 1 30 HIS HD2 1 102 HIS HB2 3.500 . 4.500 4.078 3.493 4.523 0.023 5 0 "[ . 1 . 2]" 1
253 1 31 CYS HA 1 32 ASP H 3.500 . 4.500 2.226 2.138 2.417 . 0 0 "[ . 1 . 2]" 1
254 1 31 CYS HB3 1 32 ASP H 5.000 2.500 6.000 3.103 2.496 3.742 0.004 16 0 "[ . 1 . 2]" 1
255 1 31 CYS HB2 1 32 ASP H 3.500 . 4.500 4.124 3.468 4.490 . 0 0 "[ . 1 . 2]" 1
256 1 31 CYS HB2 1 34 PRO HA 3.500 . 4.500 3.711 2.000 4.501 0.001 11 0 "[ . 1 . 2]" 1
257 1 31 CYS H 1 34 PRO HA 3.500 . 4.500 4.122 3.199 4.508 0.008 18 0 "[ . 1 . 2]" 1
258 1 31 CYS HB3 1 48 TRP HD1 5.000 2.500 6.000 3.314 2.622 3.899 . 0 0 "[ . 1 . 2]" 1
259 1 31 CYS HB3 1 48 TRP HE1 3.500 . 4.500 3.771 3.013 4.501 0.001 19 0 "[ . 1 . 2]" 1
260 1 31 CYS HB3 1 48 TRP HZ2 5.000 2.500 6.000 5.069 4.454 5.694 . 0 0 "[ . 1 . 2]" 1
261 1 31 CYS HB2 1 48 TRP HE1 3.500 . 4.500 3.952 3.152 4.369 . 0 0 "[ . 1 . 2]" 1
262 1 31 CYS HB2 1 48 TRP HZ2 3.500 . 4.500 4.376 4.115 4.507 0.007 1 0 "[ . 1 . 2]" 1
263 1 31 CYS HA 1 91 HIS HD2 2.500 . 3.500 3.303 2.931 3.509 0.009 16 0 "[ . 1 . 2]" 1
264 1 31 CYS HB3 1 91 HIS HD2 3.500 . 4.500 3.772 3.088 4.280 . 0 0 "[ . 1 . 2]" 1
265 1 31 CYS HA 1 92 MET ME 2.500 . 3.500 2.899 2.398 3.476 . 0 0 "[ . 1 . 2]" 1
266 1 31 CYS HA 1 92 MET QG 3.500 . 4.500 3.395 2.916 4.032 . 0 0 "[ . 1 . 2]" 1
267 1 31 CYS HB2 1 92 MET ME 3.500 . 4.500 4.259 3.809 4.521 0.021 1 0 "[ . 1 . 2]" 1
268 1 31 CYS H 1 92 MET ME 5.000 2.500 6.000 3.352 2.838 4.003 . 0 0 "[ . 1 . 2]" 1
269 1 32 ASP HA 1 33 PRO HA 2.000 . 2.800 2.044 1.768 2.158 . 0 0 "[ . 1 . 2]" 1
270 1 32 ASP HA 1 33 PRO QB 3.500 . 4.500 3.847 3.609 3.910 . 0 0 "[ . 1 . 2]" 1
271 1 32 ASP HA 1 33 PRO HB3 3.500 . 4.500 4.240 3.836 4.343 . 0 0 "[ . 1 . 2]" 1
272 1 32 ASP HA 1 33 PRO HB2 3.500 . 4.500 4.415 4.361 4.506 0.006 5 0 "[ . 1 . 2]" 1
273 1 32 ASP HB3 1 33 PRO HA 3.500 . 4.500 3.034 2.605 3.922 . 0 0 "[ . 1 . 2]" 1
274 1 32 ASP HB2 1 33 PRO HA 5.000 2.500 6.000 4.276 3.973 4.628 . 0 0 "[ . 1 . 2]" 1
275 1 32 ASP HA 1 34 PRO HD3 3.500 . 4.500 2.425 1.996 3.204 0.004 17 0 "[ . 1 . 2]" 1
276 1 32 ASP HA 1 34 PRO HD2 3.500 . 4.500 3.713 3.499 4.215 . 0 0 "[ . 1 . 2]" 1
277 1 32 ASP H 1 48 TRP HD1 5.000 2.500 6.000 4.669 3.932 5.471 . 0 0 "[ . 1 . 2]" 1
278 1 32 ASP H 1 91 HIS HD2 5.000 2.500 6.000 3.126 2.493 3.802 0.007 16 0 "[ . 1 . 2]" 1
279 1 33 PRO HA 1 34 PRO HD3 2.500 . 3.500 2.129 1.938 2.421 . 0 0 "[ . 1 . 2]" 1
280 1 33 PRO HA 1 34 PRO HD2 2.500 . 3.500 2.503 2.236 2.745 . 0 0 "[ . 1 . 2]" 1
281 1 33 PRO HA 1 34 PRO QG 3.500 . 4.500 3.901 3.801 4.132 . 0 0 "[ . 1 . 2]" 1
282 1 33 PRO QB 1 34 PRO QD 3.500 . 4.500 2.661 2.155 2.984 . 0 0 "[ . 1 . 2]" 1
283 1 33 PRO HA 1 38 TYR QE 5.000 2.500 6.000 5.109 4.630 5.911 . 0 0 "[ . 1 . 2]" 1
284 1 33 PRO QB 1 38 TYR QE 2.500 . 3.500 2.466 1.969 3.329 . 0 0 "[ . 1 . 2]" 1
285 1 33 PRO QD 1 38 TYR QE 3.500 . 4.500 3.737 2.068 4.503 0.003 1 0 "[ . 1 . 2]" 1
286 1 33 PRO QG 1 38 TYR QE 2.500 . 3.500 2.548 1.948 3.504 0.004 19 0 "[ . 1 . 2]" 1
287 1 33 PRO HD3 1 47 PRO HA 2.500 . 3.500 3.339 2.999 3.508 0.008 16 0 "[ . 1 . 2]" 1
288 1 33 PRO HD3 1 47 PRO QB 3.500 . 4.500 3.433 2.727 4.005 . 0 0 "[ . 1 . 2]" 1
289 1 33 PRO HD2 1 47 PRO HA 2.500 . 3.500 2.935 2.245 3.508 0.008 5 0 "[ . 1 . 2]" 1
290 1 33 PRO HD2 1 47 PRO QB 3.500 . 4.500 2.097 1.989 2.456 0.011 20 0 "[ . 1 . 2]" 1
291 1 33 PRO QD 1 48 TRP H 5.000 2.500 6.000 4.989 4.720 5.298 . 0 0 "[ . 1 . 2]" 1
292 1 33 PRO HD3 1 48 TRP HD1 5.000 2.500 6.000 4.334 3.772 4.891 . 0 0 "[ . 1 . 2]" 1
293 1 33 PRO HD3 1 48 TRP HE1 5.000 2.500 6.000 5.558 4.972 6.008 0.008 8 0 "[ . 1 . 2]" 1
294 1 33 PRO HD2 1 48 TRP HD1 5.000 2.500 6.000 3.051 2.632 3.751 . 0 0 "[ . 1 . 2]" 1
295 1 33 PRO HD2 1 48 TRP HE1 5.000 2.500 6.000 3.975 3.263 4.499 . 0 0 "[ . 1 . 2]" 1
296 1 34 PRO HA 1 35 GLN H 3.500 . 4.500 2.484 2.313 2.634 . 0 0 "[ . 1 . 2]" 1
297 1 34 PRO HA 1 36 ARG H 5.000 2.500 6.000 4.273 3.972 4.790 . 0 0 "[ . 1 . 2]" 1
298 1 35 GLN HA 1 36 ARG H 3.500 . 4.500 2.967 2.467 3.430 . 0 0 "[ . 1 . 2]" 1
299 1 35 GLN QB 1 36 ARG H 3.500 . 4.500 3.771 3.049 4.043 . 0 0 "[ . 1 . 2]" 1
300 1 35 GLN H 1 36 ARG H 3.500 . 4.500 2.922 2.283 3.660 . 0 0 "[ . 1 . 2]" 1
301 1 35 GLN HA 1 37 LYS H 5.000 2.500 6.000 3.996 3.056 4.697 . 0 0 "[ . 1 . 2]" 1
302 1 35 GLN HA 1 38 TYR QD 3.500 . 4.500 3.475 2.344 4.301 . 0 0 "[ . 1 . 2]" 1
303 1 35 GLN HA 1 38 TYR H 5.000 2.500 6.000 3.533 2.971 4.146 . 0 0 "[ . 1 . 2]" 1
304 1 35 GLN QE 1 40 LEU HB2 3.500 . 4.500 3.893 2.588 4.495 . 0 0 "[ . 1 . 2]" 1
305 1 35 GLN QE 1 40 LEU QD 3.500 . 4.500 3.089 2.373 3.723 . 0 0 "[ . 1 . 2]" 1
306 1 35 GLN HA 1 48 TRP HZ2 3.500 . 4.500 3.431 2.569 3.925 . 0 0 "[ . 1 . 2]" 1
307 1 35 GLN QB 1 48 TRP HZ2 2.500 . 3.500 2.268 1.967 3.261 . 0 0 "[ . 1 . 2]" 1
308 1 35 GLN QG 1 48 TRP HZ2 5.000 2.500 6.000 3.089 2.493 3.805 0.007 17 0 "[ . 1 . 2]" 1
309 1 35 GLN H 1 48 TRP HZ2 3.500 . 4.500 3.806 2.829 4.454 . 0 0 "[ . 1 . 2]" 1
310 1 35 GLN QE 1 70 TYR QE 5.000 2.500 6.000 3.187 2.499 4.064 0.001 15 0 "[ . 1 . 2]" 1
311 1 35 GLN QE 1 70 TYR HH 3.500 . 4.500 3.601 2.462 4.502 0.002 7 0 "[ . 1 . 2]" 1
312 1 35 GLN QG 1 70 TYR QE 5.000 2.500 6.000 3.694 2.526 5.044 . 0 0 "[ . 1 . 2]" 1
313 1 35 GLN QG 1 70 TYR HH 3.500 . 4.500 3.319 2.147 4.506 0.006 14 0 "[ . 1 . 2]" 1
314 1 36 ARG HA 1 37 LYS H 3.500 . 4.500 3.464 2.658 3.571 . 0 0 "[ . 1 . 2]" 1
315 1 36 ARG QB 1 37 LYS H 3.500 . 4.500 2.739 1.998 3.921 0.002 10 0 "[ . 1 . 2]" 1
316 1 36 ARG H 1 37 LYS H 3.500 . 4.500 2.627 2.290 3.333 . 0 0 "[ . 1 . 2]" 1
317 1 36 ARG HA 1 38 TYR H 3.500 . 4.500 4.286 3.670 4.512 0.012 9 0 "[ . 1 . 2]" 1
318 1 37 LYS HA 1 38 TYR H 3.500 . 4.500 3.059 2.590 3.548 . 0 0 "[ . 1 . 2]" 1
319 1 37 LYS QB 1 38 TYR H 3.500 . 4.500 3.521 2.551 4.047 . 0 0 "[ . 1 . 2]" 1
320 1 37 LYS H 1 38 TYR QD 3.500 . 4.500 3.447 2.527 4.439 . 0 0 "[ . 1 . 2]" 1
321 1 37 LYS H 1 38 TYR QE 5.000 2.500 6.000 4.998 3.841 6.002 0.002 4 0 "[ . 1 . 2]" 1
322 1 37 LYS H 1 38 TYR H 2.500 . 3.500 2.588 1.951 3.192 . 0 0 "[ . 1 . 2]" 1
323 1 38 TYR HA 1 39 PRO HD3 2.500 . 3.500 2.260 1.924 2.554 . 0 0 "[ . 1 . 2]" 1
324 1 38 TYR HA 1 39 PRO HD2 2.500 . 3.500 2.346 1.968 2.739 . 0 0 "[ . 1 . 2]" 1
325 1 38 TYR H 1 39 PRO QD 3.500 . 4.500 4.160 3.528 4.414 . 0 0 "[ . 1 . 2]" 1
326 1 38 TYR QD 1 44 THR HB 3.500 . 4.500 4.339 3.872 4.509 0.009 9 0 "[ . 1 . 2]" 1
327 1 38 TYR QD 1 44 THR MG 2.500 . 3.500 2.673 2.006 3.512 0.012 16 0 "[ . 1 . 2]" 1
328 1 38 TYR QE 1 44 THR MG 3.500 . 4.500 2.611 1.999 3.486 0.001 6 0 "[ . 1 . 2]" 1
329 1 38 TYR QD 1 47 PRO QB 5.000 2.500 6.000 4.227 3.285 4.768 . 0 0 "[ . 1 . 2]" 1
330 1 38 TYR QE 1 47 PRO HB3 5.000 2.500 6.000 3.742 2.702 4.367 . 0 0 "[ . 1 . 2]" 1
331 1 38 TYR QE 1 47 PRO HB2 5.000 2.500 6.000 4.562 3.731 5.188 . 0 0 "[ . 1 . 2]" 1
332 1 38 TYR QE 1 48 TRP HD1 5.000 2.500 6.000 5.722 4.440 6.004 0.004 19 0 "[ . 1 . 2]" 1
333 1 38 TYR QE 1 48 TRP HE1 5.000 2.500 6.000 5.094 4.209 5.640 . 0 0 "[ . 1 . 2]" 1
334 1 38 TYR HA 1 70 TYR HH 5.000 2.500 6.000 5.423 4.609 6.006 0.006 14 0 "[ . 1 . 2]" 1
335 1 38 TYR HB3 1 70 TYR HH 3.500 . 4.500 3.560 2.545 4.503 0.003 4 0 "[ . 1 . 2]" 1
336 1 38 TYR HB2 1 70 TYR HH 3.500 . 4.500 3.870 3.324 4.338 . 0 0 "[ . 1 . 2]" 1
337 1 38 TYR H 1 70 TYR HH 5.000 2.500 6.000 5.310 4.927 5.683 . 0 0 "[ . 1 . 2]" 1
338 1 39 PRO HA 1 40 LEU HA 5.000 2.500 6.000 4.405 4.317 4.505 . 0 0 "[ . 1 . 2]" 1
339 1 39 PRO HA 1 40 LEU H 2.500 . 3.500 2.530 2.233 2.844 . 0 0 "[ . 1 . 2]" 1
340 1 39 PRO QB 1 40 LEU H 3.500 . 4.500 2.389 1.989 2.951 0.011 17 0 "[ . 1 . 2]" 1
341 1 39 PRO QG 1 40 LEU H 3.500 . 4.500 4.137 3.747 4.453 . 0 0 "[ . 1 . 2]" 1
342 1 39 PRO QB 1 41 GLU H 3.500 . 4.500 3.192 2.801 3.681 . 0 0 "[ . 1 . 2]" 1
343 1 39 PRO QB 1 42 LYS H 3.500 . 4.500 2.692 2.302 3.266 . 0 0 "[ . 1 . 2]" 1
344 1 40 LEU HA 1 41 GLU H 3.500 . 4.500 3.539 3.487 3.569 . 0 0 "[ . 1 . 2]" 1
345 1 40 LEU HB3 1 41 GLU H 3.500 . 4.500 2.552 2.170 2.880 . 0 0 "[ . 1 . 2]" 1
346 1 40 LEU QD 1 41 GLU H 5.000 2.500 6.000 3.212 2.849 3.785 . 0 0 "[ . 1 . 2]" 1
347 1 40 LEU MD1 1 41 GLU H 5.000 2.500 6.000 4.560 2.933 4.990 . 0 0 "[ . 1 . 2]" 1
348 1 40 LEU MD2 1 41 GLU H 5.000 2.500 6.000 3.441 2.876 4.416 . 0 0 "[ . 1 . 2]" 1
349 1 40 LEU HG 1 41 GLU H 3.500 . 4.500 4.315 3.518 4.536 0.036 13 0 "[ . 1 . 2]" 1
350 1 40 LEU H 1 41 GLU H 3.500 . 4.500 2.222 1.995 2.621 0.005 10 0 "[ . 1 . 2]" 1
351 1 40 LEU H 1 42 LYS H 3.500 . 4.500 3.448 2.840 4.253 . 0 0 "[ . 1 . 2]" 1
352 1 40 LEU HA 1 42 LYS H 3.500 . 4.500 3.754 3.617 3.934 . 0 0 "[ . 1 . 2]" 1
353 1 40 LEU HA 1 43 GLY H 5.000 2.500 6.000 4.301 3.694 5.443 . 0 0 "[ . 1 . 2]" 1
354 1 40 LEU QD 1 43 GLY H 5.000 2.500 6.000 5.366 4.656 5.904 . 0 0 "[ . 1 . 2]" 1
355 1 40 LEU HA 1 70 TYR QE 3.500 . 4.500 2.535 1.993 3.092 0.007 8 0 "[ . 1 . 2]" 1
356 1 40 LEU HA 1 70 TYR HH 5.000 2.500 6.000 3.036 2.495 3.580 0.005 4 0 "[ . 1 . 2]" 1
357 1 40 LEU HB2 1 70 TYR QE 5.000 2.500 6.000 3.815 3.190 5.124 . 0 0 "[ . 1 . 2]" 1
358 1 40 LEU HB2 1 70 TYR HH 5.000 2.500 6.000 4.710 3.894 5.614 . 0 0 "[ . 1 . 2]" 1
359 1 40 LEU MD1 1 70 TYR QE 3.500 . 4.500 2.965 1.998 4.093 0.002 12 0 "[ . 1 . 2]" 1
360 1 40 LEU MD1 1 70 TYR HH 5.000 2.500 6.000 4.807 3.683 5.962 . 0 0 "[ . 1 . 2]" 1
361 1 40 LEU MD2 1 70 TYR QE 3.500 . 4.500 4.005 2.144 4.505 0.005 6 0 "[ . 1 . 2]" 1
362 1 40 LEU MD2 1 70 TYR HH 5.000 2.500 6.000 5.615 3.713 6.005 0.005 8 0 "[ . 1 . 2]" 1
363 1 40 LEU QD 1 71 ARG HA 2.500 . 3.500 2.117 1.827 2.577 . 0 0 "[ . 1 . 2]" 1
364 1 40 LEU QD 1 71 ARG H 5.000 2.500 6.000 4.277 4.016 4.566 . 0 0 "[ . 1 . 2]" 1
365 1 40 LEU HG 1 71 ARG HA 3.500 . 4.500 3.236 2.514 4.504 0.004 17 0 "[ . 1 . 2]" 1
366 1 40 LEU MD1 1 72 LYS H 3.500 . 4.500 3.976 2.575 4.502 0.002 10 0 "[ . 1 . 2]" 1
367 1 40 LEU MD2 1 72 LYS H 3.500 . 4.500 3.329 2.361 4.389 . 0 0 "[ . 1 . 2]" 1
368 1 41 GLU HA 1 42 LYS H 3.500 . 4.500 3.214 2.866 3.414 . 0 0 "[ . 1 . 2]" 1
369 1 41 GLU QB 1 42 LYS H 3.500 . 4.500 3.548 3.124 4.055 . 0 0 "[ . 1 . 2]" 1
370 1 41 GLU QG 1 42 LYS H 5.000 2.500 6.000 4.261 3.092 4.742 . 0 0 "[ . 1 . 2]" 1
371 1 41 GLU H 1 42 LYS H 3.500 . 4.500 2.658 2.421 3.075 . 0 0 "[ . 1 . 2]" 1
372 1 41 GLU H 1 43 GLY H 5.000 2.500 6.000 4.959 4.479 5.888 . 0 0 "[ . 1 . 2]" 1
373 1 42 LYS HA 1 43 GLY H 3.500 . 4.500 3.569 3.549 3.580 . 0 0 "[ . 1 . 2]" 1
374 1 42 LYS HB3 1 43 GLY H 3.500 . 4.500 2.957 2.286 3.579 . 0 0 "[ . 1 . 2]" 1
375 1 42 LYS HB2 1 43 GLY H 2.500 . 3.500 2.571 2.315 2.835 . 0 0 "[ . 1 . 2]" 1
376 1 42 LYS QG 1 43 GLY H 3.500 . 4.500 4.191 4.021 4.496 . 0 0 "[ . 1 . 2]" 1
377 1 42 LYS H 1 43 GLY QA 5.000 2.500 6.000 4.226 4.162 4.310 . 0 0 "[ . 1 . 2]" 1
378 1 42 LYS H 1 43 GLY H 2.500 . 3.500 2.540 2.342 2.824 . 0 0 "[ . 1 . 2]" 1
379 1 42 LYS H 1 44 THR H 5.000 2.500 6.000 5.797 5.475 6.003 0.003 19 0 "[ . 1 . 2]" 1
380 1 43 GLY H 1 44 THR H 2.500 . 3.500 3.318 2.693 3.519 0.019 19 0 "[ . 1 . 2]" 1
381 1 43 GLY QA 1 44 THR HA 5.000 2.500 6.000 4.047 4.034 4.072 . 0 0 "[ . 1 . 2]" 1
382 1 43 GLY QA 1 44 THR H 3.500 . 4.500 2.232 2.136 2.428 . 0 0 "[ . 1 . 2]" 1
383 1 43 GLY QA 1 70 TYR H 2.000 . 2.800 2.470 1.887 2.813 0.013 10 0 "[ . 1 . 2]" 1
