NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374186 |
1e8b   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e8b
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 1540
_Distance_constraint_stats_list.Viol_count 129
_Distance_constraint_stats_list.Viol_total 2.480
_Distance_constraint_stats_list.Viol_max 0.294
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0192
_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 1 TYR 0.000 0.000 . 0 "[ ]"
1 2 GLY 0.000 0.000 . 0 "[ ]"
1 3 HIS 0.011 0.011 1 0 "[ ]"
1 4 CYS 0.000 0.000 . 0 "[ ]"
1 5 VAL 0.001 0.001 1 0 "[ ]"
1 6 THR 0.023 0.017 1 0 "[ ]"
1 7 ASP 0.004 0.004 1 0 "[ ]"
1 8 SER 0.000 0.000 . 0 "[ ]"
1 9 GLY 0.004 0.004 1 0 "[ ]"
1 10 VAL 0.036 0.018 1 0 "[ ]"
1 11 VAL 0.035 0.018 1 0 "[ ]"
1 12 TYR 0.037 0.016 1 0 "[ ]"
1 13 SER 0.066 0.055 1 0 "[ ]"
1 14 VAL 0.163 0.059 1 0 "[ ]"
1 15 GLY 0.000 0.000 . 0 "[ ]"
1 16 MET 0.112 0.059 1 0 "[ ]"
1 17 GLN 0.003 0.003 1 0 "[ ]"
1 18 TRP 0.015 0.011 1 0 "[ ]"
1 19 LEU 0.001 0.001 1 0 "[ ]"
1 20 LYS 0.000 0.000 . 0 "[ ]"
1 21 THR 0.000 0.000 . 0 "[ ]"
1 22 GLN 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 ASN 0.000 0.000 . 0 "[ ]"
1 25 LYS 0.000 0.000 . 0 "[ ]"
1 26 GLN 0.000 0.000 . 0 "[ ]"
1 27 MET 0.027 0.027 1 0 "[ ]"
1 28 LEU 0.027 0.027 1 0 "[ ]"
1 29 CYS 0.000 0.000 . 0 "[ ]"
1 30 THR 0.034 0.018 1 0 "[ ]"
1 31 CYS 0.005 0.005 1 0 "[ ]"
1 32 LEU 0.006 0.004 1 0 "[ ]"
1 33 GLY 0.000 0.000 1 0 "[ ]"
1 34 ASN 0.000 0.000 . 0 "[ ]"
1 35 GLY 0.000 0.000 . 0 "[ ]"
1 36 VAL 0.006 0.004 1 0 "[ ]"
1 37 SER 0.000 0.000 1 0 "[ ]"
1 38 CYS 0.000 0.000 . 0 "[ ]"
1 39 GLN 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.000 0.000 . 0 "[ ]"
1 41 THR 0.000 0.000 . 0 "[ ]"
1 42 ALA 0.000 0.000 . 0 "[ ]"
1 43 VAL 0.063 0.063 1 0 "[ ]"
1 44 THR 0.119 0.119 1 0 "[ ]"
1 45 GLN 0.000 0.000 . 0 "[ ]"
1 46 THR 0.003 0.002 1 0 "[ ]"
1 47 TYR 0.006 0.003 1 0 "[ ]"
1 48 GLY 0.000 0.000 . 0 "[ ]"
1 49 GLY 0.003 0.003 1 0 "[ ]"
1 50 ASN 0.000 0.000 1 0 "[ ]"
1 51 SER 0.019 0.012 1 0 "[ ]"
1 52 ASN 0.014 0.012 1 0 "[ ]"
1 53 GLY 0.000 0.000 . 0 "[ ]"
1 54 GLU 0.090 0.075 1 0 "[ ]"
1 55 PRO 0.091 0.075 1 0 "[ ]"
1 56 CYS 0.000 0.000 . 0 "[ ]"
1 57 VAL 0.010 0.007 1 0 "[ ]"
1 58 LEU 0.000 0.000 . 0 "[ ]"
1 59 PRO 0.000 0.000 . 0 "[ ]"
1 60 PHE 0.004 0.004 1 0 "[ ]"
1 61 THR 0.074 0.059 1 0 "[ ]"
1 62 TYR 0.018 0.008 1 0 "[ ]"
1 63 ASN 0.000 0.000 . 0 "[ ]"
1 64 GLY 0.063 0.063 1 0 "[ ]"
1 65 ARG 0.130 0.063 1 0 "[ ]"
1 66 THR 0.024 0.012 1 0 "[ ]"
1 67 PHE 0.089 0.051 1 0 "[ ]"
1 68 TYR 0.000 0.000 . 0 "[ ]"
1 69 SER 0.000 0.000 . 0 "[ ]"
1 70 CYS 0.000 0.000 . 0 "[ ]"
1 71 THR 0.008 0.003 1 0 "[ ]"
1 72 THR 0.014 0.010 1 0 "[ ]"
1 73 GLU 0.000 0.000 1 0 "[ ]"
1 74 GLY 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.009 0.003 1 0 "[ ]"
1 76 GLN 0.001 0.001 1 0 "[ ]"
1 77 ASP 0.000 0.000 . 0 "[ ]"
1 78 GLY 0.252 0.251 1 0 "[ ]"
1 79 HIS 0.000 0.000 . 0 "[ ]"
1 80 LEU 0.019 0.010 1 0 "[ ]"
1 81 TRP 0.006 0.003 1 0 "[ ]"
1 82 CYS 0.001 0.001 1 0 "[ ]"
1 83 SER 0.000 0.000 . 0 "[ ]"
1 84 THR 0.002 0.002 1 0 "[ ]"
1 85 THR 0.010 0.007 1 0 "[ ]"
1 86 SER 0.003 0.003 1 0 "[ ]"
1 87 ASN 0.000 0.000 . 0 "[ ]"
1 88 TYR 0.031 0.008 1 0 "[ ]"
1 89 GLU 0.089 0.081 1 0 "[ ]"
1 90 GLN 0.000 0.000 . 0 "[ ]"
1 91 ASP 0.010 0.007 1 0 "[ ]"
1 92 GLN 0.004 0.004 1 0 "[ ]"
1 93 LYS 0.001 0.001 1 0 "[ ]"
1 94 TYR 0.008 0.003 1 0 "[ ]"
1 95 SER 0.000 0.000 . 0 "[ ]"
1 96 PHE 0.008 0.008 1 0 "[ ]"
1 97 CYS 0.006 0.006 1 0 "[ ]"
1 98 THR 0.048 0.022 1 0 "[ ]"
1 99 ASP 0.100 0.078 1 0 "[ ]"
1 100 HIS 0.134 0.078 1 0 "[ ]"
1 101 THR 0.081 0.040 1 0 "[ ]"
1 102 VAL 0.006 0.006 1 0 "[ ]"
1 103 LEU 0.000 0.000 . 0 "[ ]"
1 104 VAL 0.086 0.043 1 0 "[ ]"
1 105 GLN 0.000 0.000 . 0 "[ ]"
1 106 THR 0.100 0.057 1 0 "[ ]"
1 107 ARG 0.000 0.000 . 0 "[ ]"
1 108 GLY 0.003 0.003 1 0 "[ ]"
1 109 GLY 0.000 0.000 . 0 "[ ]"
1 110 ASN 0.003 0.003 1 0 "[ ]"
1 111 SER 0.009 0.009 1 0 "[ ]"
1 112 ASN 0.007 0.004 1 0 "[ ]"
1 113 GLY 0.000 0.000 . 0 "[ ]"
1 114 ALA 0.113 0.057 1 0 "[ ]"
1 115 LEU 0.000 0.000 . 0 "[ ]"
1 116 CYS 0.354 0.294 1 0 "[ ]"
1 117 HIS 0.023 0.017 1 0 "[ ]"
1 118 PHE 0.460 0.294 1 0 "[ ]"
1 119 PRO 0.000 0.000 . 0 "[ ]"
1 120 PHE 0.036 0.015 1 0 "[ ]"
1 121 LEU 0.149 0.091 1 0 "[ ]"
1 122 TYR 0.061 0.040 1 0 "[ ]"
1 123 ASN 0.011 0.011 1 0 "[ ]"
1 124 ASN 0.140 0.091 1 0 "[ ]"
1 125 HIS 0.010 0.010 1 0 "[ ]"
1 126 ASN 0.000 0.000 . 0 "[ ]"
1 127 TYR 0.018 0.010 1 0 "[ ]"
1 128 THR 0.039 0.039 1 0 "[ ]"
1 129 ASP 0.056 0.039 1 0 "[ ]"
1 130 CYS 0.030 0.030 1 0 "[ ]"
1 131 THR 0.027 0.017 1 0 "[ ]"
1 132 SER 0.002 0.002 1 0 "[ ]"
1 133 GLU 0.000 0.000 . 0 "[ ]"
1 134 GLY 0.000 0.000 . 0 "[ ]"
1 135 ARG 0.000 0.000 . 0 "[ ]"
1 136 ARG 0.000 0.000 . 0 "[ ]"
1 137 ASP 0.001 0.001 1 0 "[ ]"
1 138 ASN 0.001 0.001 1 0 "[ ]"
1 139 MET 0.001 0.001 1 0 "[ ]"
1 140 LYS 0.002 0.002 1 0 "[ ]"
1 141 TRP 0.021 0.015 1 0 "[ ]"
1 142 CYS 0.009 0.009 1 0 "[ ]"
1 143 GLY 0.000 0.000 . 0 "[ ]"
1 144 THR 0.000 0.000 . 0 "[ ]"
1 145 THR 0.017 0.016 1 0 "[ ]"
1 146 GLN 0.005 0.002 1 0 "[ ]"
1 147 ASN 0.085 0.045 1 0 "[ ]"
1 148 TYR 0.015 0.010 1 0 "[ ]"
1 149 ASP 0.010 0.010 1 0 "[ ]"
1 150 ALA 0.059 0.045 1 0 "[ ]"
1 151 ASP 0.015 0.015 1 0 "[ ]"
1 152 GLN 0.000 0.000 . 0 "[ ]"
1 153 LYS 0.003 0.002 1 0 "[ ]"
1 154 PHE 0.000 0.000 . 0 "[ ]"
1 155 GLY 0.007 0.007 1 0 "[ ]"
1 156 PHE 0.000 0.000 . 0 "[ ]"
1 157 CYS 0.006 0.006 1 0 "[ ]"
1 158 PRO 0.010 0.010 1 0 "[ ]"
1 159 MET 0.000 0.000 . 0 "[ ]"
1 160 ALA 0.000 0.000 . 0 "[ ]"