384 1 44 THR HA 1 45 PRO QD 2.000 . 2.800 1.920 1.892 1.980 . 0 0 "[ . 1 . 2]" 1
385 1 44 THR HA 1 45 PRO HD3 2.000 . 2.800 2.064 1.961 2.589 . 0 0 "[ . 1 . 2]" 1
386 1 44 THR HA 1 45 PRO HD2 2.000 . 2.800 2.409 1.968 2.511 . 0 0 "[ . 1 . 2]" 1
387 1 44 THR HB 1 45 PRO QD 5.000 2.500 6.000 3.715 3.487 4.097 . 0 0 "[ . 1 . 2]" 1
388 1 44 THR MG 1 45 PRO QD 2.500 . 3.500 3.182 2.514 3.515 0.015 10 0 "[ . 1 . 2]" 1
389 1 44 THR MG 1 45 PRO HD3 3.500 . 4.500 3.754 3.482 4.399 . 0 0 "[ . 1 . 2]" 1
390 1 44 THR MG 1 45 PRO HD2 3.500 . 4.500 3.483 2.579 3.989 . 0 0 "[ . 1 . 2]" 1
391 1 44 THR H 1 45 PRO QD 5.000 2.500 6.000 4.028 3.928 4.110 . 0 0 "[ . 1 . 2]" 1
392 1 44 THR MG 1 47 PRO QG 3.500 . 4.500 2.595 1.992 3.115 0.008 1 0 "[ . 1 . 2]" 1
393 1 47 PRO HA 1 48 TRP HD1 5.000 2.500 6.000 3.481 3.283 3.668 . 0 0 "[ . 1 . 2]" 1
394 1 47 PRO HA 1 48 TRP HE1 5.000 2.500 6.000 5.455 5.072 5.790 . 0 0 "[ . 1 . 2]" 1
395 1 47 PRO HA 1 48 TRP H 5.000 2.500 6.000 3.610 3.601 3.618 . 0 0 "[ . 1 . 2]" 1
396 1 47 PRO QB 1 48 TRP HD1 5.000 2.500 6.000 2.456 2.441 2.474 0.059 16 0 "[ . 1 . 2]" 1
397 1 47 PRO QB 1 48 TRP HE1 5.000 2.500 6.000 3.257 2.985 3.489 . 0 0 "[ . 1 . 2]" 1
398 1 47 PRO QB 1 48 TRP HE3 5.000 2.500 6.000 5.659 5.424 5.850 . 0 0 "[ . 1 . 2]" 1
399 1 47 PRO QB 1 48 TRP H 3.500 . 4.500 2.001 1.967 2.076 0.033 15 0 "[ . 1 . 2]" 1
400 1 47 PRO QB 1 48 TRP HZ2 5.000 2.500 6.000 5.242 4.884 5.553 . 0 0 "[ . 1 . 2]" 1
401 1 47 PRO HB3 1 48 TRP H 3.500 . 4.500 3.519 3.481 3.571 . 0 0 "[ . 1 . 2]" 1
402 1 47 PRO HB2 1 48 TRP H 3.500 . 4.500 2.012 1.977 2.090 0.023 15 0 "[ . 1 . 2]" 1
403 1 47 PRO QB 1 49 TRP H 5.000 2.500 6.000 4.865 4.761 5.005 . 0 0 "[ . 1 . 2]" 1
404 1 48 TRP HA 1 49 TRP H 5.000 2.500 6.000 2.426 2.396 2.446 0.104 12 0 "[ . 1 . 2]" 1
405 1 48 TRP HD1 1 49 TRP H 5.000 2.500 6.000 5.891 5.834 5.955 . 0 0 "[ . 1 . 2]" 1
406 1 48 TRP HE3 1 49 TRP HA 3.500 . 4.500 4.153 4.052 4.221 . 0 0 "[ . 1 . 2]" 1
407 1 48 TRP HE3 1 49 TRP H 5.000 2.500 6.000 5.227 5.169 5.278 . 0 0 "[ . 1 . 2]" 1
408 1 48 TRP H 1 49 TRP HA 5.000 2.500 6.000 4.808 4.758 4.875 . 0 0 "[ . 1 . 2]" 1
409 1 48 TRP H 1 49 TRP H 3.500 . 4.500 3.027 2.925 3.148 . 0 0 "[ . 1 . 2]" 1
410 1 48 TRP HZ3 1 49 TRP HZ3 3.500 . 4.500 2.692 2.165 3.360 . 0 0 "[ . 1 . 2]" 1
411 1 48 TRP HE3 1 50 PRO QD 5.000 2.500 6.000 5.020 4.820 5.167 . 0 0 "[ . 1 . 2]" 1
412 1 48 TRP HZ3 1 84 VAL MG1 3.500 . 4.500 3.831 3.537 4.176 . 0 0 "[ . 1 . 2]" 1
413 1 48 TRP HE3 1 87 ALA MB 3.500 . 4.500 4.486 4.207 4.516 0.016 15 0 "[ . 1 . 2]" 1
414 1 48 TRP QB 1 88 VAL HA 3.500 . 4.500 3.309 3.021 3.664 . 0 0 "[ . 1 . 2]" 1
415 1 48 TRP HE3 1 88 VAL MG1 5.000 2.500 6.000 3.869 3.668 4.044 . 0 0 "[ . 1 . 2]" 1
416 1 48 TRP HE3 1 88 VAL MG2 2.500 . 3.500 3.009 2.830 3.211 . 0 0 "[ . 1 . 2]" 1
417 1 48 TRP HE3 1 88 VAL H 5.000 2.500 6.000 5.251 4.944 5.520 . 0 0 "[ . 1 . 2]" 1
418 1 48 TRP HH2 1 88 VAL MG1 5.000 2.500 6.000 5.757 5.515 5.870 . 0 0 "[ . 1 . 2]" 1
419 1 48 TRP HZ3 1 88 VAL HA 5.000 2.500 6.000 5.772 5.531 5.941 . 0 0 "[ . 1 . 2]" 1
420 1 48 TRP HZ3 1 88 VAL MG1 3.500 . 4.500 4.503 4.474 4.513 0.013 8 0 "[ . 1 . 2]" 1
421 1 48 TRP HZ3 1 88 VAL MG2 2.500 . 3.500 3.483 3.341 3.513 0.013 19 0 "[ . 1 . 2]" 1
422 1 48 TRP QB 1 91 HIS HB2 3.500 . 4.500 3.095 2.775 3.451 . 0 0 "[ . 1 . 2]" 1
423 1 49 TRP HA 1 50 PRO HD3 2.500 . 3.500 2.421 1.950 2.612 . 0 0 "[ . 1 . 2]" 1
424 1 49 TRP HA 1 50 PRO HD2 2.500 . 3.500 2.173 1.966 2.674 . 0 0 "[ . 1 . 2]" 1
425 1 49 TRP HA 1 50 PRO QG 5.000 2.500 6.000 3.862 3.810 3.918 . 0 0 "[ . 1 . 2]" 1
426 1 49 TRP HD1 1 50 PRO HD3 5.000 2.500 6.000 5.178 4.428 5.724 . 0 0 "[ . 1 . 2]" 1
427 1 49 TRP HD1 1 50 PRO HD2 5.000 2.500 6.000 3.598 2.918 4.208 . 0 0 "[ . 1 . 2]" 1
428 1 49 TRP HD1 1 50 PRO QG 3.500 . 4.500 3.996 3.483 4.531 0.031 19 0 "[ . 1 . 2]" 1
429 1 49 TRP HE1 1 50 PRO QG 5.000 2.500 6.000 3.843 3.396 4.414 . 0 0 "[ . 1 . 2]" 1
430 1 49 TRP HE3 1 50 PRO QD 3.500 . 4.500 3.229 2.781 3.683 . 0 0 "[ . 1 . 2]" 1
431 1 49 TRP HE1 1 57 TRP HH2 5.000 2.500 6.000 5.201 4.368 5.812 . 0 0 "[ . 1 . 2]" 1
432 1 49 TRP HD1 1 67 SER HA 5.000 2.500 6.000 5.417 4.543 6.004 0.004 17 0 "[ . 1 . 2]" 1
433 1 49 TRP HD1 1 67 SER HB3 5.000 2.500 6.000 4.113 3.295 4.852 . 0 0 "[ . 1 . 2]" 1
434 1 49 TRP HD1 1 67 SER HB2 5.000 2.500 6.000 5.033 4.210 5.695 . 0 0 "[ . 1 . 2]" 1
435 1 49 TRP HD1 1 68 PRO QD 3.500 . 4.500 5.191 4.354 5.750 1.250 17 15 "[*-**** **** *.*+ **]" 1
436 1 49 TRP HD1 1 68 PRO QG 5.000 2.500 6.000 5.955 5.748 6.016 0.016 6 0 "[ . 1 . 2]" 1
437 1 49 TRP HE1 1 68 PRO QB 5.000 2.500 6.000 4.813 4.564 5.218 . 0 0 "[ . 1 . 2]" 1
438 1 49 TRP HE1 1 68 PRO QD 3.500 . 4.500 3.797 2.784 4.441 . 0 0 "[ . 1 . 2]" 1
439 1 49 TRP HE1 1 68 PRO QG 3.500 . 4.500 4.007 3.702 4.286 . 0 0 "[ . 1 . 2]" 1
440 1 49 TRP HE1 1 69 PRO HA 5.000 2.500 6.000 3.555 2.968 4.155 . 0 0 "[ . 1 . 2]" 1
441 1 49 TRP HD1 1 70 TYR H 5.000 2.500 6.000 5.318 4.530 6.004 0.004 2 0 "[ . 1 . 2]" 1
442 1 49 TRP HE1 1 70 TYR HA 5.000 2.500 6.000 4.196 3.685 4.548 . 0 0 "[ . 1 . 2]" 1
443 1 49 TRP HE1 1 70 TYR H 5.000 2.500 6.000 4.341 3.864 4.881 . 0 0 "[ . 1 . 2]" 1
444 1 49 TRP HE3 1 70 TYR QE 5.000 2.500 6.000 5.616 5.174 6.012 0.012 15 0 "[ . 1 . 2]" 1
445 1 49 TRP HZ2 1 70 TYR HA 2.500 . 3.500 2.621 2.236 2.830 . 0 0 "[ . 1 . 2]" 1
446 1 49 TRP HZ2 1 70 TYR QB 3.500 . 4.500 2.821 2.621 3.125 . 0 0 "[ . 1 . 2]" 1
447 1 49 TRP HZ3 1 70 TYR QE 5.000 2.500 6.000 5.930 5.359 6.021 0.021 16 0 "[ . 1 . 2]" 1
448 1 49 TRP HZ2 1 71 ARG H 3.500 . 4.500 4.285 3.709 4.517 0.017 11 0 "[ . 1 . 2]" 1
449 1 49 TRP HH2 1 76 LEU QD 2.500 . 3.500 2.980 2.629 3.309 . 0 0 "[ . 1 . 2]" 1
450 1 49 TRP HZ2 1 76 LEU MD1 3.500 . 4.500 4.160 3.337 4.493 . 0 0 "[ . 1 . 2]" 1
451 1 49 TRP HZ2 1 76 LEU MD2 3.500 . 4.500 3.609 2.864 4.339 . 0 0 "[ . 1 . 2]" 1
452 1 49 TRP HE1 1 80 TRP HH2 3.500 . 4.500 2.924 2.549 3.403 . 0 0 "[ . 1 . 2]" 1
453 1 49 TRP HE1 1 80 TRP HZ3 5.000 2.500 6.000 3.710 2.930 4.152 . 0 0 "[ . 1 . 2]" 1
454 1 49 TRP HE1 1 84 VAL MG2 5.000 2.500 6.000 4.818 4.303 5.226 . 0 0 "[ . 1 . 2]" 1
455 1 49 TRP HE3 1 84 VAL MG1 3.500 . 4.500 3.428 3.266 3.623 . 0 0 "[ . 1 . 2]" 1
456 1 49 TRP HE3 1 84 VAL MG2 5.000 2.500 6.000 4.977 4.668 5.286 . 0 0 "[ . 1 . 2]" 1
457 1 49 TRP HH2 1 84 VAL MG1 3.500 . 4.500 2.078 1.989 2.576 0.011 5 0 "[ . 1 . 2]" 1
458 1 49 TRP HH2 1 84 VAL MG2 3.500 . 4.500 2.434 2.124 2.959 . 0 0 "[ . 1 . 2]" 1
459 1 49 TRP HZ2 1 84 VAL MG2 3.500 . 4.500 3.049 2.595 3.375 . 0 0 "[ . 1 . 2]" 1
460 1 49 TRP HZ3 1 84 VAL MG1 2.500 . 3.500 2.097 1.841 2.404 . 0 0 "[ . 1 . 2]" 1
461 1 49 TRP HA 1 87 ALA MB 5.000 2.500 6.000 3.186 2.786 3.488 . 0 0 "[ . 1 . 2]" 1
462 1 49 TRP HE3 1 88 VAL MG2 3.500 . 4.500 4.223 3.949 4.422 . 0 0 "[ . 1 . 2]" 1
463 1 50 PRO HA 1 51 THR MG 3.500 . 4.500 3.736 3.313 4.502 0.002 1 0 "[ . 1 . 2]" 1
464 1 50 PRO HA 1 51 THR H 2.500 . 3.500 2.252 2.166 2.434 . 0 0 "[ . 1 . 2]" 1
465 1 50 PRO QB 1 51 THR H 3.500 . 4.500 2.916 2.560 3.168 . 0 0 "[ . 1 . 2]" 1
466 1 50 PRO HB3 1 51 THR H 3.500 . 4.500 3.441 2.746 3.763 . 0 0 "[ . 1 . 2]" 1
467 1 50 PRO HB2 1 51 THR H 3.500 . 4.500 3.198 2.905 3.648 . 0 0 "[ . 1 . 2]" 1
468 1 50 PRO HA 1 52 GLY H 5.000 2.500 6.000 4.078 3.822 4.420 . 0 0 "[ . 1 . 2]" 1
469 1 50 PRO QB 1 52 GLY H 5.000 2.500 6.000 3.428 2.930 3.811 . 0 0 "[ . 1 . 2]" 1
470 1 50 PRO HA 1 56 TRP HH2 5.000 2.500 6.000 4.019 3.157 4.954 . 0 0 "[ . 1 . 2]" 1
471 1 50 PRO HA 1 56 TRP HZ2 5.000 2.500 6.000 3.734 2.880 4.527 . 0 0 "[ . 1 . 2]" 1
472 1 50 PRO QB 1 56 TRP HZ2 3.500 . 4.500 3.355 2.644 4.248 . 0 0 "[ . 1 . 2]" 1
473 1 50 PRO QG 1 56 TRP HH2 3.500 . 4.500 2.883 2.000 3.463 . 0 0 "[ . 1 . 2]" 1
474 1 50 PRO QB 1 57 TRP HE3 5.000 2.500 6.000 2.947 2.564 3.517 . 0 0 "[ . 1 . 2]" 1
475 1 50 PRO QB 1 57 TRP HH2 5.000 2.500 6.000 3.619 3.031 4.109 . 0 0 "[ . 1 . 2]" 1
476 1 50 PRO HB3 1 57 TRP HZ3 3.500 . 4.500 3.178 2.636 3.780 . 0 0 "[ . 1 . 2]" 1
477 1 50 PRO HB2 1 57 TRP HZ3 3.500 . 4.500 3.351 2.777 3.966 . 0 0 "[ . 1 . 2]" 1
478 1 50 PRO QG 1 57 TRP HZ3 3.500 . 4.500 2.195 1.999 2.826 0.001 18 0 "[ . 1 . 2]" 1
479 1 50 PRO QG 1 80 TRP HH2 3.500 . 4.500 3.834 3.228 4.503 0.003 19 0 "[ . 1 . 2]" 1
480 1 50 PRO QD 1 84 VAL HA 3.500 . 4.500 3.393 3.107 3.679 . 0 0 "[ . 1 . 2]" 1
481 1 50 PRO QD 1 84 VAL MG1 3.500 . 4.500 3.467 3.063 3.912 . 0 0 "[ . 1 . 2]" 1
482 1 50 PRO HD3 1 84 VAL MG2 3.500 . 4.500 4.481 4.224 4.511 0.011 4 0 "[ . 1 . 2]" 1
483 1 50 PRO HD2 1 84 VAL MG2 3.500 . 4.500 4.214 4.045 4.325 . 0 0 "[ . 1 . 2]" 1
484 1 50 PRO QG 1 84 VAL HA 5.000 2.500 6.000 3.252 2.679 3.724 . 0 0 "[ . 1 . 2]" 1
485 1 50 PRO HA 1 87 ALA MB 3.500 . 4.500 3.509 3.117 3.981 . 0 0 "[ . 1 . 2]" 1
486 1 50 PRO QB 1 87 ALA MB 2.500 . 3.500 3.188 2.621 3.514 0.014 19 0 "[ . 1 . 2]" 1
487 1 50 PRO QD 1 87 ALA MB 3.500 . 4.500 2.021 1.984 2.151 0.016 1 0 "[ . 1 . 2]" 1
488 1 51 THR HA 1 52 GLY H 3.500 . 4.500 3.504 3.094 3.565 . 0 0 "[ . 1 . 2]" 1
489 1 51 THR HB 1 52 GLY H 3.500 . 4.500 3.727 3.263 4.156 . 0 0 "[ . 1 . 2]" 1
490 1 51 THR MG 1 52 GLY H 3.500 . 4.500 3.707 2.000 4.470 0.000 18 0 "[ . 1 . 2]" 1
491 1 51 THR H 1 52 GLY QA 5.000 2.500 6.000 4.067 3.857 4.232 . 0 0 "[ . 1 . 2]" 1
492 1 51 THR H 1 52 GLY H 2.500 . 3.500 2.139 1.963 2.376 . 0 0 "[ . 1 . 2]" 1
493 1 51 THR HB 1 53 ASN QD 3.500 . 4.500 3.809 2.604 4.502 0.002 9 0 "[ . 1 . 2]" 1
494 1 51 THR HB 1 53 ASN H 5.000 2.500 6.000 4.485 3.234 5.999 . 0 0 "[ . 1 . 2]" 1
495 1 51 THR H 1 53 ASN H 5.000 2.500 6.000 3.905 3.343 4.207 . 0 0 "[ . 1 . 2]" 1
496 1 52 GLY HA3 1 53 ASN H 5.000 2.500 6.000 3.393 2.985 3.570 . 0 0 "[ . 1 . 2]" 1
497 1 52 GLY HA2 1 53 ASN H 5.000 2.500 6.000 2.971 2.550 3.482 . 0 0 "[ . 1 . 2]" 1
498 1 52 GLY H 1 53 ASN H 2.500 . 3.500 2.258 1.983 2.856 . 0 0 "[ . 1 . 2]" 1
499 1 52 GLY QA 1 54 GLU H 5.000 2.500 6.000 3.858 3.591 4.263 . 0 0 "[ . 1 . 2]" 1
500 1 52 GLY H 1 54 GLU H 3.500 . 4.500 4.076 3.595 4.500 0.000 1 0 "[ . 1 . 2]" 1
501 1 52 GLY QA 1 57 TRP HD1 3.500 . 4.500 2.995 2.603 3.601 . 0 0 "[ . 1 . 2]" 1
502 1 52 GLY QA 1 57 TRP HE1 3.500 . 4.500 2.907 2.490 3.429 . 0 0 "[ . 1 . 2]" 1
503 1 52 GLY QA 1 57 TRP HE3 5.000 2.500 6.000 5.032 4.464 5.469 . 0 0 "[ . 1 . 2]" 1
504 1 52 GLY QA 1 57 TRP HZ2 3.500 . 4.500 4.208 3.822 4.505 0.005 17 0 "[ . 1 . 2]" 1
505 1 53 ASN HA 1 54 GLU H 3.500 . 4.500 2.722 2.488 2.914 . 0 0 "[ . 1 . 2]" 1
506 1 53 ASN HB3 1 54 GLU H 5.000 2.500 6.000 4.641 4.605 4.659 . 0 0 "[ . 1 . 2]" 1
507 1 53 ASN HB2 1 54 GLU H 5.000 2.500 6.000 4.408 4.307 4.474 . 0 0 "[ . 1 . 2]" 1
508 1 53 ASN H 1 54 GLU H 2.500 . 3.500 2.571 1.998 3.507 0.007 16 0 "[ . 1 . 2]" 1
509 1 53 ASN HA 1 57 TRP HD1 5.000 2.500 6.000 4.471 3.722 5.227 . 0 0 "[ . 1 . 2]" 1
510 1 53 ASN H 1 57 TRP HD1 5.000 2.500 6.000 4.570 3.765 5.602 . 0 0 "[ . 1 . 2]" 1
511 1 53 ASN HA 1 64 LYS QG 5.000 2.500 6.000 3.104 2.644 4.483 . 0 0 "[ . 1 . 2]" 1
512 1 54 GLU HA 1 55 GLU HA 3.500 . 4.500 4.306 4.296 4.323 . 0 0 "[ . 1 . 2]" 1
513 1 54 GLU HA 1 55 GLU H 3.500 . 4.500 2.279 2.201 2.386 . 0 0 "[ . 1 . 2]" 1
514 1 54 GLU QB 1 55 GLU H 3.500 . 4.500 2.776 2.570 3.138 . 0 0 "[ . 1 . 2]" 1
515 1 54 GLU QG 1 55 GLU H 5.000 2.500 6.000 3.991 2.728 4.481 . 0 0 "[ . 1 . 2]" 1
516 1 54 GLU H 1 55 GLU H 5.000 2.500 6.000 4.488 4.363 4.569 . 0 0 "[ . 1 . 2]" 1
517 1 54 GLU HA 1 56 TRP H 5.000 2.500 6.000 4.182 3.875 4.517 . 0 0 "[ . 1 . 2]" 1
518 1 54 GLU QB 1 56 TRP HD1 3.500 . 4.500 2.784 2.537 3.280 . 0 0 "[ . 1 . 2]" 1
519 1 54 GLU QB 1 56 TRP HE1 3.500 . 4.500 2.492 2.260 3.002 . 0 0 "[ . 1 . 2]" 1
520 1 54 GLU QB 1 56 TRP H 3.500 . 4.500 2.671 2.235 3.022 . 0 0 "[ . 1 . 2]" 1
521 1 54 GLU QB 1 56 TRP HZ2 3.500 . 4.500 3.694 3.469 3.908 . 0 0 "[ . 1 . 2]" 1
522 1 54 GLU HB3 1 56 TRP HE1 3.500 . 4.500 2.558 2.287 3.150 . 0 0 "[ . 1 . 2]" 1
523 1 54 GLU HB2 1 56 TRP HE1 3.500 . 4.500 3.512 3.068 3.881 . 0 0 "[ . 1 . 2]" 1
524 1 54 GLU QG 1 56 TRP HE1 3.500 . 4.500 2.644 1.997 3.593 0.003 18 0 "[ . 1 . 2]" 1
525 1 54 GLU H 1 56 TRP HE1 5.000 2.500 6.000 5.856 5.569 6.004 0.004 13 0 "[ . 1 . 2]" 1
526 1 54 GLU H 1 56 TRP H 5.000 2.500 6.000 5.202 4.798 5.593 . 0 0 "[ . 1 . 2]" 1
527 1 54 GLU HA 1 57 TRP HB2 5.000 2.500 6.000 4.865 4.613 5.178 . 0 0 "[ . 1 . 2]" 1
528 1 54 GLU HA 1 57 TRP H 5.000 2.500 6.000 4.335 4.221 4.444 . 0 0 "[ . 1 . 2]" 1
529 1 54 GLU QB 1 57 TRP H 3.500 . 4.500 2.299 2.064 2.567 . 0 0 "[ . 1 . 2]" 1
530 1 54 GLU H 1 57 TRP HB3 3.500 . 4.500 2.273 1.998 2.701 0.002 6 0 "[ . 1 . 2]" 1
531 1 54 GLU H 1 57 TRP HB2 3.500 . 4.500 3.183 2.770 3.708 . 0 0 "[ . 1 . 2]" 1
532 1 54 GLU H 1 57 TRP HD1 5.000 2.500 6.000 3.739 3.402 4.031 . 0 0 "[ . 1 . 2]" 1
533 1 54 GLU H 1 57 TRP H 5.000 2.500 6.000 3.832 3.609 4.200 . 0 0 "[ . 1 . 2]" 1
534 1 54 GLU H 1 58 VAL H 5.000 2.500 6.000 4.172 3.553 4.628 . 0 0 "[ . 1 . 2]" 1
535 1 55 GLU HA 1 56 TRP H 3.500 . 4.500 3.515 3.435 3.562 . 0 0 "[ . 1 . 2]" 1
536 1 55 GLU QB 1 56 TRP HD1 5.000 2.500 6.000 3.695 3.366 4.619 . 0 0 "[ . 1 . 2]" 1
537 1 55 GLU QB 1 56 TRP H 3.500 . 4.500 2.762 2.346 3.675 . 0 0 "[ . 1 . 2]" 1
538 1 55 GLU QG 1 56 TRP H 5.000 2.500 6.000 4.011 2.490 4.581 0.010 2 0 "[ . 1 . 2]" 1
539 1 55 GLU H 1 56 TRP H 3.500 . 4.500 2.708 2.585 2.805 . 0 0 "[ . 1 . 2]" 1
540 1 55 GLU HA 1 58 VAL HB 3.500 . 4.500 3.844 3.410 4.541 0.041 8 0 "[ . 1 . 2]" 1
541 1 55 GLU HA 1 58 VAL QG 3.500 . 4.500 3.041 1.952 3.685 0.048 8 0 "[ . 1 . 2]" 1
542 1 55 GLU HA 1 59 LYS H 5.000 2.500 6.000 4.352 3.941 4.969 . 0 0 "[ . 1 . 2]" 1
543 1 56 TRP HA 1 57 TRP H 3.500 . 4.500 3.477 3.448 3.494 . 0 0 "[ . 1 . 2]" 1
544 1 56 TRP HE1 1 57 TRP H 5.000 2.500 6.000 4.615 4.442 4.818 . 0 0 "[ . 1 . 2]" 1
545 1 56 TRP HE3 1 57 TRP HA 2.500 . 3.500 3.132 2.854 3.357 . 0 0 "[ . 1 . 2]" 1
546 1 56 TRP HE3 1 57 TRP H 3.500 . 4.500 3.976 3.603 4.256 . 0 0 "[ . 1 . 2]" 1
547 1 56 TRP HH2 1 57 TRP HE3 3.500 . 4.500 2.857 2.561 3.079 . 0 0 "[ . 1 . 2]" 1
548 1 56 TRP HH2 1 57 TRP HZ3 3.500 . 4.500 3.309 2.784 3.765 . 0 0 "[ . 1 . 2]" 1
549 1 56 TRP H 1 57 TRP H 2.500 . 3.500 2.407 2.157 2.549 . 0 0 "[ . 1 . 2]" 1
550 1 56 TRP HZ3 1 57 TRP HA 3.500 . 4.500 3.861 3.509 4.103 . 0 0 "[ . 1 . 2]" 1
551 1 56 TRP HZ3 1 57 TRP HZ3 2.500 . 3.500 3.239 2.948 3.482 . 0 0 "[ . 1 . 2]" 1
552 1 56 TRP H 1 58 VAL H 3.500 . 4.500 4.118 3.795 4.389 . 0 0 "[ . 1 . 2]" 1
553 1 56 TRP HA 1 59 LYS QB 3.500 . 4.500 2.475 2.025 2.961 . 0 0 "[ . 1 . 2]" 1
554 1 56 TRP HA 1 59 LYS H 3.500 . 4.500 3.312 3.103 3.578 . 0 0 "[ . 1 . 2]" 1
555 1 56 TRP HA 1 60 LEU H 5.000 2.500 6.000 3.924 3.358 4.283 . 0 0 "[ . 1 . 2]" 1
556 1 56 TRP HE3 1 60 LEU QD 2.500 . 3.500 2.128 1.829 3.016 . 0 0 "[ . 1 . 2]" 1
557 1 56 TRP HE3 1 60 LEU HG 3.500 . 4.500 3.892 3.356 4.462 . 0 0 "[ . 1 . 2]" 1
558 1 56 TRP HE3 1 62 LEU QD 5.000 2.500 6.000 4.595 4.082 5.184 . 0 0 "[ . 1 . 2]" 1
559 1 56 TRP HE3 1 83 GLY QA 5.000 2.500 6.000 3.245 2.863 3.785 . 0 0 "[ . 1 . 2]" 1
560 1 56 TRP HH2 1 83 GLY QA 5.000 2.500 6.000 4.071 3.542 4.810 . 0 0 "[ . 1 . 2]" 1
561 1 56 TRP HZ3 1 83 GLY QA 3.500 . 4.500 2.238 1.997 2.869 0.003 3 0 "[ . 1 . 2]" 1
562 1 56 TRP HZ3 1 83 GLY H 5.000 2.500 6.000 4.847 4.449 5.498 . 0 0 "[ . 1 . 2]" 1
563 1 56 TRP HH2 1 84 VAL HA 5.000 2.500 6.000 4.200 3.818 4.773 . 0 0 "[ . 1 . 2]" 1
564 1 56 TRP HB3 1 86 THR MG 5.000 2.500 6.000 3.798 3.229 4.539 . 0 0 "[ . 1 . 2]" 1
565 1 56 TRP HB2 1 86 THR MG 3.500 . 4.500 3.339 2.734 4.112 . 0 0 "[ . 1 . 2]" 1
566 1 56 TRP HD1 1 86 THR MG 5.000 2.500 6.000 4.379 3.264 5.059 . 0 0 "[ . 1 . 2]" 1
567 1 56 TRP HE1 1 86 THR MG 5.000 2.500 6.000 4.414 2.826 5.111 . 0 0 "[ . 1 . 2]" 1
568 1 56 TRP HE3 1 86 THR HB 5.000 2.500 6.000 3.464 2.820 4.325 . 0 0 "[ . 1 . 2]" 1
569 1 56 TRP HE3 1 86 THR MG 3.500 . 4.500 3.517 2.905 3.943 . 0 0 "[ . 1 . 2]" 1
570 1 56 TRP HH2 1 86 THR MG 5.000 2.500 6.000 4.740 4.081 5.193 . 0 0 "[ . 1 . 2]" 1
571 1 56 TRP HZ2 1 86 THR MG 5.000 2.500 6.000 4.542 3.145 5.167 . 0 0 "[ . 1 . 2]" 1
572 1 56 TRP HZ3 1 86 THR MG 3.500 . 4.500 4.315 3.799 4.503 0.003 3 0 "[ . 1 . 2]" 1
573 1 56 TRP HE1 1 87 ALA HA 5.000 2.500 6.000 5.143 4.560 5.748 . 0 0 "[ . 1 . 2]" 1
574 1 56 TRP HH2 1 87 ALA HA 3.500 . 4.500 3.684 2.820 4.286 . 0 0 "[ . 1 . 2]" 1
575 1 56 TRP HH2 1 87 ALA MB 2.500 . 3.500 2.365 1.888 3.059 . 0 0 "[ . 1 . 2]" 1
576 1 56 TRP HZ2 1 87 ALA MB 2.500 . 3.500 3.150 2.503 3.495 . 0 0 "[ . 1 . 2]" 1
577 1 56 TRP HD1 1 90 ASN QD 3.500 . 4.500 3.758 2.557 4.491 . 0 0 "[ . 1 . 2]" 1
578 1 56 TRP HE1 1 90 ASN QD 3.500 . 4.500 2.854 2.092 3.570 . 0 0 "[ . 1 . 2]" 1
579 1 56 TRP HZ2 1 90 ASN QD 3.500 . 4.500 3.589 2.815 4.371 . 0 0 "[ . 1 . 2]" 1
580 1 57 TRP HA 1 58 VAL H 3.500 . 4.500 3.513 3.485 3.551 . 0 0 "[ . 1 . 2]" 1
581 1 57 TRP HB3 1 58 VAL H 2.500 . 3.500 2.728 2.465 2.898 . 0 0 "[ . 1 . 2]" 1
582 1 57 TRP HB2 1 58 VAL H 3.500 . 4.500 3.908 3.756 4.018 . 0 0 "[ . 1 . 2]" 1
583 1 57 TRP HD1 1 58 VAL HA 3.500 . 4.500 3.780 3.348 4.181 . 0 0 "[ . 1 . 2]" 1
584 1 57 TRP HD1 1 58 VAL H 5.000 2.500 6.000 4.130 3.751 4.570 . 0 0 "[ . 1 . 2]" 1
585 1 57 TRP H 1 58 VAL QG 5.000 2.500 6.000 3.816 3.317 4.122 . 0 0 "[ . 1 . 2]" 1
586 1 57 TRP H 1 58 VAL H 2.000 . 2.800 2.580 2.403 2.764 . 0 0 "[ . 1 . 2]" 1
587 1 57 TRP H 1 59 LYS H 3.500 . 4.500 3.989 3.727 4.421 . 0 0 "[ . 1 . 2]" 1
588 1 57 TRP HA 1 60 LEU HB2 3.500 . 4.500 3.234 2.677 4.135 . 0 0 "[ . 1 . 2]" 1
589 1 57 TRP HA 1 60 LEU H 3.500 . 4.500 3.883 3.575 4.232 . 0 0 "[ . 1 . 2]" 1
590 1 57 TRP HA 1 62 LEU HB2 5.000 2.500 6.000 3.617 3.152 4.005 . 0 0 "[ . 1 . 2]" 1
591 1 57 TRP HA 1 62 LEU QD 3.500 . 4.500 3.365 2.751 4.026 . 0 0 "[ . 1 . 2]" 1
592 1 57 TRP HD1 1 62 LEU HB3 5.000 2.500 6.000 4.256 3.811 4.686 . 0 0 "[ . 1 . 2]" 1
593 1 57 TRP HD1 1 62 LEU HB2 3.500 . 4.500 3.721 3.146 3.964 . 0 0 "[ . 1 . 2]" 1
594 1 57 TRP HD1 1 62 LEU QD 5.000 2.500 6.000 4.732 4.143 5.187 . 0 0 "[ . 1 . 2]" 1
595 1 57 TRP HE1 1 62 LEU HA 5.000 2.500 6.000 4.820 4.181 5.120 . 0 0 "[ . 1 . 2]" 1
596 1 57 TRP HE1 1 62 LEU HB3 3.500 . 4.500 2.765 2.262 3.187 . 0 0 "[ . 1 . 2]" 1
597 1 57 TRP HE1 1 62 LEU HB2 3.500 . 4.500 3.408 2.800 3.815 . 0 0 "[ . 1 . 2]" 1
598 1 57 TRP HE1 1 62 LEU MD1 5.000 2.500 6.000 4.539 3.893 5.104 . 0 0 "[ . 1 . 2]" 1
599 1 57 TRP HE1 1 62 LEU MD2 5.000 2.500 6.000 4.634 3.517 5.448 . 0 0 "[ . 1 . 2]" 1
600 1 57 TRP HE3 1 62 LEU QD 3.500 . 4.500 3.766 2.911 4.506 0.006 17 0 "[ . 1 . 2]" 1
601 1 57 TRP HH2 1 62 LEU QD 3.500 . 4.500 3.071 2.393 3.804 . 0 0 "[ . 1 . 2]" 1
602 1 57 TRP HZ2 1 62 LEU HB3 3.500 . 4.500 2.806 2.531 3.196 . 0 0 "[ . 1 . 2]" 1
603 1 57 TRP HZ2 1 62 LEU HB2 5.000 2.500 6.000 4.109 3.693 4.491 . 0 0 "[ . 1 . 2]" 1
604 1 57 TRP HZ2 1 62 LEU QD 3.500 . 4.500 2.946 2.291 3.840 . 0 0 "[ . 1 . 2]" 1
605 1 57 TRP HZ3 1 62 LEU QD 3.500 . 4.500 3.548 2.678 4.340 . 0 0 "[ . 1 . 2]" 1
606 1 57 TRP HD1 1 63 PRO QD 5.000 2.500 6.000 5.531 4.909 5.875 . 0 0 "[ . 1 . 2]" 1
607 1 57 TRP HE1 1 63 PRO QB 3.500 . 4.500 4.063 3.600 4.446 . 0 0 "[ . 1 . 2]" 1
608 1 57 TRP HE1 1 63 PRO QD 3.500 . 4.500 3.695 3.087 4.119 . 0 0 "[ . 1 . 2]" 1
609 1 57 TRP HZ2 1 63 PRO QD 5.000 2.500 6.000 3.351 2.888 4.199 . 0 0 "[ . 1 . 2]" 1
610 1 57 TRP HD1 1 64 LYS HA 2.500 . 3.500 3.007 2.589 3.272 . 0 0 "[ . 1 . 2]" 1
611 1 57 TRP HD1 1 64 LYS QB 5.000 2.500 6.000 4.480 3.575 5.023 . 0 0 "[ . 1 . 2]" 1
612 1 57 TRP HD1 1 64 LYS QG 2.500 . 3.500 3.088 2.597 3.503 0.003 17 0 "[ . 1 . 2]" 1
613 1 57 TRP HD1 1 64 LYS H 5.000 2.500 6.000 4.955 4.458 5.331 . 0 0 "[ . 1 . 2]" 1
614 1 57 TRP HE1 1 64 LYS HA 3.500 . 4.500 3.120 2.481 3.765 . 0 0 "[ . 1 . 2]" 1
615 1 57 TRP HE1 1 64 LYS QG 5.000 2.500 6.000 4.424 3.789 4.874 . 0 0 "[ . 1 . 2]" 1
616 1 57 TRP HE1 1 64 LYS H 5.000 2.500 6.000 4.494 3.973 5.089 . 0 0 "[ . 1 . 2]" 1
617 1 57 TRP HD1 1 65 SER H 3.500 . 4.500 4.404 4.141 4.503 0.003 12 0 "[ . 1 . 2]" 1
618 1 57 TRP HE1 1 65 SER H 5.000 2.500 6.000 4.269 3.728 4.721 . 0 0 "[ . 1 . 2]" 1
619 1 57 TRP HE1 1 66 GLN HB2 5.000 2.500 6.000 4.909 4.468 5.202 . 0 0 "[ . 1 . 2]" 1
620 1 57 TRP HE1 1 66 GLN H 5.000 2.500 6.000 4.080 3.820 4.456 . 0 0 "[ . 1 . 2]" 1
621 1 57 TRP HE1 1 67 SER HA 5.000 2.500 6.000 4.951 4.229 5.850 . 0 0 "[ . 1 . 2]" 1
622 1 57 TRP HH2 1 67 SER HA 3.500 . 4.500 4.241 3.868 4.501 0.001 7 0 "[ . 1 . 2]" 1
623 1 57 TRP HZ2 1 67 SER HA 3.500 . 4.500 3.293 2.749 3.920 . 0 0 "[ . 1 . 2]" 1
624 1 57 TRP HH2 1 68 PRO QD 3.500 . 4.500 3.707 3.415 4.103 . 0 0 "[ . 1 . 2]" 1
625 1 57 TRP HZ2 1 68 PRO QD 3.500 . 4.500 3.478 2.821 3.984 . 0 0 "[ . 1 . 2]" 1
626 1 57 TRP HH2 1 80 TRP HA 5.000 2.500 6.000 5.200 4.899 5.754 . 0 0 "[ . 1 . 2]" 1
627 1 57 TRP HZ2 1 80 TRP HE1 3.500 . 4.500 4.388 3.954 4.504 0.004 13 0 "[ . 1 . 2]" 1
628 1 57 TRP HZ3 1 83 GLY QA 3.500 . 4.500 3.219 2.865 3.559 . 0 0 "[ . 1 . 2]" 1
629 1 57 TRP HZ3 1 83 GLY H 5.000 2.500 6.000 5.427 4.941 5.835 . 0 0 "[ . 1 . 2]" 1
630 1 57 TRP HH2 1 84 VAL MG2 3.500 . 4.500 4.177 3.589 4.504 0.004 10 0 "[ . 1 . 2]" 1
631 1 57 TRP HZ3 1 84 VAL HA 5.000 2.500 6.000 4.083 3.709 4.430 . 0 0 "[ . 1 . 2]" 1
632 1 57 TRP HZ3 1 84 VAL MG2 5.000 2.500 6.000 3.823 3.342 4.307 . 0 0 "[ . 1 . 2]" 1
633 1 57 TRP HZ3 1 84 VAL H 5.000 2.500 6.000 4.450 4.061 4.808 . 0 0 "[ . 1 . 2]" 1
634 1 58 VAL HA 1 59 LYS H 3.500 . 4.500 3.514 3.480 3.561 . 0 0 "[ . 1 . 2]" 1
635 1 58 VAL HB 1 59 LYS H 3.500 . 4.500 3.020 2.395 4.059 . 0 0 "[ . 1 . 2]" 1
636 1 58 VAL QG 1 59 LYS H 2.500 . 3.500 3.008 1.992 3.400 . 0 0 "[ . 1 . 2]" 1
637 1 58 VAL H 1 59 LYS H 2.000 . 2.800 2.408 2.278 2.603 . 0 0 "[ . 1 . 2]" 1
638 1 58 VAL HA 1 61 GLY H 3.500 . 4.500 3.487 3.207 3.894 . 0 0 "[ . 1 . 2]" 1
639 1 58 VAL HA 1 62 LEU H 3.500 . 4.500 3.267 2.631 3.687 . 0 0 "[ . 1 . 2]" 1
640 1 59 LYS HA 1 60 LEU H 3.500 . 4.500 3.532 3.503 3.556 . 0 0 "[ . 1 . 2]" 1
641 1 59 LYS QB 1 60 LEU H 3.500 . 4.500 2.628 2.423 2.787 . 0 0 "[ . 1 . 2]" 1
642 1 59 LYS H 1 60 LEU H 2.000 . 2.800 2.659 2.393 2.800 0.000 13 0 "[ . 1 . 2]" 1
643 1 59 LYS H 1 61 GLY H 3.500 . 4.500 4.144 3.982 4.394 . 0 0 "[ . 1 . 2]" 1
644 1 60 LEU HA 1 61 GLY H 3.500 . 4.500 3.522 3.491 3.572 . 0 0 "[ . 1 . 2]" 1
645 1 60 LEU HB3 1 61 GLY H 5.000 2.500 6.000 3.436 2.986 3.743 . 0 0 "[ . 1 . 2]" 1
646 1 60 LEU HB2 1 61 GLY H 3.500 . 4.500 2.821 2.346 3.092 . 0 0 "[ . 1 . 2]" 1