2 1 NAG 0.001 0.001 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 VAL H 1 5 VAL HB 0.000 . 3.500 2.954 2.954 2.954 . 0 0 "[ ]" 1
2 1 6 THR H 1 6 THR MG 0.000 . 3.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
3 1 10 VAL H 1 10 VAL HB 0.000 . 3.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
4 1 10 VAL H 1 10 VAL MG2 0.000 . 2.700 1.860 1.860 1.860 . 0 0 "[ ]" 1
5 1 11 VAL H 1 11 VAL HB 0.000 . 3.500 3.043 3.043 3.043 . 0 0 "[ ]" 1
6 1 12 TYR H 1 12 TYR QD 0.000 . 5.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
7 1 14 VAL H 1 14 VAL HB 0.000 . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
8 1 14 VAL H 1 14 VAL MG1 0.000 . 3.500 1.811 1.811 1.811 . 0 0 "[ ]" 1
9 1 16 MET H 1 16 MET HG3 0.000 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
10 1 16 MET H 1 16 MET HG2 0.000 . 5.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
11 1 17 GLN H 1 17 GLN HG2 0.000 . 5.000 2.789 2.789 2.789 . 0 0 "[ ]" 1
12 1 18 TRP H 1 18 TRP HE3 0.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
13 1 20 LYS H 1 20 LYS QD 0.000 . 5.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
14 1 20 LYS H 1 20 LYS QE 0.000 . 5.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
15 1 20 LYS H 1 20 LYS QG 0.000 . 5.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
16 1 21 THR H 1 21 THR HB 0.000 . 3.500 3.303 3.303 3.303 . 0 0 "[ ]" 1
17 1 22 GLN H 1 22 GLN QG 0.000 . 5.000 4.074 4.074 4.074 . 0 0 "[ ]" 1
18 1 23 GLY H 1 23 GLY HA3 0.000 . 2.700 2.503 2.503 2.503 . 0 0 "[ ]" 1
19 1 24 ASN H 1 24 ASN QB 0.000 . 3.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
20 1 25 LYS H 1 25 LYS QB 0.000 . 3.500 3.380 3.380 3.380 . 0 0 "[ ]" 1
21 1 25 LYS H 1 25 LYS QD 0.000 . 5.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
22 1 25 LYS H 1 25 LYS HG3 0.000 . 5.000 2.578 2.578 2.578 . 0 0 "[ ]" 1
23 1 25 LYS H 1 25 LYS HG2 0.000 . 5.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
24 1 26 GLN H 1 26 GLN QB 0.000 . 3.500 2.373 2.373 2.373 . 0 0 "[ ]" 1
25 1 26 GLN H 1 26 GLN HG3 0.000 . 5.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
26 1 26 GLN H 1 26 GLN HG2 0.000 . 5.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
27 1 27 MET H 1 27 MET HG3 0.000 . 5.000 3.558 3.558 3.558 . 0 0 "[ ]" 1
28 1 27 MET H 1 27 MET HG2 0.000 . 5.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
29 1 28 LEU H 1 28 LEU MD2 0.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
30 1 28 LEU H 1 28 LEU MD1 0.000 . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
31 1 28 LEU H 1 28 LEU HG 0.000 . 5.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
32 1 32 LEU H 1 32 LEU HG 0.000 . 5.000 3.472 3.472 3.472 . 0 0 "[ ]" 1
33 1 36 VAL H 1 36 VAL HB 0.000 . 3.500 2.638 2.638 2.638 . 0 0 "[ ]" 1