647 1 60 LEU QD 1 61 GLY H 5.000 2.500 6.000 4.073 3.819 4.243 . 0 0 "[ . 1 . 2]" 1
648 1 60 LEU H 1 61 GLY H 2.500 . 3.500 2.655 2.533 2.864 . 0 0 "[ . 1 . 2]" 1
649 1 60 LEU HB3 1 62 LEU QD 3.500 . 4.500 2.384 1.999 3.261 0.001 19 0 "[ . 1 . 2]" 1
650 1 60 LEU HB3 1 62 LEU H 5.000 2.500 6.000 4.306 3.808 5.161 . 0 0 "[ . 1 . 2]" 1
651 1 60 LEU HB2 1 62 LEU QD 3.500 . 4.500 2.418 2.105 3.135 . 0 0 "[ . 1 . 2]" 1
652 1 60 LEU HB2 1 62 LEU H 3.500 . 4.500 3.737 3.295 4.244 . 0 0 "[ . 1 . 2]" 1
653 1 60 LEU QD 1 62 LEU QD 2.500 . 3.500 2.668 2.117 3.308 . 0 0 "[ . 1 . 2]" 1
654 1 60 LEU HG 1 62 LEU QD 5.000 2.500 6.000 4.081 3.022 4.766 . 0 0 "[ . 1 . 2]" 1
655 1 60 LEU H 1 62 LEU H 3.500 . 4.500 4.317 4.032 4.504 0.004 18 0 "[ . 1 . 2]" 1
656 1 60 LEU MD1 1 82 VAL HB 3.500 . 4.500 3.311 2.250 4.225 . 0 0 "[ . 1 . 2]" 1
657 1 60 LEU MD2 1 82 VAL HB 3.500 . 4.500 3.228 2.397 4.242 . 0 0 "[ . 1 . 2]" 1
658 1 60 LEU QD 1 83 GLY QA 2.500 . 3.500 2.383 1.702 3.387 . 0 0 "[ . 1 . 2]" 1
659 1 60 LEU QD 1 86 THR MG 3.500 . 4.500 3.909 3.171 4.361 . 0 0 "[ . 1 . 2]" 1
660 1 61 GLY QA 1 62 LEU HA 3.500 . 4.500 4.025 3.984 4.068 . 0 0 "[ . 1 . 2]" 1
661 1 61 GLY QA 1 62 LEU H 3.500 . 4.500 2.714 2.551 2.813 . 0 0 "[ . 1 . 2]" 1
662 1 61 GLY HA3 1 62 LEU H 3.500 . 4.500 3.530 3.488 3.570 . 0 0 "[ . 1 . 2]" 1
663 1 61 GLY HA2 1 62 LEU H 3.500 . 4.500 2.826 2.612 2.968 . 0 0 "[ . 1 . 2]" 1
664 1 61 GLY H 1 62 LEU HB2 5.000 2.500 6.000 4.025 3.741 4.387 . 0 0 "[ . 1 . 2]" 1
665 1 61 GLY H 1 62 LEU H 2.500 . 3.500 2.147 1.991 2.338 . 0 0 "[ . 1 . 2]" 1
666 1 62 LEU HA 1 63 PRO QD 2.500 . 3.500 2.061 1.916 2.229 . 0 0 "[ . 1 . 2]" 1
667 1 62 LEU HA 1 63 PRO QG 3.500 . 4.500 3.965 3.827 4.120 . 0 0 "[ . 1 . 2]" 1
668 1 62 LEU HB3 1 63 PRO QD 3.500 . 4.500 2.240 1.994 2.894 0.006 3 0 "[ . 1 . 2]" 1
669 1 62 LEU HB2 1 63 PRO QD 3.500 . 4.500 3.667 3.474 4.064 . 0 0 "[ . 1 . 2]" 1
670 1 62 LEU QD 1 63 PRO QD 2.500 . 3.500 2.296 1.986 3.016 . 0 0 "[ . 1 . 2]" 1
671 1 62 LEU MD1 1 63 PRO QD 3.500 . 4.500 3.060 1.998 4.382 0.002 20 0 "[ . 1 . 2]" 1
672 1 62 LEU MD2 1 63 PRO QD 3.500 . 4.500 3.195 2.140 4.004 . 0 0 "[ . 1 . 2]" 1
673 1 62 LEU HG 1 63 PRO QD 5.000 2.500 6.000 3.640 2.506 4.287 . 0 0 "[ . 1 . 2]" 1
674 1 62 LEU HA 1 79 MET ME 3.500 . 4.500 3.337 2.202 4.375 . 0 0 "[ . 1 . 2]" 1
675 1 62 LEU QD 1 79 MET HA 5.000 2.500 6.000 4.585 4.126 5.357 . 0 0 "[ . 1 . 2]" 1
676 1 62 LEU QD 1 79 MET QB 3.500 . 4.500 3.207 2.375 4.265 . 0 0 "[ . 1 . 2]" 1
677 1 62 LEU QD 1 79 MET QG 3.500 . 4.500 3.491 2.437 4.385 . 0 0 "[ . 1 . 2]" 1
678 1 62 LEU MD1 1 79 MET ME 2.500 . 3.500 2.880 2.312 3.500 0.000 4 0 "[ . 1 . 2]" 1
679 1 62 LEU MD2 1 79 MET ME 2.500 . 3.500 2.736 1.941 3.500 . 0 0 "[ . 1 . 2]" 1
680 1 62 LEU QD 1 80 TRP HA 3.500 . 4.500 2.440 2.130 2.825 . 0 0 "[ . 1 . 2]" 1
681 1 62 LEU QD 1 80 TRP HD1 2.500 . 3.500 2.731 2.341 3.287 . 0 0 "[ . 1 . 2]" 1
682 1 62 LEU QD 1 80 TRP HE1 3.500 . 4.500 2.597 2.114 3.249 . 0 0 "[ . 1 . 2]" 1
683 1 62 LEU QD 1 80 TRP HE3 3.500 . 4.500 4.310 3.899 4.501 0.001 17 0 "[ . 1 . 2]" 1
684 1 62 LEU QD 1 80 TRP HZ2 5.000 2.500 6.000 3.618 2.932 4.274 . 0 0 "[ . 1 . 2]" 1
685 1 62 LEU QD 1 80 TRP HZ3 5.000 2.500 6.000 5.018 4.506 5.444 . 0 0 "[ . 1 . 2]" 1
686 1 62 LEU QD 1 82 VAL HB 5.000 2.500 6.000 4.733 4.303 5.398 . 0 0 "[ . 1 . 2]" 1
687 1 62 LEU QD 1 83 GLY H 3.500 . 4.500 3.808 3.311 4.287 . 0 0 "[ . 1 . 2]" 1
688 1 62 LEU QD 1 84 VAL H 5.000 2.500 6.000 4.755 4.245 5.282 . 0 0 "[ . 1 . 2]" 1
689 1 63 PRO HA 1 64 LYS H 2.000 . 2.800 2.181 2.150 2.248 . 0 0 "[ . 1 . 2]" 1
690 1 63 PRO QB 1 64 LYS H 3.500 . 4.500 3.294 2.915 3.683 . 0 0 "[ . 1 . 2]" 1
691 1 63 PRO QD 1 80 TRP HE1 5.000 2.500 6.000 3.249 2.613 3.997 . 0 0 "[ . 1 . 2]" 1
692 1 64 LYS HA 1 65 SER HA 5.000 2.500 6.000 4.391 4.362 4.429 . 0 0 "[ . 1 . 2]" 1
693 1 64 LYS HA 1 65 SER H 2.000 . 2.800 2.194 2.141 2.262 . 0 0 "[ . 1 . 2]" 1
694 1 64 LYS QB 1 65 SER H 3.500 . 4.500 3.286 2.888 3.614 . 0 0 "[ . 1 . 2]" 1
695 1 64 LYS HG3 1 65 SER H 3.500 . 4.500 3.886 3.092 4.503 0.003 17 0 "[ . 1 . 2]" 1
696 1 64 LYS HG2 1 65 SER H 3.500 . 4.500 3.390 2.284 4.293 . 0 0 "[ . 1 . 2]" 1
697 1 64 LYS H 1 65 SER H 5.000 2.500 6.000 4.565 4.486 4.623 . 0 0 "[ . 1 . 2]" 1
698 1 64 LYS HA 1 66 GLN H 3.500 . 4.500 3.720 3.373 4.182 . 0 0 "[ . 1 . 2]" 1
699 1 65 SER HA 1 66 GLN HA 3.500 . 4.500 4.352 4.308 4.400 . 0 0 "[ . 1 . 2]" 1
700 1 65 SER HA 1 66 GLN H 3.500 . 4.500 2.790 2.567 2.977 . 0 0 "[ . 1 . 2]" 1
701 1 65 SER QB 1 66 GLN H 3.500 . 4.500 3.916 3.748 4.067 . 0 0 "[ . 1 . 2]" 1
702 1 65 SER H 1 66 GLN H 3.500 . 4.500 2.748 2.658 2.879 . 0 0 "[ . 1 . 2]" 1
703 1 66 GLN HA 1 67 SER H 2.000 . 2.800 2.594 2.398 2.811 0.011 7 0 "[ . 1 . 2]" 1
704 1 66 GLN HB3 1 67 SER H 3.500 . 4.500 4.340 4.221 4.479 . 0 0 "[ . 1 . 2]" 1
705 1 66 GLN H 1 67 SER HB2 3.500 . 4.500 3.939 3.697 4.241 . 0 0 "[ . 1 . 2]" 1
706 1 66 GLN H 1 67 SER H 2.500 . 3.500 2.728 2.242 3.164 . 0 0 "[ . 1 . 2]" 1
707 1 67 SER HA 1 68 PRO QD 2.500 . 3.500 1.987 1.944 2.004 . 0 0 "[ . 1 . 2]" 1
708 1 67 SER H 1 68 PRO QD 5.000 2.500 6.000 4.079 4.039 4.091 . 0 0 "[ . 1 . 2]" 1
709 1 69 PRO HA 1 70 TYR HA 3.500 . 4.500 4.365 4.330 4.415 . 0 0 "[ . 1 . 2]" 1
710 1 69 PRO HA 1 70 TYR H 2.500 . 3.500 2.430 2.190 2.639 . 0 0 "[ . 1 . 2]" 1
711 1 70 TYR HA 1 71 ARG H 2.500 . 3.500 2.169 2.128 2.392 . 0 0 "[ . 1 . 2]" 1
712 1 70 TYR QB 1 71 ARG H 5.000 2.500 6.000 3.142 2.497 3.498 0.003 3 0 "[ . 1 . 2]" 1
713 1 70 TYR H 1 71 ARG H 5.000 2.500 6.000 4.471 4.285 4.580 . 0 0 "[ . 1 . 2]" 1
714 1 71 ARG HA 1 72 LYS H 2.500 . 3.500 2.696 2.609 2.801 . 0 0 "[ . 1 . 2]" 1
715 1 71 ARG QB 1 72 LYS H 2.500 . 3.500 1.957 1.910 2.044 . 0 0 "[ . 1 . 2]" 1
716 1 71 ARG QG 1 72 LYS H 5.000 2.500 6.000 3.349 2.643 3.999 . 0 0 "[ . 1 . 2]" 1
717 1 71 ARG H 1 72 LYS H 5.000 2.500 6.000 4.361 4.297 4.428 . 0 0 "[ . 1 . 2]" 1
718 1 71 ARG QB 1 75 ASP QB 3.500 . 4.500 2.562 2.069 3.780 . 0 0 "[ . 1 . 2]" 1
719 1 72 LYS HA 1 73 PRO QD 2.000 . 2.800 2.065 1.918 2.273 . 0 0 "[ . 1 . 2]" 1
720 1 72 LYS QB 1 73 PRO QD 3.500 . 4.500 2.249 1.990 2.761 0.010 3 0 "[ . 1 . 2]" 1
721 1 72 LYS H 1 73 PRO QD 5.000 2.500 6.000 4.367 4.325 4.396 . 0 0 "[ . 1 . 2]" 1
722 1 72 LYS HA 1 74 HIS H 5.000 2.500 6.000 4.169 3.922 4.825 . 0 0 "[ . 1 . 2]" 1
723 1 72 LYS QB 1 74 HIS H 3.500 . 4.500 2.532 2.125 3.364 . 0 0 "[ . 1 . 2]" 1
724 1 72 LYS QB 1 75 ASP H 3.500 . 4.500 3.360 2.634 4.255 . 0 0 "[ . 1 . 2]" 1
725 1 73 PRO HA 1 74 HIS H 3.500 . 4.500 3.505 3.408 3.574 . 0 0 "[ . 1 . 2]" 1
726 1 73 PRO QB 1 74 HIS H 3.500 . 4.500 2.939 2.455 3.585 . 0 0 "[ . 1 . 2]" 1
727 1 73 PRO QD 1 74 HIS H 5.000 2.500 6.000 2.824 2.671 3.107 . 0 0 "[ . 1 . 2]" 1
728 1 73 PRO HA 1 75 ASP H 5.000 2.500 6.000 3.932 3.648 4.221 . 0 0 "[ . 1 . 2]" 1
729 1 73 PRO HA 1 76 LEU QD 2.500 . 3.500 2.423 1.953 3.286 . 0 0 "[ . 1 . 2]" 1
730 1 73 PRO HA 1 76 LEU H 3.500 . 4.500 3.709 2.870 4.360 . 0 0 "[ . 1 . 2]" 1
731 1 74 HIS HA 1 75 ASP H 3.500 . 4.500 3.485 3.389 3.539 . 0 0 "[ . 1 . 2]" 1
732 1 74 HIS QB 1 75 ASP H 5.000 2.500 6.000 2.968 2.693 3.600 . 0 0 "[ . 1 . 2]" 1
733 1 74 HIS H 1 75 ASP H 3.500 . 4.500 2.683 2.606 2.834 . 0 0 "[ . 1 . 2]" 1
734 1 75 ASP QB 1 76 LEU H 3.500 . 4.500 3.539 2.771 3.888 . 0 0 "[ . 1 . 2]" 1
735 1 75 ASP H 1 76 LEU H 2.500 . 3.500 2.711 2.147 3.020 . 0 0 "[ . 1 . 2]" 1
736 1 76 LEU HA 1 77 LYS H 2.500 . 3.500 2.195 2.136 2.492 . 0 0 "[ . 1 . 2]" 1
737 1 76 LEU HB3 1 77 LYS H 3.500 . 4.500 3.554 2.274 4.087 . 0 0 "[ . 1 . 2]" 1
738 1 76 LEU QD 1 77 LYS H 3.500 . 4.500 3.775 3.018 4.235 . 0 0 "[ . 1 . 2]" 1
739 1 76 LEU H 1 77 LYS H 5.000 2.500 6.000 4.134 3.567 4.613 . 0 0 "[ . 1 . 2]" 1
740 1 76 LEU HA 1 80 TRP QB 5.000 2.500 6.000 3.013 2.605 3.335 . 0 0 "[ . 1 . 2]" 1
741 1 76 LEU HA 1 80 TRP HD1 5.000 2.500 6.000 5.344 4.742 5.935 . 0 0 "[ . 1 . 2]" 1
742 1 76 LEU HA 1 80 TRP HE3 3.500 . 4.500 4.423 4.107 4.504 0.004 4 0 "[ . 1 . 2]" 1
743 1 76 LEU QD 1 80 TRP HD1 5.000 2.500 6.000 5.290 4.475 5.966 . 0 0 "[ . 1 . 2]" 1
744 1 76 LEU QD 1 80 TRP HE3 2.500 . 3.500 2.201 1.845 2.961 . 0 0 "[ . 1 . 2]" 1
745 1 76 LEU QD 1 80 TRP HZ3 3.500 . 4.500 3.136 2.476 4.141 . 0 0 "[ . 1 . 2]" 1
746 1 76 LEU HB3 1 81 LYS HA 3.500 . 4.500 3.541 3.050 4.150 . 0 0 "[ . 1 . 2]" 1
747 1 76 LEU QD 1 84 VAL MG1 2.500 . 3.500 3.198 2.650 3.507 0.007 13 0 "[ . 1 . 2]" 1
748 1 76 LEU QD 1 84 VAL MG2 2.500 . 3.500 2.088 1.791 2.411 . 0 0 "[ . 1 . 2]" 1
749 1 76 LEU QD 1 84 VAL H 3.500 . 4.500 4.234 3.695 4.503 0.003 14 0 "[ . 1 . 2]" 1
750 1 77 LYS HA 1 78 LYS H 3.500 . 4.500 2.415 2.384 2.450 . 0 0 "[ . 1 . 2]" 1
751 1 77 LYS HB3 1 78 LYS H 5.000 2.500 6.000 2.493 2.481 2.499 0.019 3 0 "[ . 1 . 2]" 1
752 1 77 LYS HB2 1 78 LYS H 3.500 . 4.500 3.785 3.340 3.889 . 0 0 "[ . 1 . 2]" 1
753 1 77 LYS QG 1 78 LYS H 5.000 2.500 6.000 3.579 2.972 4.323 . 0 0 "[ . 1 . 2]" 1
754 1 77 LYS HB2 1 80 TRP HD1 3.500 . 4.500 3.146 2.721 3.540 . 0 0 "[ . 1 . 2]" 1
755 1 77 LYS HB2 1 80 TRP HE1 5.000 2.500 6.000 5.516 5.080 5.944 . 0 0 "[ . 1 . 2]" 1
756 1 77 LYS H 1 80 TRP HD1 3.500 . 4.500 4.105 3.573 4.490 . 0 0 "[ . 1 . 2]" 1
757 1 78 LYS HA 1 79 MET H 3.500 . 4.500 3.566 3.542 3.572 . 0 0 "[ . 1 . 2]" 1
758 1 78 LYS QB 1 79 MET H 3.500 . 4.500 2.384 2.040 3.174 . 0 0 "[ . 1 . 2]" 1
759 1 78 LYS H 1 79 MET H 3.500 . 4.500 2.957 2.814 3.114 . 0 0 "[ . 1 . 2]" 1
760 1 78 LYS HA 1 80 TRP H 3.500 . 4.500 4.231 4.100 4.434 . 0 0 "[ . 1 . 2]" 1
761 1 78 LYS HA 1 81 LYS QB 3.500 . 4.500 2.914 2.582 3.835 . 0 0 "[ . 1 . 2]" 1
762 1 78 LYS HA 1 81 LYS H 3.500 . 4.500 3.540 3.364 3.848 . 0 0 "[ . 1 . 2]" 1
763 1 79 MET HA 1 80 TRP H 5.000 2.500 6.000 3.491 3.479 3.521 . 0 0 "[ . 1 . 2]" 1
764 1 79 MET QB 1 80 TRP H 3.500 . 4.500 3.277 2.627 3.562 . 0 0 "[ . 1 . 2]" 1
765 1 79 MET ME 1 80 TRP HA 5.000 2.500 6.000 4.301 2.758 5.376 . 0 0 "[ . 1 . 2]" 1
766 1 79 MET H 1 80 TRP H 3.500 . 4.500 2.634 2.511 2.675 . 0 0 "[ . 1 . 2]" 1
767 1 79 MET HA 1 81 LYS H 5.000 2.500 6.000 4.369 4.140 4.752 . 0 0 "[ . 1 . 2]" 1
768 1 79 MET H 1 81 LYS H 5.000 2.500 6.000 4.245 4.063 4.483 . 0 0 "[ . 1 . 2]" 1
769 1 79 MET HA 1 82 VAL HB 3.500 . 4.500 3.410 3.111 3.691 . 0 0 "[ . 1 . 2]" 1
770 1 79 MET HA 1 82 VAL MG1 5.000 2.500 6.000 4.591 4.201 4.886 . 0 0 "[ . 1 . 2]" 1
771 1 79 MET HA 1 82 VAL MG2 3.500 . 4.500 2.671 2.195 3.177 . 0 0 "[ . 1 . 2]" 1
772 1 79 MET HA 1 82 VAL H 3.500 . 4.500 3.605 3.456 3.730 . 0 0 "[ . 1 . 2]" 1
773 1 80 TRP HA 1 81 LYS H 5.000 2.500 6.000 3.525 3.491 3.565 . 0 0 "[ . 1 . 2]" 1
774 1 80 TRP QB 1 81 LYS H 3.500 . 4.500 2.735 2.528 2.878 . 0 0 "[ . 1 . 2]" 1
775 1 80 TRP H 1 81 LYS H 2.500 . 3.500 2.563 2.464 2.729 . 0 0 "[ . 1 . 2]" 1
776 1 80 TRP H 1 82 VAL H 5.000 2.500 6.000 4.146 3.899 4.378 . 0 0 "[ . 1 . 2]" 1
777 1 80 TRP HA 1 83 GLY H 3.500 . 4.500 3.349 3.213 3.486 . 0 0 "[ . 1 . 2]" 1
778 1 80 TRP HA 1 84 VAL H 5.000 2.500 6.000 4.321 4.050 4.637 . 0 0 "[ . 1 . 2]" 1
779 1 80 TRP HZ3 1 84 VAL MG1 3.500 . 4.500 4.022 3.495 4.500 0.000 3 0 "[ . 1 . 2]" 1
780 1 80 TRP HZ3 1 84 VAL MG2 3.500 . 4.500 2.296 1.994 2.894 0.006 15 0 "[ . 1 . 2]" 1
781 1 81 LYS HA 1 82 VAL H 3.500 . 4.500 3.527 3.488 3.557 . 0 0 "[ . 1 . 2]" 1
782 1 81 LYS HB3 1 82 VAL H 3.500 . 4.500 3.324 2.572 4.021 . 0 0 "[ . 1 . 2]" 1
783 1 81 LYS HB2 1 82 VAL H 3.500 . 4.500 2.952 2.597 3.921 . 0 0 "[ . 1 . 2]" 1
784 1 81 LYS H 1 82 VAL H 2.500 . 3.500 2.712 2.553 2.775 . 0 0 "[ . 1 . 2]" 1
785 1 81 LYS HA 1 83 GLY H 3.500 . 4.500 4.378 4.186 4.502 0.002 10 0 "[ . 1 . 2]" 1
786 1 81 LYS HA 1 84 VAL HB 3.500 . 4.500 3.361 2.795 3.717 . 0 0 "[ . 1 . 2]" 1
787 1 81 LYS HA 1 84 VAL MG2 5.000 2.500 6.000 2.981 2.502 3.519 . 0 0 "[ . 1 . 2]" 1
788 1 81 LYS HA 1 84 VAL H 5.000 2.500 6.000 3.676 3.404 3.882 . 0 0 "[ . 1 . 2]" 1
789 1 82 VAL HA 1 83 GLY H 3.500 . 4.500 3.528 3.493 3.553 . 0 0 "[ . 1 . 2]" 1
790 1 82 VAL HB 1 83 GLY H 2.500 . 3.500 2.670 2.504 2.871 . 0 0 "[ . 1 . 2]" 1
791 1 82 VAL MG1 1 83 GLY H 3.500 . 4.500 3.674 3.525 3.817 . 0 0 "[ . 1 . 2]" 1
792 1 82 VAL MG2 1 83 GLY H 3.500 . 4.500 3.739 3.662 3.816 . 0 0 "[ . 1 . 2]" 1
793 1 82 VAL H 1 83 GLY H 2.500 . 3.500 2.607 2.498 2.723 . 0 0 "[ . 1 . 2]" 1
794 1 82 VAL H 1 84 VAL H 5.000 2.500 6.000 4.317 4.020 4.571 . 0 0 "[ . 1 . 2]" 1
795 1 82 VAL HA 1 85 LEU QB 2.500 . 3.500 2.696 2.424 3.177 . 0 0 "[ . 1 . 2]" 1
796 1 82 VAL HA 1 85 LEU H 3.500 . 4.500 3.577 3.441 3.872 . 0 0 "[ . 1 . 2]" 1
797 1 83 GLY QA 1 84 VAL MG2 3.500 . 4.500 3.716 3.564 3.886 . 0 0 "[ . 1 . 2]" 1
798 1 83 GLY QA 1 84 VAL H 3.500 . 4.500 2.670 2.583 2.758 . 0 0 "[ . 1 . 2]" 1
799 1 83 GLY H 1 84 VAL MG2 3.500 . 4.500 4.066 3.870 4.174 . 0 0 "[ . 1 . 2]" 1
800 1 83 GLY H 1 84 VAL H 3.500 . 4.500 2.749 2.541 2.834 . 0 0 "[ . 1 . 2]" 1
801 1 83 GLY QA 1 85 LEU H 5.000 2.500 6.000 4.062 3.881 4.328 . 0 0 "[ . 1 . 2]" 1
802 1 83 GLY H 1 85 LEU H 5.000 2.500 6.000 4.169 3.997 4.450 . 0 0 "[ . 1 . 2]" 1
803 1 83 GLY QA 1 86 THR HB 3.500 . 4.500 3.396 2.867 3.721 . 0 0 "[ . 1 . 2]" 1
804 1 83 GLY QA 1 86 THR H 5.000 2.500 6.000 3.573 3.427 3.720 . 0 0 "[ . 1 . 2]" 1
805 1 84 VAL HA 1 85 LEU H 3.500 . 4.500 3.533 3.503 3.565 . 0 0 "[ . 1 . 2]" 1
806 1 84 VAL HB 1 85 LEU HA 3.500 . 4.500 4.141 4.108 4.183 . 0 0 "[ . 1 . 2]" 1
807 1 84 VAL HB 1 85 LEU H 3.500 . 4.500 2.624 2.401 2.799 . 0 0 "[ . 1 . 2]" 1
808 1 84 VAL MG1 1 85 LEU H 3.500 . 4.500 3.583 3.341 3.747 . 0 0 "[ . 1 . 2]" 1
809 1 84 VAL MG2 1 85 LEU H 3.500 . 4.500 3.749 3.686 3.806 . 0 0 "[ . 1 . 2]" 1
810 1 84 VAL H 1 85 LEU H 2.500 . 3.500 2.677 2.597 2.753 . 0 0 "[ . 1 . 2]" 1
811 1 84 VAL H 1 86 THR H 5.000 2.500 6.000 4.304 3.982 4.656 . 0 0 "[ . 1 . 2]" 1
812 1 84 VAL HA 1 87 ALA MB 2.500 . 3.500 2.521 2.230 2.983 . 0 0 "[ . 1 . 2]" 1
813 1 84 VAL HA 1 87 ALA H 3.500 . 4.500 3.376 3.181 3.533 . 0 0 "[ . 1 . 2]" 1
814 1 84 VAL HA 1 88 VAL H 5.000 2.500 6.000 4.294 4.001 4.611 . 0 0 "[ . 1 . 2]" 1
815 1 85 LEU HA 1 86 THR H 3.500 . 4.500 3.542 3.492 3.569 . 0 0 "[ . 1 . 2]" 1
816 1 85 LEU QB 1 86 THR H 2.500 . 3.500 2.589 2.392 2.780 . 0 0 "[ . 1 . 2]" 1
817 1 85 LEU H 1 86 THR H 3.500 . 4.500 2.765 2.673 2.881 . 0 0 "[ . 1 . 2]" 1
818 1 85 LEU HA 1 87 ALA H 3.500 . 4.500 4.196 4.056 4.449 . 0 0 "[ . 1 . 2]" 1
819 1 85 LEU H 1 87 ALA H 5.000 2.500 6.000 4.047 3.885 4.246 . 0 0 "[ . 1 . 2]" 1
820 1 85 LEU HA 1 88 VAL HB 3.500 . 4.500 3.348 3.069 3.831 . 0 0 "[ . 1 . 2]" 1
821 1 85 LEU HA 1 88 VAL MG1 5.000 2.500 6.000 4.552 4.256 5.007 . 0 0 "[ . 1 . 2]" 1
822 1 85 LEU HA 1 88 VAL MG2 2.500 . 3.500 2.529 2.134 3.074 . 0 0 "[ . 1 . 2]" 1
823 1 85 LEU HA 1 88 VAL H 3.500 . 4.500 3.559 3.356 3.847 . 0 0 "[ . 1 . 2]" 1
824 1 85 LEU HA 1 89 ILE H 5.000 2.500 6.000 4.479 4.224 4.688 . 0 0 "[ . 1 . 2]" 1
825 1 85 LEU QD 1 121 TRP HE3 5.000 2.500 6.000 4.147 3.638 4.977 . 0 0 "[ . 1 . 2]" 1
826 1 85 LEU QD 1 121 TRP HZ3 3.500 . 4.500 2.317 2.007 2.984 . 0 0 "[ . 1 . 2]" 1
827 1 86 THR HA 1 87 ALA H 3.500 . 4.500 3.500 3.482 3.542 . 0 0 "[ . 1 . 2]" 1
828 1 86 THR HB 1 87 ALA HA 5.000 2.500 6.000 4.113 3.989 4.208 . 0 0 "[ . 1 . 2]" 1
829 1 86 THR HB 1 87 ALA H 2.500 . 3.500 2.827 2.582 2.921 . 0 0 "[ . 1 . 2]" 1
830 1 86 THR MG 1 87 ALA HA 3.500 . 4.500 3.992 3.778 4.327 . 0 0 "[ . 1 . 2]" 1
831 1 86 THR MG 1 87 ALA H 3.500 . 4.500 3.871 3.710 4.051 . 0 0 "[ . 1 . 2]" 1
832 1 86 THR H 1 87 ALA H 2.500 . 3.500 2.620 2.435 2.731 . 0 0 "[ . 1 . 2]" 1
833 1 86 THR HA 1 88 VAL H 5.000 2.500 6.000 4.549 4.210 4.827 . 0 0 "[ . 1 . 2]" 1
834 1 86 THR MG 1 88 VAL H 5.000 2.500 6.000 5.351 5.044 5.567 . 0 0 "[ . 1 . 2]" 1
835 1 86 THR H 1 88 VAL H 3.500 . 4.500 4.344 4.090 4.504 0.004 8 0 "[ . 1 . 2]" 1
836 1 86 THR HA 1 89 ILE HB 2.500 . 3.500 3.072 2.784 3.259 . 0 0 "[ . 1 . 2]" 1
837 1 86 THR HA 1 89 ILE MD 3.500 . 4.500 2.371 1.999 2.865 0.001 18 0 "[ . 1 . 2]" 1
838 1 86 THR HA 1 89 ILE QG 3.500 . 4.500 3.468 3.161 3.888 . 0 0 "[ . 1 . 2]" 1
839 1 86 THR HA 1 89 ILE MG 3.500 . 4.500 4.373 4.139 4.505 0.005 7 0 "[ . 1 . 2]" 1
840 1 86 THR HA 1 89 ILE H 3.500 . 4.500 3.584 3.417 3.764 . 0 0 "[ . 1 . 2]" 1
841 1 86 THR MG 1 89 ILE HB 5.000 2.500 6.000 3.663 3.396 4.039 . 0 0 "[ . 1 . 2]" 1
842 1 86 THR MG 1 89 ILE MD 5.000 2.500 6.000 3.551 3.193 4.050 . 0 0 "[ . 1 . 2]" 1
843 1 86 THR MG 1 89 ILE H 5.000 2.500 6.000 4.657 4.501 4.912 . 0 0 "[ . 1 . 2]" 1
844 1 86 THR HA 1 90 ASN H 5.000 2.500 6.000 4.267 3.858 4.518 . 0 0 "[ . 1 . 2]" 1
845 1 86 THR MG 1 90 ASN QB 5.000 2.500 6.000 3.908 3.375 4.390 . 0 0 "[ . 1 . 2]" 1
846 1 86 THR MG 1 90 ASN QD 2.500 . 3.500 2.871 2.034 3.453 . 0 0 "[ . 1 . 2]" 1
847 1 86 THR MG 1 90 ASN H 5.000 2.500 6.000 4.106 3.586 4.390 . 0 0 "[ . 1 . 2]" 1
848 1 86 THR HA 1 125 LEU QD 5.000 2.500 6.000 5.715 5.194 6.002 0.002 6 0 "[ . 1 . 2]" 1
849 1 87 ALA HA 1 88 VAL H 3.500 . 4.500 3.549 3.513 3.565 . 0 0 "[ . 1 . 2]" 1
850 1 87 ALA MB 1 88 VAL H 2.500 . 3.500 2.561 2.416 2.773 . 0 0 "[ . 1 . 2]" 1
851 1 87 ALA H 1 88 VAL H 3.500 . 4.500 2.640 2.520 2.789 . 0 0 "[ . 1 . 2]" 1
852 1 87 ALA HA 1 89 ILE H 5.000 2.500 6.000 4.298 4.018 4.541 . 0 0 "[ . 1 . 2]" 1
853 1 87 ALA H 1 89 ILE H 5.000 2.500 6.000 4.055 3.847 4.259 . 0 0 "[ . 1 . 2]" 1
854 1 87 ALA HA 1 90 ASN QB 2.500 . 3.500 2.461 2.297 2.789 . 0 0 "[ . 1 . 2]" 1
855 1 87 ALA HA 1 90 ASN QD 3.500 . 4.500 3.250 2.195 4.086 . 0 0 "[ . 1 . 2]" 1
856 1 87 ALA HA 1 90 ASN H 3.500 . 4.500 3.353 3.168 3.564 . 0 0 "[ . 1 . 2]" 1
857 1 88 VAL HA 1 89 ILE H 3.500 . 4.500 3.524 3.491 3.551 . 0 0 "[ . 1 . 2]" 1
858 1 88 VAL HB 1 89 ILE H 3.500 . 4.500 2.682 2.510 2.867 . 0 0 "[ . 1 . 2]" 1
859 1 88 VAL MG1 1 89 ILE H 3.500 . 4.500 3.718 3.530 3.875 . 0 0 "[ . 1 . 2]" 1
860 1 88 VAL MG2 1 89 ILE H 3.500 . 4.500 3.720 3.635 3.838 . 0 0 "[ . 1 . 2]" 1
861 1 88 VAL H 1 89 ILE H 2.500 . 3.500 2.703 2.605 2.760 . 0 0 "[ . 1 . 2]" 1
862 1 88 VAL HA 1 90 ASN H 3.500 . 4.500 4.357 4.213 4.503 0.003 7 0 "[ . 1 . 2]" 1
863 1 88 VAL MG1 1 91 HIS HD2 5.000 2.500 6.000 4.823 4.436 5.252 . 0 0 "[ . 1 . 2]" 1
864 1 88 VAL MG1 1 92 MET ME 2.500 . 3.500 2.784 2.207 3.504 0.004 10 0 "[ . 1 . 2]" 1
865 1 88 VAL MG1 1 92 MET QG 3.500 . 4.500 3.893 3.064 4.504 0.004 1 0 "[ . 1 . 2]" 1
866 1 89 ILE HA 1 90 ASN H 3.500 . 4.500 3.511 3.492 3.536 . 0 0 "[ . 1 . 2]" 1
867 1 89 ILE HB 1 90 ASN H 2.500 . 3.500 2.755 2.612 2.862 . 0 0 "[ . 1 . 2]" 1
868 1 89 ILE QG 1 90 ASN H 3.500 . 4.500 3.939 3.908 3.985 . 0 0 "[ . 1 . 2]" 1
869 1 89 ILE MG 1 90 ASN HA 3.500 . 4.500 3.735 3.596 3.860 . 0 0 "[ . 1 . 2]" 1
870 1 89 ILE MG 1 90 ASN H 3.500 . 4.500 3.696 3.565 3.776 . 0 0 "[ . 1 . 2]" 1
871 1 89 ILE H 1 90 ASN H 2.500 . 3.500 2.505 2.388 2.606 . 0 0 "[ . 1 . 2]" 1
872 1 89 ILE HA 1 91 HIS H 5.000 2.500 6.000 4.099 3.956 4.256 . 0 0 "[ . 1 . 2]" 1
873 1 89 ILE HA 1 92 MET QB 3.500 . 4.500 3.141 2.751 3.498 . 0 0 "[ . 1 . 2]" 1
874 1 89 ILE HA 1 92 MET H 3.500 . 4.500 3.362 3.179 3.550 . 0 0 "[ . 1 . 2]" 1
875 1 89 ILE MG 1 93 LEU HA 3.500 . 4.500 3.200 2.952 3.538 . 0 0 "[ . 1 . 2]" 1
876 1 89 ILE MG 1 93 LEU QB 3.500 . 4.500 3.992 3.769 4.197 . 0 0 "[ . 1 . 2]" 1
877 1 89 ILE MG 1 93 LEU HG 2.500 . 3.500 2.912 2.445 3.331 . 0 0 "[ . 1 . 2]" 1
878 1 89 ILE MG 1 93 LEU H 5.000 2.500 6.000 4.298 4.156 4.511 . 0 0 "[ . 1 . 2]" 1
879 1 89 ILE MD 1 121 TRP HH2 2.500 . 3.500 2.647 1.958 3.046 . 0 0 "[ . 1 . 2]" 1
880 1 89 ILE MD 1 121 TRP HZ3 2.500 . 3.500 3.334 2.649 3.510 0.010 5 0 "[ . 1 . 2]" 1
881 1 89 ILE QG 1 121 TRP HH2 3.500 . 4.500 3.415 2.881 3.742 . 0 0 "[ . 1 . 2]" 1
882 1 89 ILE QG 1 121 TRP HZ2 3.500 . 4.500 4.053 3.662 4.313 . 0 0 "[ . 1 . 2]" 1
883 1 89 ILE QG 1 121 TRP HZ3 5.000 2.500 6.000 4.908 4.256 5.336 . 0 0 "[ . 1 . 2]" 1
884 1 89 ILE MG 1 121 TRP HH2 5.000 2.500 6.000 4.968 4.235 5.300 . 0 0 "[ . 1 . 2]" 1
885 1 89 ILE MD 1 125 LEU QD 2.000 . 2.800 2.505 1.930 2.803 0.003 16 0 "[ . 1 . 2]" 1
886 1 89 ILE MD 1 125 LEU HG 2.500 . 3.500 3.338 2.731 3.502 0.002 3 0 "[ . 1 . 2]" 1
887 1 89 ILE MG 1 125 LEU QD 2.500 . 3.500 2.426 1.677 3.078 . 0 0 "[ . 1 . 2]" 1
888 1 89 ILE MG 1 125 LEU HG 2.500 . 3.500 2.940 2.019 3.504 0.004 7 0 "[ . 1 . 2]" 1
889 1 90 ASN HA 1 91 HIS H 3.500 . 4.500 3.509 3.493 3.526 . 0 0 "[ . 1 . 2]" 1
890 1 90 ASN QB 1 91 HIS H 3.500 . 4.500 2.774 2.641 2.872 . 0 0 "[ . 1 . 2]" 1
891 1 90 ASN H 1 91 HIS H 3.500 . 4.500 2.663 2.610 2.696 . 0 0 "[ . 1 . 2]" 1
892 1 90 ASN H 1 92 MET H 5.000 2.500 6.000 4.345 4.150 4.533 . 0 0 "[ . 1 . 2]" 1
893 1 90 ASN HA 1 93 LEU QB 3.500 . 4.500 2.520 2.180 2.780 . 0 0 "[ . 1 . 2]" 1
894 1 90 ASN HA 1 93 LEU QD 2.500 . 3.500 2.275 1.890 2.651 . 0 0 "[ . 1 . 2]" 1
895 1 90 ASN HA 1 93 LEU HG 2.500 . 3.500 3.176 2.659 3.502 0.002 9 0 "[ . 1 . 2]" 1
896 1 91 HIS HA 1 92 MET H 3.500 . 4.500 3.554 3.534 3.567 . 0 0 "[ . 1 . 2]" 1
897 1 91 HIS HB3 1 92 MET H 3.500 . 4.500 2.435 2.289 2.598 . 0 0 "[ . 1 . 2]" 1
898 1 91 HIS HB2 1 92 MET H 3.500 . 4.500 3.768 3.629 3.883 . 0 0 "[ . 1 . 2]" 1
899 1 91 HIS HD2 1 92 MET HA 3.500 . 4.500 4.155 3.479 4.499 . 0 0 "[ . 1 . 2]" 1
900 1 91 HIS HD2 1 92 MET ME 3.500 . 4.500 4.316 3.881 4.496 . 0 0 "[ . 1 . 2]" 1
901 1 91 HIS HD2 1 92 MET HG3 3.500 . 4.500 2.797 2.244 3.544 . 0 0 "[ . 1 . 2]" 1
902 1 91 HIS HD2 1 92 MET HG2 3.500 . 4.500 3.524 2.626 4.242 . 0 0 "[ . 1 . 2]" 1
903 1 91 HIS HD2 1 92 MET H 5.000 2.500 6.000 4.019 3.477 4.343 . 0 0 "[ . 1 . 2]" 1
904 1 91 HIS H 1 92 MET H 2.500 . 3.500 2.615 2.508 2.725 . 0 0 "[ . 1 . 2]" 1
905 1 91 HIS HA 1 93 LEU H 3.500 . 4.500 3.751 3.679 3.804 . 0 0 "[ . 1 . 2]" 1
906 1 91 HIS H 1 93 LEU H 3.500 . 4.500 3.818 3.735 3.873 . 0 0 "[ . 1 . 2]" 1
907 1 92 MET HA 1 93 LEU H 3.500 . 4.500 3.089 3.011 3.164 . 0 0 "[ . 1 . 2]" 1
908 1 92 MET QB 1 93 LEU H 3.500 . 4.500 3.659 3.578 3.727 . 0 0 "[ . 1 . 2]" 1
909 1 92 MET H 1 93 LEU H 2.500 . 3.500 2.707 2.601 2.830 . 0 0 "[ . 1 . 2]" 1
910 1 92 MET ME 1 99 ILE QG 3.500 . 4.500 3.704 2.725 4.503 0.003 10 0 "[ . 1 . 2]" 1
911 1 92 MET ME 1 102 HIS HD2 3.500 . 4.500 4.332 2.650 4.508 0.008 5 0 "[ . 1 . 2]" 1
912 1 93 LEU HA 1 94 PRO QD 3.500 . 4.500 3.508 3.490 3.518 . 0 0 "[ . 1 . 2]" 1
913 1 93 LEU QB 1 94 PRO QD 2.500 . 3.500 1.920 1.894 1.979 . 0 0 "[ . 1 . 2]" 1
914 1 93 LEU QD 1 94 PRO QD 2.500 . 3.500 3.267 3.159 3.357 . 0 0 "[ . 1 . 2]" 1
915 1 93 LEU HA 1 95 ASP H 3.500 . 4.500 3.883 3.837 3.944 . 0 0 "[ . 1 . 2]" 1
916 1 93 LEU H 1 95 ASP H 5.000 2.500 6.000 4.123 4.022 4.219 . 0 0 "[ . 1 . 2]" 1
917 1 93 LEU HA 1 96 ILE QG 3.500 . 4.500 3.508 2.839 4.110 . 0 0 "[ . 1 . 2]" 1
918 1 93 LEU QD 1 96 ILE QG 2.000 . 2.800 2.723 2.459 2.816 0.016 15 0 "[ . 1 . 2]" 1
919 1 94 PRO HA 1 95 ASP H 3.500 . 4.500 3.495 3.419 3.519 . 0 0 "[ . 1 . 2]" 1
920 1 94 PRO QB 1 95 ASP H 3.500 . 4.500 2.995 2.712 3.540 . 0 0 "[ . 1 . 2]" 1
921 1 94 PRO QD 1 95 ASP H 3.500 . 4.500 2.992 2.850 3.253 . 0 0 "[ . 1 . 2]" 1
922 1 94 PRO QG 1 95 ASP H 5.000 2.500 6.000 3.611 2.834 4.019 . 0 0 "[ . 1 . 2]" 1
923 1 95 ASP HA 1 96 ILE H 2.500 . 3.500 2.512 2.393 2.786 . 0 0 "[ . 1 . 2]" 1
924 1 95 ASP QB 1 96 ILE H 5.000 2.500 6.000 3.929 3.868 4.000 . 0 0 "[ . 1 . 2]" 1
925 1 95 ASP H 1 96 ILE MD 3.500 . 4.500 4.010 3.748 4.479 . 0 0 "[ . 1 . 2]" 1
926 1 95 ASP H 1 96 ILE H 5.000 2.500 6.000 3.385 2.880 3.619 . 0 0 "[ . 1 . 2]" 1
927 1 95 ASP HA 1 97 ALA MB 5.000 2.500 6.000 4.250 4.023 4.549 . 0 0 "[ . 1 . 2]" 1
928 1 95 ASP HA 1 97 ALA H 3.500 . 4.500 3.514 3.309 3.883 . 0 0 "[ . 1 . 2]" 1
929 1 95 ASP HA 1 98 LYS HB2 3.500 . 4.500 4.298 3.891 4.507 0.007 16 0 "[ . 1 . 2]" 1
930 1 95 ASP HA 1 98 LYS H 5.000 2.500 6.000 3.725 3.586 3.831 . 0 0 "[ . 1 . 2]" 1
931 1 95 ASP QB 1 98 LYS HB2 3.500 . 4.500 2.427 1.998 3.718 0.002 17 0 "[ . 1 . 2]" 1
932 1 95 ASP QB 1 98 LYS H 5.000 2.500 6.000 3.091 2.671 3.838 . 0 0 "[ . 1 . 2]" 1
933 1 96 ILE HA 1 97 ALA H 3.500 . 4.500 3.531 3.485 3.565 . 0 0 "[ . 1 . 2]" 1
934 1 96 ILE HB 1 97 ALA H 2.500 . 3.500 2.668 2.309 3.548 0.048 13 0 "[ . 1 . 2]" 1
935 1 96 ILE MG 1 97 ALA H 3.500 . 4.500 3.520 1.982 3.773 0.018 13 0 "[ . 1 . 2]" 1
936 1 96 ILE H 1 97 ALA H 2.500 . 3.500 2.701 2.518 2.841 . 0 0 "[ . 1 . 2]" 1
937 1 96 ILE HA 1 98 LYS H 5.000 2.500 6.000 4.070 3.668 4.585 . 0 0 "[ . 1 . 2]" 1
938 1 96 ILE H 1 98 LYS H 5.000 2.500 6.000 4.103 3.880 4.508 . 0 0 "[ . 1 . 2]" 1
939 1 96 ILE HA 1 99 ILE HB 3.500 . 4.500 3.346 3.061 4.324 . 0 0 "[ . 1 . 2]" 1
940 1 96 ILE HA 1 99 ILE H 3.500 . 4.500 3.488 3.292 3.858 . 0 0 "[ . 1 . 2]" 1
941 1 96 ILE HA 1 125 LEU QD 3.500 . 4.500 3.789 3.003 4.299 . 0 0 "[ . 1 . 2]" 1
942 1 97 ALA HA 1 98 LYS H 3.500 . 4.500 3.486 3.357 3.561 . 0 0 "[ . 1 . 2]" 1
943 1 97 ALA MB 1 98 LYS H 2.500 . 3.500 2.817 2.480 3.217 . 0 0 "[ . 1 . 2]" 1
944 1 97 ALA H 1 98 LYS H 2.500 . 3.500 2.663 2.460 2.832 . 0 0 "[ . 1 . 2]" 1
945 1 97 ALA HA 1 99 ILE H 5.000 2.500 6.000 4.504 3.927 4.860 . 0 0 "[ . 1 . 2]" 1
946 1 97 ALA H 1 99 ILE H 5.000 2.500 6.000 4.383 3.962 4.536 . 0 0 "[ . 1 . 2]" 1
947 1 97 ALA HA 1 100 LYS H 3.500 . 4.500 3.746 3.328 4.175 . 0 0 "[ . 1 . 2]" 1
948 1 98 LYS HA 1 99 ILE H 5.000 2.500 6.000 3.542 3.454 3.568 . 0 0 "[ . 1 . 2]" 1
949 1 98 LYS H 1 99 ILE H 3.500 . 4.500 2.618 2.309 2.830 . 0 0 "[ . 1 . 2]" 1
950 1 98 LYS H 1 100 LYS H 5.000 2.500 6.000 4.261 3.740 5.142 . 0 0 "[ . 1 . 2]" 1
951 1 98 LYS HA 1 101 ARG QB 3.500 . 4.500 2.340 2.063 2.903 . 0 0 "[ . 1 . 2]" 1
952 1 98 LYS HA 1 101 ARG QG 5.000 2.500 6.000 3.873 2.844 4.800 . 0 0 "[ . 1 . 2]" 1
953 1 98 LYS HA 1 101 ARG H 3.500 . 4.500 3.502 3.241 3.852 . 0 0 "[ . 1 . 2]" 1
954 1 98 LYS HA 1 102 HIS HD2 5.000 2.500 6.000 4.824 4.097 5.417 . 0 0 "[ . 1 . 2]" 1
955 1 98 LYS HA 1 102 HIS H 5.000 2.500 6.000 4.493 3.979 4.934 . 0 0 "[ . 1 . 2]" 1
956 1 98 LYS QG 1 102 HIS HD2 2.500 . 3.500 3.294 2.963 3.505 0.005 16 0 "[ . 1 . 2]" 1
957 1 99 ILE HA 1 100 LYS H 3.500 . 4.500 3.546 3.475 3.573 . 0 0 "[ . 1 . 2]" 1
958 1 99 ILE HB 1 100 LYS HA 5.000 2.500 6.000 4.346 4.105 5.668 . 0 0 "[ . 1 . 2]" 1
959 1 99 ILE MG 1 100 LYS H 2.500 . 3.500 3.254 2.013 3.519 0.019 16 0 "[ . 1 . 2]" 1
960 1 99 ILE H 1 100 LYS H 3.500 . 4.500 2.782 2.444 3.050 . 0 0 "[ . 1 . 2]" 1
961 1 99 ILE H 1 101 ARG H 3.500 . 4.500 3.845 3.620 4.061 . 0 0 "[ . 1 . 2]" 1
962 1 99 ILE HA 1 102 HIS QB 5.000 2.500 6.000 4.499 3.036 5.188 . 0 0 "[ . 1 . 2]" 1
963 1 99 ILE HA 1 102 HIS HD2 3.500 . 4.500 2.424 1.998 3.666 0.002 18 0 "[ . 1 . 2]" 1
964 1 99 ILE HA 1 102 HIS H 5.000 2.500 6.000 3.913 3.499 4.292 . 0 0 "[ . 1 . 2]" 1
965 1 99 ILE MD 1 102 HIS HD2 3.500 . 4.500 3.879 2.535 4.513 0.013 14 0 "[ . 1 . 2]" 1
966 1 99 ILE MD 1 102 HIS H 5.000 2.500 6.000 5.582 5.014 5.954 . 0 0 "[ . 1 . 2]" 1
967 1 99 ILE MG 1 102 HIS HD2 5.000 2.500 6.000 4.067 3.437 5.294 . 0 0 "[ . 1 . 2]" 1
968 1 99 ILE MG 1 102 HIS H 5.000 2.500 6.000 4.914 4.542 5.305 . 0 0 "[ . 1 . 2]" 1
969 1 99 ILE MG 1 121 TRP HZ2 2.500 . 3.500 3.011 2.356 3.505 0.005 8 0 "[ . 1 . 2]" 1
970 1 99 ILE MG 1 125 LEU QD 2.000 . 2.800 2.009 1.739 2.416 . 0 0 "[ . 1 . 2]" 1
971 1 99 ILE MG 1 125 LEU MD1 2.500 . 3.500 2.893 1.959 3.501 0.001 15 0 "[ . 1 . 2]" 1
972 1 99 ILE MG 1 125 LEU MD2 2.500 . 3.500 2.116 1.762 2.737 . 0 0 "[ . 1 . 2]" 1
973 1 100 LYS HA 1 101 ARG H 3.500 . 4.500 3.386 3.194 3.507 . 0 0 "[ . 1 . 2]" 1
974 1 100 LYS QB 1 101 ARG H 3.500 . 4.500 3.469 2.886 3.913 . 0 0 "[ . 1 . 2]" 1
975 1 100 LYS HA 1 103 VAL HB 2.500 . 3.500 2.796 2.229 3.504 0.004 10 0 "[ . 1 . 2]" 1
976 1 100 LYS HA 1 103 VAL MG2 2.500 . 3.500 2.699 1.964 3.273 . 0 0 "[ . 1 . 2]" 1
977 1 100 LYS HA 1 103 VAL H 3.500 . 4.500 3.575 3.275 4.069 . 0 0 "[ . 1 . 2]" 1
978 1 100 LYS HA 1 104 ARG H 3.500 . 4.500 4.044 3.685 4.430 . 0 0 "[ . 1 . 2]" 1
979 1 100 LYS HA 1 121 TRP HD1 5.000 2.500 6.000 4.834 4.070 5.834 . 0 0 "[ . 1 . 2]" 1
980 1 100 LYS HA 1 121 TRP HE1 5.000 2.500 6.000 4.039 3.234 4.963 . 0 0 "[ . 1 . 2]" 1
981 1 100 LYS HA 1 125 LEU QD 5.000 2.500 6.000 3.911 3.414 4.497 . 0 0 "[ . 1 . 2]" 1
982 1 100 LYS QB 1 125 LEU QD 2.500 . 3.500 3.334 2.802 3.507 0.007 7 0 "[ . 1 . 2]" 1
983 1 100 LYS QG 1 125 LEU QD 3.500 . 4.500 3.952 3.123 4.501 0.001 14 0 "[ . 1 . 2]" 1
984 1 100 LYS H 1 125 LEU QD 5.000 2.500 6.000 3.825 3.483 4.352 . 0 0 "[ . 1 . 2]" 1
985 1 101 ARG HA 1 102 HIS H 3.500 . 4.500 3.536 3.482 3.575 . 0 0 "[ . 1 . 2]" 1
986 1 101 ARG HB3 1 102 HIS H 3.500 . 4.500 2.750 2.005 3.141 . 0 0 "[ . 1 . 2]" 1
987 1 101 ARG HB2 1 102 HIS H 3.500 . 4.500 3.361 2.778 3.868 . 0 0 "[ . 1 . 2]" 1
988 1 101 ARG QG 1 102 HIS H 5.000 2.500 6.000 4.222 3.362 4.479 . 0 0 "[ . 1 . 2]" 1
989 1 101 ARG H 1 102 HIS H 2.500 . 3.500 2.574 2.265 3.098 . 0 0 "[ . 1 . 2]" 1
990 1 101 ARG H 1 103 VAL H 3.500 . 4.500 3.839 3.520 4.322 . 0 0 "[ . 1 . 2]" 1
991 1 101 ARG HA 1 104 ARG QB 2.500 . 3.500 3.265 2.370 3.508 0.008 1 0 "[ . 1 . 2]" 1
992 1 101 ARG HA 1 104 ARG H 3.500 . 4.500 3.602 3.001 3.811 . 0 0 "[ . 1 . 2]" 1
993 1 101 ARG HA 1 105 GLN H 5.000 2.500 6.000 3.730 2.789 5.021 . 0 0 "[ . 1 . 2]" 1
994 1 102 HIS HA 1 103 VAL H 3.500 . 4.500 3.303 2.998 3.489 . 0 0 "[ . 1 . 2]" 1
995 1 102 HIS QB 1 103 VAL H 5.000 2.500 6.000 3.754 2.919 4.030 . 0 0 "[ . 1 . 2]" 1
996 1 102 HIS HD2 1 103 VAL H 5.000 2.500 6.000 4.929 4.246 5.619 . 0 0 "[ . 1 . 2]" 1
997 1 102 HIS H 1 103 VAL H 2.500 . 3.500 2.630 2.549 2.841 . 0 0 "[ . 1 . 2]" 1
998 1 102 HIS HA 1 105 GLN QB 3.500 . 4.500 3.810 2.247 4.501 0.001 5 0 "[ . 1 . 2]" 1
999 1 102 HIS HA 1 105 GLN H 5.000 2.500 6.000 4.083 3.122 4.787 . 0 0 "[ . 1 . 2]" 1
1000 1 103 VAL HA 1 104 ARG H 3.500 . 4.500 3.523 3.472 3.563 . 0 0 "[ . 1 . 2]" 1
1001 1 103 VAL HB 1 104 ARG H 2.500 . 3.500 2.677 2.372 2.965 . 0 0 "[ . 1 . 2]" 1
1002 1 103 VAL MG1 1 104 ARG H 3.500 . 4.500 3.672 3.406 3.827 . 0 0 "[ . 1 . 2]" 1
1003 1 103 VAL MG2 1 104 ARG H 3.500 . 4.500 3.730 3.644 3.830 . 0 0 "[ . 1 . 2]" 1
1004 1 103 VAL H 1 104 ARG H 2.500 . 3.500 2.203 1.949 2.626 . 0 0 "[ . 1 . 2]" 1
1005 1 103 VAL HA 1 105 GLN H 5.000 2.500 6.000 4.769 3.989 5.400 . 0 0 "[ . 1 . 2]" 1
1006 1 103 VAL HA 1 106 SER QB 3.500 . 4.500 2.985 2.174 3.944 . 0 0 "[ . 1 . 2]" 1
1007 1 103 VAL HA 1 106 SER H 5.000 2.500 6.000 4.122 3.696 4.938 . 0 0 "[ . 1 . 2]" 1
1008 1 103 VAL MG1 1 113 MET ME 2.500 . 3.500 2.977 2.250 3.498 . 0 0 "[ . 1 . 2]" 1
1009 1 103 VAL HB 1 121 TRP HD1 5.000 2.500 6.000 4.224 3.309 4.994 . 0 0 "[ . 1 . 2]" 1
1010 1 103 VAL HB 1 121 TRP HE1 3.500 . 4.500 4.003 3.079 4.482 . 0 0 "[ . 1 . 2]" 1
1011 1 103 VAL MG1 1 121 TRP HD1 3.500 . 4.500 2.813 1.994 3.728 0.006 15 0 "[ . 1 . 2]" 1
1012 1 103 VAL MG1 1 121 TRP HE1 3.500 . 4.500 3.167 2.333 4.068 . 0 0 "[ . 1 . 2]" 1
1013 1 103 VAL MG1 1 121 TRP HZ2 5.000 2.500 6.000 5.164 4.465 5.820 . 0 0 "[ . 1 . 2]" 1
1014 1 103 VAL MG2 1 121 TRP HD1 3.500 . 4.500 3.553 2.385 4.091 . 0 0 "[ . 1 . 2]" 1
1015 1 103 VAL MG2 1 121 TRP HE1 2.500 . 3.500 2.209 1.866 2.777 . 0 0 "[ . 1 . 2]" 1
1016 1 103 VAL MG2 1 121 TRP HZ2 3.500 . 4.500 3.832 2.877 4.238 . 0 0 "[ . 1 . 2]" 1
1017 1 103 VAL H 1 121 TRP HE1 5.000 2.500 6.000 5.750 4.995 6.007 0.007 16 0 "[ . 1 . 2]" 1
1018 1 104 ARG HA 1 105 GLN H 3.500 . 4.500 3.535 3.423 3.570 . 0 0 "[ . 1 . 2]" 1
1019 1 104 ARG QB 1 105 GLN H 2.500 . 3.500 2.559 2.186 3.082 . 0 0 "[ . 1 . 2]" 1
1020 1 104 ARG H 1 105 GLN H 2.500 . 3.500 2.508 2.288 2.863 . 0 0 "[ . 1 . 2]" 1
1021 1 104 ARG HA 1 106 SER H 3.500 . 4.500 4.009 3.495 4.406 . 0 0 "[ . 1 . 2]" 1
1022 1 105 GLN HA 1 106 SER H 3.500 . 4.500 3.114 2.619 3.520 . 0 0 "[ . 1 . 2]" 1
1023 1 105 GLN HB3 1 106 SER H 3.500 . 4.500 3.779 2.805 4.527 0.027 18 0 "[ . 1 . 2]" 1
1024 1 105 GLN HB2 1 106 SER H 3.500 . 4.500 3.995 3.243 4.504 0.004 17 0 "[ . 1 . 2]" 1
1025 1 105 GLN H 1 106 SER H 3.500 . 4.500 2.797 2.494 3.431 . 0 0 "[ . 1 . 2]" 1
1026 1 108 CYS HA 1 109 LEU H 2.500 . 3.500 3.091 2.157 3.536 0.036 5 0 "[ . 1 . 2]" 1
1027 1 108 CYS QB 1 109 LEU H 5.000 2.500 6.000 3.455 2.501 4.054 . 0 0 "[ . 1 . 2]" 1
1028 1 109 LEU HA 1 110 GLN H 3.500 . 4.500 3.168 2.199 3.563 . 0 0 "[ . 1 . 2]" 1
1029 1 109 LEU QB 1 110 GLN H 3.500 . 4.500 3.130 2.120 3.914 . 0 0 "[ . 1 . 2]" 1
1030 1 109 LEU QD 1 110 GLN H 3.500 . 4.500 3.920 2.228 4.505 0.005 6 0 "[ . 1 . 2]" 1
1031 1 109 LEU H 1 110 GLN H 2.500 . 3.500 2.570 1.940 3.519 0.019 19 0 "[ . 1 . 2]" 1
1032 1 110 GLN HA 1 111 ASP H 2.500 . 3.500 3.211 2.141 3.551 0.051 14 0 "[ . 1 . 2]" 1
1033 1 110 GLN QB 1 111 ASP H 2.500 . 3.500 2.816 1.929 3.502 0.002 15 0 "[ . 1 . 2]" 1
1034 1 110 GLN H 1 111 ASP H 3.500 . 4.500 3.019 2.257 4.526 0.026 10 0 "[ . 1 . 2]" 1
1035 1 111 ASP HA 1 112 LYS H 3.500 . 4.500 3.235 2.600 3.570 . 0 0 "[ . 1 . 2]" 1
1036 1 111 ASP QB 1 112 LYS H 3.500 . 4.500 3.256 2.175 4.050 . 0 0 "[ . 1 . 2]" 1
1037 1 111 ASP H 1 112 LYS H 2.500 . 3.500 2.497 1.983 3.541 0.041 19 0 "[ . 1 . 2]" 1
1038 1 112 LYS HA 1 113 MET H 3.500 . 4.500 3.096 2.245 3.570 . 0 0 "[ . 1 . 2]" 1
1039 1 112 LYS QB 1 113 MET H 3.500 . 4.500 3.291 2.176 4.038 . 0 0 "[ . 1 . 2]" 1
1040 1 112 LYS H 1 113 MET H 2.500 . 3.500 2.550 1.991 3.512 0.012 14 0 "[ . 1 . 2]" 1
1041 1 113 MET HA 1 114 THR H 2.500 . 3.500 2.505 2.142 3.463 . 0 0 "[ . 1 . 2]" 1
1042 1 113 MET QB 1 114 THR H 3.500 . 4.500 3.653 2.918 4.048 . 0 0 "[ . 1 . 2]" 1
1043 1 113 MET H 1 114 THR H 5.000 2.500 6.000 3.557 2.493 4.584 0.007 15 0 "[ . 1 . 2]" 1
1044 1 113 MET HA 1 117 GLU QB 5.000 2.500 6.000 3.381 2.535 4.212 . 0 0 "[ . 1 . 2]" 1
1045 1 113 MET ME 1 118 SER HA 2.000 . 2.800 2.620 2.021 2.800 0.000 7 0 "[ . 1 . 2]" 1
1046 1 113 MET ME 1 118 SER QB 3.500 . 4.500 3.504 2.607 4.047 . 0 0 "[ . 1 . 2]" 1
1047 1 113 MET ME 1 121 TRP HB2 3.500 . 4.500 3.126 2.525 3.904 . 0 0 "[ . 1 . 2]" 1
1048 1 113 MET ME 1 121 TRP HD1 3.500 . 4.500 3.636 2.813 4.502 0.002 15 0 "[ . 1 . 2]" 1
1049 1 113 MET ME 1 121 TRP HE1 5.000 2.500 6.000 4.828 4.082 5.717 . 0 0 "[ . 1 . 2]" 1
1050 1 114 THR H 1 118 SER H 5.000 2.500 6.000 5.211 4.151 6.006 0.006 2 0 "[ . 1 . 2]" 1
1051 1 115 ALA HA 1 116 LYS H 3.500 . 4.500 3.221 2.689 3.572 . 0 0 "[ . 1 . 2]" 1
1052 1 115 ALA MB 1 116 LYS H 2.500 . 3.500 2.282 1.842 2.741 . 0 0 "[ . 1 . 2]" 1
1053 1 116 LYS QB 1 117 GLU H 2.500 . 3.500 3.002 2.228 3.508 0.008 10 0 "[ . 1 . 2]" 1
1054 1 116 LYS H 1 117 GLU H 3.500 . 4.500 2.649 2.315 2.946 . 0 0 "[ . 1 . 2]" 1
1055 1 116 LYS H 1 118 SER H 5.000 2.500 6.000 4.479 3.884 5.071 . 0 0 "[ . 1 . 2]" 1
1056 1 117 GLU HA 1 118 SER H 3.500 . 4.500 3.541 3.492 3.572 . 0 0 "[ . 1 . 2]" 1
1057 1 117 GLU QB 1 118 SER H 3.500 . 4.500 2.535 2.201 2.826 . 0 0 "[ . 1 . 2]" 1
1058 1 117 GLU QG 1 118 SER H 3.500 . 4.500 4.245 4.025 4.452 . 0 0 "[ . 1 . 2]" 1
1059 1 117 GLU H 1 118 SER H 3.500 . 4.500 2.770 2.419 3.027 . 0 0 "[ . 1 . 2]" 1
1060 1 117 GLU HA 1 119 ALA H 3.500 . 4.500 4.269 4.126 4.396 . 0 0 "[ . 1 . 2]" 1
1061 1 117 GLU H 1 119 ALA H 3.500 . 4.500 4.013 3.805 4.248 . 0 0 "[ . 1 . 2]" 1
1062 1 118 SER HA 1 119 ALA H 3.500 . 4.500 3.501 3.485 3.534 . 0 0 "[ . 1 . 2]" 1
1063 1 118 SER QB 1 119 ALA H 3.500 . 4.500 2.991 2.635 3.542 . 0 0 "[ . 1 . 2]" 1
1064 1 118 SER H 1 119 ALA H 2.500 . 3.500 2.589 2.372 2.733 . 0 0 "[ . 1 . 2]" 1
1065 1 118 SER H 1 120 ILE H 5.000 2.500 6.000 4.283 4.025 4.721 . 0 0 "[ . 1 . 2]" 1
1066 1 118 SER HA 1 121 TRP HB3 3.500 . 4.500 2.718 2.312 3.010 . 0 0 "[ . 1 . 2]" 1
1067 1 118 SER HA 1 121 TRP HB2 3.500 . 4.500 3.348 3.078 3.648 . 0 0 "[ . 1 . 2]" 1
1068 1 118 SER HA 1 121 TRP HD1 3.500 . 4.500 4.275 3.744 4.503 0.003 18 0 "[ . 1 . 2]" 1
1069 1 118 SER HA 1 121 TRP H 3.500 . 4.500 3.394 3.171 3.612 . 0 0 "[ . 1 . 2]" 1
1070 1 118 SER QB 1 121 TRP HD1 5.000 2.500 6.000 5.041 4.175 5.869 . 0 0 "[ . 1 . 2]" 1
1071 1 118 SER HA 1 122 LEU H 3.500 . 4.500 4.022 3.492 4.444 . 0 0 "[ . 1 . 2]" 1
1072 1 119 ALA HA 1 120 ILE H 3.500 . 4.500 3.535 3.501 3.570 . 0 0 "[ . 1 . 2]" 1
1073 1 119 ALA MB 1 120 ILE H 2.000 . 2.800 2.593 2.232 2.800 . 0 0 "[ . 1 . 2]" 1
1074 1 119 ALA H 1 121 TRP H 5.000 2.500 6.000 4.106 3.921 4.322 . 0 0 "[ . 1 . 2]" 1
1075 1 119 ALA HA 1 122 LEU HB2 3.500 . 4.500 3.330 2.881 3.829 . 0 0 "[ . 1 . 2]" 1
1076 1 120 ILE HA 1 121 TRP H 3.500 . 4.500 3.528 3.491 3.555 . 0 0 "[ . 1 . 2]" 1
1077 1 120 ILE HB 1 121 TRP H 2.500 . 3.500 2.650 2.433 2.875 . 0 0 "[ . 1 . 2]" 1
1078 1 120 ILE MG 1 121 TRP H 3.500 . 4.500 3.655 3.468 3.799 . 0 0 "[ . 1 . 2]" 1
1079 1 120 ILE H 1 121 TRP H 2.500 . 3.500 2.560 2.451 2.754 . 0 0 "[ . 1 . 2]" 1
1080 1 120 ILE H 1 122 LEU H 3.500 . 4.500 4.341 3.910 4.505 0.005 13 0 "[ . 1 . 2]" 1
1081 1 120 ILE HA 1 123 ALA MB 2.000 . 2.800 2.208 2.033 2.485 . 0 0 "[ . 1 . 2]" 1
1082 1 120 ILE HA 1 123 ALA H 3.500 . 4.500 3.408 3.198 3.575 . 0 0 "[ . 1 . 2]" 1
1083 1 121 TRP HA 1 122 LEU H 3.500 . 4.500 3.556 3.516 3.572 . 0 0 "[ . 1 . 2]" 1
1084 1 121 TRP HB3 1 122 LEU H 3.500 . 4.500 2.401 2.164 2.725 . 0 0 "[ . 1 . 2]" 1
1085 1 121 TRP HB2 1 122 LEU H 3.500 . 4.500 3.769 3.629 3.941 . 0 0 "[ . 1 . 2]" 1
1086 1 121 TRP HD1 1 122 LEU HA 3.500 . 4.500 4.293 3.943 4.501 0.001 19 0 "[ . 1 . 2]" 1
1087 1 121 TRP HD1 1 122 LEU QD 3.500 . 4.500 2.676 2.106 3.318 . 0 0 "[ . 1 . 2]" 1
1088 1 121 TRP HD1 1 122 LEU H 3.500 . 4.500 3.986 3.566 4.436 . 0 0 "[ . 1 . 2]" 1
1089 1 121 TRP HE1 1 122 LEU QD 3.500 . 4.500 4.092 3.717 4.345 . 0 0 "[ . 1 . 2]" 1
1090 1 121 TRP HE3 1 122 LEU H 5.000 2.500 6.000 5.468 5.274 5.705 . 0 0 "[ . 1 . 2]" 1
1091 1 121 TRP H 1 122 LEU H 2.500 . 3.500 2.794 2.617 2.923 . 0 0 "[ . 1 . 2]" 1
1092 1 121 TRP HA 1 123 ALA H 5.000 2.500 6.000 4.335 4.238 4.552 . 0 0 "[ . 1 . 2]" 1
1093 1 121 TRP H 1 123 ALA H 3.500 . 4.500 3.890 3.789 4.041 . 0 0 "[ . 1 . 2]" 1
1094 1 121 TRP HA 1 124 VAL HB 3.500 . 4.500 3.792 3.438 4.144 . 0 0 "[ . 1 . 2]" 1
1095 1 121 TRP HA 1 124 VAL MG2 3.500 . 4.500 3.333 2.668 3.861 . 0 0 "[ . 1 . 2]" 1
1096 1 121 TRP HE3 1 124 VAL HB 5.000 2.500 6.000 4.441 4.167 4.916 . 0 0 "[ . 1 . 2]" 1
1097 1 121 TRP HE3 1 124 VAL MG1 5.000 2.500 6.000 5.130 4.914 5.606 . 0 0 "[ . 1 . 2]" 1
1098 1 121 TRP HE3 1 124 VAL MG2 3.500 . 4.500 4.179 3.787 4.501 0.001 13 0 "[ . 1 . 2]" 1
1099 1 121 TRP HD1 1 125 LEU QD 3.500 . 4.500 3.624 3.040 4.157 . 0 0 "[ . 1 . 2]" 1
1100 1 121 TRP HE1 1 125 LEU QD 3.500 . 4.500 2.950 2.601 3.332 . 0 0 "[ . 1 . 2]" 1
1101 1 121 TRP HH2 1 125 LEU QD 3.500 . 4.500 3.565 3.012 4.298 . 0 0 "[ . 1 . 2]" 1
1102 1 121 TRP HZ2 1 125 LEU QD 2.500 . 3.500 2.978 2.606 3.294 . 0 0 "[ . 1 . 2]" 1
1103 1 121 TRP HZ2 1 125 LEU MD1 3.500 . 4.500 3.153 2.650 3.590 . 0 0 "[ . 1 . 2]" 1
1104 1 121 TRP HZ2 1 125 LEU MD2 3.500 . 4.500 3.791 3.137 4.503 0.003 16 0 "[ . 1 . 2]" 1
1105 1 121 TRP HZ3 1 125 LEU QD 5.000 2.500 6.000 3.968 3.328 4.993 . 0 0 "[ . 1 . 2]" 1
1106 1 122 LEU HA 1 123 ALA H 3.500 . 4.500 3.492 3.477 3.523 . 0 0 "[ . 1 . 2]" 1
1107 1 122 LEU HB2 1 123 ALA HA 5.000 2.500 6.000 4.538 4.185 4.793 . 0 0 "[ . 1 . 2]" 1
1108 1 122 LEU HB2 1 123 ALA H 3.500 . 4.500 2.956 2.835 3.075 . 0 0 "[ . 1 . 2]" 1
1109 1 122 LEU H 1 123 ALA H 2.500 . 3.500 2.528 2.387 2.676 . 0 0 "[ . 1 . 2]" 1
1110 1 122 LEU HA 1 125 LEU QB 3.500 . 4.500 2.468 2.167 2.855 . 0 0 "[ . 1 . 2]" 1
1111 1 122 LEU HA 1 125 LEU QD 2.500 . 3.500 2.877 2.062 3.313 . 0 0 "[ . 1 . 2]" 1
1112 1 122 LEU HA 1 125 LEU H 3.500 . 4.500 3.472 3.157 3.693 . 0 0 "[ . 1 . 2]" 1
1113 1 122 LEU QD 1 125 LEU QD 2.500 . 3.500 3.185 2.747 3.499 . 0 0 "[ . 1 . 2]" 1
1114 1 122 LEU HA 1 126 ASN H 5.000 2.500 6.000 4.025 3.666 4.366 . 0 0 "[ . 1 . 2]" 1
1115 1 123 ALA HA 1 124 VAL H 3.500 . 4.500 3.559 3.528 3.571 . 0 0 "[ . 1 . 2]" 1
1116 1 123 ALA MB 1 124 VAL H 2.500 . 3.500 2.437 2.135 2.670 . 0 0 "[ . 1 . 2]" 1
1117 1 123 ALA H 1 124 VAL MG2 3.500 . 4.500 4.138 3.977 4.290 . 0 0 "[ . 1 . 2]" 1
1118 1 123 ALA H 1 124 VAL H 2.500 . 3.500 2.788 2.674 2.957 . 0 0 "[ . 1 . 2]" 1
1119 1 123 ALA H 1 125 LEU H 3.500 . 4.500 4.090 3.815 4.386 . 0 0 "[ . 1 . 2]" 1
1120 1 123 ALA HA 1 126 ASN HB3 3.500 . 4.500 4.351 3.966 4.503 0.003 15 0 "[ . 1 . 2]" 1
1121 1 123 ALA HA 1 126 ASN HB2 2.500 . 3.500 2.910 2.517 3.234 . 0 0 "[ . 1 . 2]" 1
1122 1 123 ALA HA 1 126 ASN QD 3.500 . 4.500 3.779 3.317 4.294 . 0 0 "[ . 1 . 2]" 1
1123 1 123 ALA HA 1 126 ASN H 3.500 . 4.500 3.613 3.473 3.752 . 0 0 "[ . 1 . 2]" 1
1124 1 123 ALA HA 1 127 GLN H 5.000 2.500 6.000 4.219 3.716 4.963 . 0 0 "[ . 1 . 2]" 1
1125 1 124 VAL HA 1 125 LEU H 3.500 . 4.500 3.532 3.489 3.565 . 0 0 "[ . 1 . 2]" 1
1126 1 124 VAL HB 1 125 LEU H 2.500 . 3.500 2.616 2.367 2.888 . 0 0 "[ . 1 . 2]" 1
1127 1 124 VAL MG1 1 125 LEU H 3.500 . 4.500 3.623 3.426 3.791 . 0 0 "[ . 1 . 2]" 1
1128 1 124 VAL H 1 125 LEU QD 5.000 2.500 6.000 4.436 3.784 4.997 . 0 0 "[ . 1 . 2]" 1
1129 1 124 VAL H 1 125 LEU H 2.500 . 3.500 2.667 2.437 2.821 . 0 0 "[ . 1 . 2]" 1
1130 1 124 VAL H 1 126 ASN H 5.000 2.500 6.000 4.066 3.833 4.381 . 0 0 "[ . 1 . 2]" 1
1131 1 124 VAL HA 1 127 GLN QB 3.500 . 4.500 2.465 2.061 2.907 . 0 0 "[ . 1 . 2]" 1
1132 1 124 VAL HA 1 127 GLN H 2.500 . 3.500 3.360 3.097 3.508 0.008 11 0 "[ . 1 . 2]" 1
1133 1 125 LEU HA 1 126 ASN H 3.500 . 4.500 3.505 3.487 3.553 . 0 0 "[ . 1 . 2]" 1
1134 1 125 LEU QB 1 126 ASN H 2.500 . 3.500 2.794 2.586 2.901 . 0 0 "[ . 1 . 2]" 1
1135 1 125 LEU QD 1 126 ASN H 3.500 . 4.500 4.115 3.901 4.237 . 0 0 "[ . 1 . 2]" 1
1136 1 125 LEU HG 1 126 ASN H 5.000 2.500 6.000 4.935 4.617 5.144 . 0 0 "[ . 1 . 2]" 1
1137 1 125 LEU H 1 126 ASN H 3.500 . 4.500 2.604 2.480 2.756 . 0 0 "[ . 1 . 2]" 1
1138 1 125 LEU HA 1 127 GLN H 5.000 2.500 6.000 4.266 3.674 4.752 . 0 0 "[ . 1 . 2]" 1
1139 1 125 LEU HA 1 128 GLU QB 5.000 2.500 6.000 3.841 2.718 4.736 . 0 0 "[ . 1 . 2]" 1
1140 1 125 LEU HA 1 128 GLU H 3.500 . 4.500 4.027 3.649 4.398 . 0 0 "[ . 1 . 2]" 1
1141 1 126 ASN HA 1 127 GLN H 3.500 . 4.500 3.450 3.179 3.547 . 0 0 "[ . 1 . 2]" 1
1142 1 126 ASN HB3 1 127 GLN HA 5.000 2.500 6.000 4.243 4.011 4.682 . 0 0 "[ . 1 . 2]" 1
1143 1 126 ASN HB3 1 127 GLN H 3.500 . 4.500 3.654 3.193 4.319 . 0 0 "[ . 1 . 2]" 1
1144 1 126 ASN HB2 1 127 GLN H 3.500 . 4.500 3.133 2.808 3.866 . 0 0 "[ . 1 . 2]" 1
1145 1 126 ASN H 1 127 GLN H 2.500 . 3.500 2.392 2.277 2.578 . 0 0 "[ . 1 . 2]" 1
1146 1 126 ASN HA 1 128 GLU H 5.000 2.500 6.000 3.896 3.567 4.407 . 0 0 "[ . 1 . 2]" 1
1147 1 126 ASN H 1 128 GLU H 5.000 2.500 6.000 4.141 3.697 4.628 . 0 0 "[ . 1 . 2]" 1
1148 1 126 ASN HA 1 129 GLU QB 3.500 . 4.500 3.357 2.407 4.135 . 0 0 "[ . 1 . 2]" 1
1149 1 126 ASN HA 1 129 GLU H 3.500 . 4.500 3.489 3.078 3.944 . 0 0 "[ . 1 . 2]" 1
1150 1 127 GLN HA 1 128 GLU H 3.500 . 4.500 3.487 3.439 3.566 . 0 0 "[ . 1 . 2]" 1
1151 1 127 GLN QB 1 128 GLU H 2.500 . 3.500 2.818 2.325 3.012 . 0 0 "[ . 1 . 2]" 1
1152 1 127 GLN H 1 128 GLU H 2.500 . 3.500 2.643 2.252 2.908 . 0 0 "[ . 1 . 2]" 1
1153 1 127 GLN HA 1 129 GLU H 5.000 2.500 6.000 4.158 3.643 4.730 . 0 0 "[ . 1 . 2]" 1
1154 1 127 GLN H 1 129 GLU H 3.500 . 4.500 4.293 4.018 4.498 . 0 0 "[ . 1 . 2]" 1
1155 1 127 GLN HA 1 130 SER QB 2.500 . 3.500 2.776 1.965 3.502 0.002 6 0 "[ . 1 . 2]" 1
1156 1 127 GLN HA 1 130 SER H 3.500 . 4.500 3.360 2.954 3.729 . 0 0 "[ . 1 . 2]" 1
1157 1 128 GLU HA 1 129 GLU H 3.500 . 4.500 3.512 3.406 3.557 . 0 0 "[ . 1 . 2]" 1
1158 1 128 GLU QB 1 129 GLU H 2.500 . 3.500 2.739 2.392 3.115 . 0 0 "[ . 1 . 2]" 1
1159 1 128 GLU H 1 129 GLU H 2.500 . 3.500 2.645 2.438 2.775 . 0 0 "[ . 1 . 2]" 1
1160 1 128 GLU HA 1 130 SER H 3.500 . 4.500 4.176 3.561 4.496 . 0 0 "[ . 1 . 2]" 1
1161 1 128 GLU H 1 130 SER H 5.000 2.500 6.000 4.036 3.743 4.330 . 0 0 "[ . 1 . 2]" 1
1162 1 128 GLU HA 1 131 LEU QB 3.500 . 4.500 3.432 2.483 4.377 . 0 0 "[ . 1 . 2]" 1
1163 1 128 GLU HA 1 131 LEU H 3.500 . 4.500 3.715 3.105 4.120 . 0 0 "[ . 1 . 2]" 1
1164 1 129 GLU QB 1 130 SER H 2.500 . 3.500 2.899 2.705 3.504 0.004 12 0 "[ . 1 . 2]" 1
1165 1 129 GLU H 1 130 SER H 2.500 . 3.500 2.513 2.263 2.714 . 0 0 "[ . 1 . 2]" 1
1166 1 129 GLU HA 1 131 LEU H 5.000 2.500 6.000 4.259 3.610 5.384 . 0 0 "[ . 1 . 2]" 1
1167 1 129 GLU H 1 131 LEU H 5.000 2.500 6.000 4.221 3.936 5.021 . 0 0 "[ . 1 . 2]" 1
1168 1 129 GLU HA 1 132 ILE MD 2.500 . 3.500 2.750 1.891 3.503 0.003 4 0 "[ . 1 . 2]" 1
1169 1 130 SER HA 1 131 LEU H 3.500 . 4.500 3.503 3.419 3.569 . 0 0 "[ . 1 . 2]" 1
1170 1 130 SER QB 1 131 LEU H 2.500 . 3.500 2.795 2.148 3.509 0.009 7 0 "[ . 1 . 2]" 1
1171 1 130 SER H 1 131 LEU H 2.500 . 3.500 2.609 2.260 3.002 . 0 0 "[ . 1 . 2]" 1
1172 1 131 LEU HA 1 132 ILE H 3.500 . 4.500 3.285 2.207 3.571 . 0 0 "[ . 1 . 2]" 1
1173 1 131 LEU QB 1 132 ILE H 3.500 . 4.500 2.943 2.096 4.023 . 0 0 "[ . 1 . 2]" 1
1174 1 131 LEU HG 1 132 ILE H 3.500 . 4.500 3.913 2.000 4.500 0.000 5 0 "[ . 1 . 2]" 1
1175 1 132 ILE HA 1 133 GLN H 3.500 . 4.500 3.568 3.561 3.572 . 0 0 "[ . 1 . 2]" 1
1176 1 132 ILE HB 1 133 GLN QG 2.500 . 3.500 3.131 2.742 3.495 . 0 0 "[ . 1 . 2]" 1
1177 1 132 ILE HB 1 133 GLN H 2.500 . 3.500 2.052 1.934 2.402 . 0 0 "[ . 1 . 2]" 1
1178 1 132 ILE QG 1 133 GLN H 5.000 2.500 6.000 3.835 3.632 4.158 . 0 0 "[ . 1 . 2]" 1
1179 1 132 ILE MG 1 133 GLN H 2.500 . 3.500 3.138 2.993 3.503 0.003 10 0 "[ . 1 . 2]" 1
1180 1 132 ILE H 1 133 GLN H 2.500 . 3.500 2.809 2.565 3.052 . 0 0 "[ . 1 . 2]" 1
1181 1 133 GLN HA 1 134 GLN H 2.500 . 3.500 2.751 2.178 3.548 0.048 20 0 "[ . 1 . 2]" 1
1182 1 133 GLN HB3 1 134 GLN H 2.500 . 3.500 2.562 1.983 3.501 0.001 11 0 "[ . 1 . 2]" 1
1183 1 133 GLN QG 1 134 GLN H 5.000 2.500 6.000 3.946 3.320 4.373 . 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 74
_Distance_constraint_stats_list.Viol_count 1440
_Distance_constraint_stats_list.Viol_total 421962.219
_Distance_constraint_stats_list.Viol_max 33.596
_Distance_constraint_stats_list.Viol_rms 8.9995
_Distance_constraint_stats_list.Viol_average_all_restraints 14.2555
_Distance_constraint_stats_list.Viol_average_violations_only 14.6515
_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 31 CYS 726.093 19.765 1 20 [+******************-]
1 33 PRO 428.366 22.338 6 20 [*****+**-***********]
1 34 PRO 1448.205 26.745 6 20 [***-*+**************]
1 36 ARG 2121.992 31.217 1 20 [+**-****************]
1 38 TYR 2437.535 33.596 17 20 [************-***+***]
1 49 TRP 1230.417 17.194 13 20 [****-*******+*******]
1 51 THR 1794.279 24.635 17 20 [-***************+***]
1 72 LYS 467.605 12.863 10 20 [*********+********-*]
1 74 HIS 1206.947 17.932 10 20 [*********+********-*]
1 75 ASP 1069.576 29.105 7 20 [******+************-]
1 76 LEU 629.878 11.160 10 20 [*-*******+**********]
1 77 LYS 1979.929 29.872 7 20 [******+************-]
1 78 LYS 291.332 8.397 15 20 [**-***********+*****]
1 82 VAL 291.332 8.397 15 20 [**-***********+*****]
1 84 VAL 629.878 11.160 10 20 [*-*******+**********]
1 86 THR 1206.947 17.932 10 20 [*********+********-*]
1 87 ALA 1012.159 16.053 19 20 [****-*************+*]
1 88 VAL 467.605 12.863 10 20 [*********+********-*]
1 89 ILE 606.002 9.944 20 20 [-******************+]
1 91 HIS 536.856 9.442 12 20 [***********+-*******]
1 96 ILE 536.856 9.442 12 20 [***********+-*******]
1 97 ALA 1794.279 24.635 17 20 [-***************+***]
1 98 LYS 606.002 9.944 20 20 [-******************+]
1 99 ILE 1230.417 17.194 13 20 [****-*******+*******]
1 100 LYS 1012.159 16.053 19 20 [****-*************+*]
1 102 HIS 41.894 3.131 12 19 "[******** **+**-*****]"
1 103 VAL 126.555 4.724 3 19 "[**+*** ********-****]"
1 104 ARG 184.858 6.201 12 20 [******-****+********]
1 106 SER 98.807 4.893 14 20 [*************+-*****]
1 107 LYS 323.076 7.762 3 20 [**+************-****]
1 108 CYS 278.253 6.337 10 20 [*-*******+**********]
1 109 LEU 56.913 4.893 14 17 "[********-****+. * **]"
1 111 ASP 93.395 6.337 10 20 [*-*******+**********]
1 112 LYS 196.521 7.762 3 20 [**+***********-*****]
1 115 ALA 1230.380 33.596 17 20 [************-***+***]
1 116 LYS 1207.156 31.539 1 20 [+***********-*******]
1 118 SER 2121.992 31.217 1 20 [+**-****************]
1 119 ALA 1376.521 23.792 15 20 [******-*******+*****]
1 120 ILE 1876.571 26.745 6 20 [*****+**-***********]
1 121 TRP 638.462 18.345 3 20 [*-+*****************]
1 122 LEU 726.093 19.765 1 20 [+******************-]
1 123 ALA 395.812 11.580 16 20 [******-********+****]
1 129 GLU 395.812 11.580 16 20 [******-********+****]
1 130 SER 2122.536 29.872 7 20 [******+************-]
1 131 LEU 638.462 18.345 3 20 [*-+*****************]
1 132 ILE 926.968 27.405 7 20 [******+************-]
1 133 GLN 1376.521 23.792 15 20 [******-*******+*****]
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 33 PRO N 1 120 ILE O 3.300 2.500 3.500 24.918 23.812 25.838 22.338 6 20 [*****+**-***********] 2
2 1 34 PRO N 1 120 ILE O 3.300 2.500 3.500 25.039 24.357 25.714 22.214 13 20 [***-********+*******] 2
3 1 36 ARG N 1 118 SER O 3.300 2.500 3.500 27.713 26.465 29.111 25.611 1 20 [+**-****************] 2
4 1 36 ARG H 1 118 SER O 2.300 . 2.500 27.347 25.774 28.771 26.271 1 20 [+**-****************] 2
5 1 38 TYR N 1 116 LYS O 3.300 2.500 3.500 33.503 32.459 34.382 30.882 1 20 [+***********-*******] 2
6 1 38 TYR H 1 116 LYS O 2.300 . 2.500 32.855 31.885 34.039 31.539 1 20 [+*******-***********] 2
7 1 49 TRP N 1 99 ILE O 3.300 2.500 3.500 17.853 16.836 18.342 14.842 13 20 [****-*******+*******] 2
8 1 49 TRP H 1 99 ILE O 2.300 . 2.500 18.231 17.275 18.845 16.345 13 20 [****-*******+*******] 2
9 1 51 THR N 1 97 ALA O 3.300 2.500 3.500 24.708 23.721 25.406 21.906 20 20 [-******************+] 2
10 1 51 THR H 1 97 ALA O 2.300 . 2.500 24.252 23.307 25.006 22.506 17 20 [-***************+***] 2
11 1 74 HIS N 1 86 THR O 3.300 2.500 3.500 19.084 16.462 20.108 16.608 10 20 [*********+********-*] 2
12 1 74 HIS H 1 86 THR O 2.300 . 2.500 19.364 16.823 20.432 17.932 10 20 [*********+********-*] 2
13 1 76 LEU N 1 84 VAL O 3.300 2.500 3.500 12.381 11.535 12.986 9.486 10 20 [*********+********-*] 2
14 1 76 LEU H 1 84 VAL O 2.300 . 2.500 12.746 11.107 13.660 11.160 10 20 [*********+********-*] 2
15 1 77 LYS N 1 130 SER O 3.300 2.500 3.500 29.358 25.243 32.131 28.631 7 20 [******+************-] 2
16 1 77 LYS H 1 130 SER O 2.300 . 2.500 29.290 25.079 32.372 29.872 7 20 [******+************-] 2
17 1 78 LYS N 1 82 VAL O 3.300 2.500 3.500 9.815 9.621 9.973 6.473 15 20 [**-***********+*****] 2
18 1 78 LYS H 1 82 VAL O 2.300 . 2.500 10.749 10.582 10.897 8.397 15 20 [**-***********+*****] 2
19 1 78 LYS O 1 82 VAL N 3.300 2.500 3.500 3.368 3.192 3.438 . 0 0 "[ . 1 . 2]" 2
20 1 78 LYS O 1 82 VAL H 2.300 . 2.500 2.466 2.332 2.513 0.013 3 0 "[ . 1 . 2]" 2
21 1 76 LEU O 1 84 VAL N 3.300 2.500 3.500 9.653 9.195 10.746 7.246 3 20 [*-+*****************] 2
22 1 76 LEU O 1 84 VAL H 2.300 . 2.500 8.714 8.260 9.856 7.356 3 20 [**+*************-***] 2
23 1 74 HIS O 1 86 THR N 3.300 2.500 3.500 17.303 14.824 18.118 14.618 13 20 [************+*****-*] 2
24 1 74 HIS O 1 86 THR H 2.300 . 2.500 16.597 14.160 17.489 14.989 13 20 [************+*****-*] 2
25 1 87 ALA N 1 100 LYS O 3.300 2.500 3.500 17.623 16.528 18.196 14.696 19 20 [****-*************+*] 2
26 1 87 ALA H 1 100 LYS O 2.300 . 2.500 17.982 16.746 18.553 16.053 19 20 [****-*************+*] 2
27 1 72 LYS O 1 88 VAL N 3.300 2.500 3.500 15.069 13.077 16.126 12.626 10 20 [*********+********-*] 2
28 1 72 LYS O 1 88 VAL H 2.300 . 2.500 14.311 12.340 15.363 12.863 10 20 [*********+********-*] 2
29 1 89 ILE N 1 98 LYS O 3.300 2.500 3.500 11.197 10.146 11.681 8.181 20 20 [****-**************+] 2
30 1 89 ILE H 1 98 LYS O 2.300 . 2.500 11.899 10.777 12.444 9.944 20 20 [****-**************+] 2
31 1 91 HIS N 1 96 ILE O 3.300 2.500 3.500 11.287 10.800 11.758 8.258 12 20 [***********+-*******] 2
32 1 91 HIS H 1 96 ILE O 2.300 . 2.500 11.408 10.827 11.942 9.442 12 20 [***********+-*******] 2
33 1 91 HIS O 1 96 ILE N 3.300 2.500 3.500 8.028 7.734 8.343 4.843 5 20 [****+*******-*******] 2
34 1 91 HIS O 1 96 ILE H 2.300 . 2.500 8.119 7.530 8.446 5.946 5 20 [****+*******-*******] 2
35 1 51 THR O 1 97 ALA N 3.300 2.500 3.500 26.400 25.246 27.060 23.560 17 20 [-***************+***] 2
36 1 51 THR O 1 97 ALA H 2.300 . 2.500 26.354 25.170 27.135 24.635 17 20 [-***************+***] 2
37 1 89 ILE O 1 98 LYS N 3.300 2.500 3.500 9.880 9.480 10.264 6.764 19 20 [-*****************+*] 2
38 1 89 ILE O 1 98 LYS H 2.300 . 2.500 9.324 8.886 9.848 7.348 19 20 [******-***********+*] 2
39 1 49 TRP O 1 99 ILE N 3.300 2.500 3.500 18.865 18.047 19.863 16.363 13 20 [-***********+*******] 2
40 1 49 TRP O 1 99 ILE H 2.300 . 2.500 18.573 17.809 19.694 17.194 13 20 [-***********+*******] 2
41 1 87 ALA O 1 100 LYS N 3.300 2.500 3.500 13.603 12.997 14.177 10.677 19 20 [****-*************+*] 2
42 1 87 ALA O 1 100 LYS H 2.300 . 2.500 13.400 12.943 14.026 11.526 19 20 [***********-******+*] 2
43 1 102 HIS O 1 106 SER N 3.300 2.500 3.500 4.112 2.978 5.359 1.859 12 12 "[*** **** 1 + *-* *2]" 2
44 1 102 HIS O 1 106 SER H 2.300 . 2.500 3.872 2.092 5.631 3.131 12 19 "[******** **+*******-]" 2
45 1 103 VAL O 1 107 LYS N 3.300 2.500 3.500 6.032 3.456 6.948 3.448 3 19 "[**+*** ********-****]" 2
46 1 103 VAL O 1 107 LYS H 2.300 . 2.500 6.293 2.573 7.224 4.724 3 19 "[**+*** ********-****]" 2
47 1 104 ARG O 1 108 CYS N 3.300 2.500 3.500 7.819 6.474 8.979 5.479 12 20 [******-****+********] 2
48 1 104 ARG O 1 108 CYS H 2.300 . 2.500 7.424 5.753 8.701 6.201 12 20 [*******-***+********] 2
49 1 106 SER O 1 109 LEU N 3.300 2.500 3.500 4.749 3.045 7.532 4.032 14 16 "[*** ****-****+. * **]" 2
50 1 106 SER O 1 109 LEU H 2.300 . 2.500 4.061 2.231 7.393 4.893 14 17 "[***-*********+. * **]" 2
51 1 108 CYS O 1 111 ASP N 3.300 2.500 3.500 5.551 3.815 8.438 4.938 10 19 "[* ****-**+**********]" 2
52 1 108 CYS O 1 111 ASP H 2.300 . 2.500 5.119 3.193 8.837 6.337 10 20 [*-*******+**********] 2
53 1 107 LYS O 1 112 LYS N 3.300 2.500 3.500 8.150 5.353 10.660 7.160 3 20 [**+***********-*****] 2
54 1 107 LYS O 1 112 LYS H 2.300 . 2.500 7.676 4.741 10.262 7.762 3 20 [**+***********-*****] 2
55 1 38 TYR O 1 115 ALA N 3.300 2.500 3.500 33.899 31.400 35.634 32.134 6 20 [*****+******-*******] 2
56 1 38 TYR O 1 115 ALA H 2.300 . 2.500 33.620 31.019 36.096 33.596 17 20 [************-***+***] 2
57 1 36 ARG O 1 118 SER N 3.300 2.500 3.500 31.247 30.249 32.976 29.476 1 20 [+************-******] 2
58 1 36 ARG O 1 118 SER H 2.300 . 2.500 31.793 30.635 33.717 31.217 1 20 [+************-******] 2
59 1 119 ALA N 1 133 GLN O 3.300 2.500 3.500 21.871 16.972 25.513 22.013 15 20 [******-*******+*****] 2
60 1 119 ALA H 1 133 GLN O 2.300 . 2.500 22.719 17.748 26.292 23.792 15 20 [******-*******+*****] 2
61 1 34 PRO O 1 120 ILE N 3.300 2.500 3.500 28.352 27.763 28.970 25.470 6 20 [***-*+**************] 2
62 1 34 PRO O 1 120 ILE H 2.300 . 2.500 28.519 27.896 29.245 26.745 6 20 [*****+******-*******] 2
63 1 121 TRP N 1 131 LEU O 3.300 2.500 3.500 18.508 16.558 19.956 16.456 3 20 [*-+*****************] 2
64 1 121 TRP H 1 131 LEU O 2.300 . 2.500 19.415 17.443 20.845 18.345 3 20 [*-+*****************] 2
65 1 31 CYS O 1 122 LEU N 3.300 2.500 3.500 20.859 19.834 21.730 18.230 13 20 [************+******-] 2
66 1 31 CYS O 1 122 LEU H 2.300 . 2.500 21.446 20.282 22.265 19.765 1 20 [+******************-] 2
67 1 123 ALA N 1 129 GLU O 3.300 2.500 3.500 12.415 11.457 13.129 9.629 16 20 [******-********+****] 2
68 1 123 ALA H 1 129 GLU O 2.300 . 2.500 13.376 12.393 14.080 11.580 16 20 [******-********+****] 2
69 1 75 ASP O 1 130 SER N 3.300 2.500 3.500 30.095 27.587 32.561 29.061 7 20 [******+************-] 2
70 1 75 ASP O 1 130 SER H 2.300 . 2.500 29.384 27.176 31.605 29.105 7 20 [******+************-] 2
71 1 77 LYS O 1 132 ILE N 3.300 2.500 3.500 26.302 20.628 30.604 27.104 7 20 [******+************-] 2
72 1 77 LYS O 1 132 ILE H 2.300 . 2.500 26.046 20.615 29.905 27.405 7 20 [******+************-] 2
73 1 119 ALA O 1 133 GLN N 3.300 2.500 3.500 18.459 15.918 21.232 17.732 15 20 [******-*******+*****] 2
74 1 119 ALA O 1 133 GLN H 2.300 . 2.500 17.777 15.452 21.137 18.637 15 20 [******-*******+*****] 2
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