34 1 36 VAL H 1 36 VAL MG2 0.000 . 3.500 2.095 2.095 2.095 . 0 0 "[ ]" 1
35 1 39 GLN H 1 39 GLN HG3 0.000 . 5.000 4.485 4.485 4.485 . 0 0 "[ ]" 1
36 1 39 GLN H 1 39 GLN HG2 0.000 . 5.000 4.844 4.844 4.844 . 0 0 "[ ]" 1
37 1 40 GLU H 1 40 GLU HB3 0.000 . 3.500 3.317 3.317 3.317 . 0 0 "[ ]" 1
38 1 40 GLU H 1 40 GLU HB2 0.000 . 3.500 2.111 2.111 2.111 . 0 0 "[ ]" 1
39 1 40 GLU H 1 40 GLU QG 0.000 . 3.500 3.404 3.404 3.404 . 0 0 "[ ]" 1
40 1 42 ALA H 1 42 ALA MB 0.000 . 2.700 2.224 2.224 2.224 . 0 0 "[ ]" 1
41 1 43 VAL H 1 43 VAL HB 0.000 . 3.500 3.563 3.563 3.563 0.063 1 0 "[ ]" 1
42 1 44 THR H 1 44 THR MG 0.000 . 3.500 3.619 3.619 3.619 0.119 1 0 "[ ]" 1
43 1 45 GLN H 1 45 GLN HB2 0.000 . 3.500 2.087 2.087 2.087 . 0 0 "[ ]" 1
44 1 45 GLN H 1 45 GLN HG3 0.000 . 5.000 3.849 3.849 3.849 . 0 0 "[ ]" 1
45 1 45 GLN H 1 45 GLN HG2 0.000 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
46 1 46 THR H 1 46 THR MG 0.000 . 3.500 2.560 2.560 2.560 . 0 0 "[ ]" 1
47 1 47 TYR H 1 47 TYR QD 0.000 . 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
48 1 47 TYR H 1 47 TYR QE 0.000 . 5.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
49 1 52 ASN H 1 52 ASN HA 0.000 . 2.700 2.276 2.276 2.276 . 0 0 "[ ]" 1
50 1 54 GLU H 1 54 GLU HG3 0.000 . 5.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
51 1 54 GLU H 1 54 GLU HG2 0.000 . 5.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
52 1 57 VAL H 1 57 VAL HB 0.000 . 3.500 3.173 3.173 3.173 . 0 0 "[ ]" 1
53 1 58 LEU H 1 58 LEU MD1 0.000 . 5.000 2.023 2.023 2.023 . 0 0 "[ ]" 1
54 1 58 LEU H 1 58 LEU MD2 0.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
55 1 58 LEU H 1 58 LEU HG 0.000 . 5.000 1.875 1.875 1.875 . 0 0 "[ ]" 1
56 1 61 THR H 1 61 THR HB 0.000 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
57 1 62 TYR H 1 62 TYR QD 0.000 . 5.000 4.133 4.133 4.133 . 0 0 "[ ]" 1
58 1 63 ASN H 1 63 ASN HA 0.000 . 2.700 2.278 2.278 2.278 . 0 0 "[ ]" 1
59 1 65 ARG H 1 65 ARG QB 0.000 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1
60 1 65 ARG H 1 65 ARG QD 0.000 . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
61 1 65 ARG H 1 65 ARG HG3 0.000 . 3.500 3.390 3.390 3.390 . 0 0 "[ ]" 1
62 1 65 ARG H 1 65 ARG HG2 0.000 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
63 1 66 THR H 1 66 THR HB 0.000 . 2.700 2.697 2.697 2.697 . 0 0 "[ ]" 1
64 1 67 PHE H 1 67 PHE QD 0.000 . 5.000 2.037 2.037 2.037 . 0 0 "[ ]" 1
65 1 68 TYR H 1 68 TYR QE 0.000 . 5.000 4.848 4.848 4.848 . 0 0 "[ ]" 1
66 1 71 THR H 1 71 THR MG 0.000 . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 1
67 1 73 GLU H 1 73 GLU QB 0.000 . 3.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
68 1 73 GLU H 1 73 GLU QG 0.000 . 5.000 2.657 2.657 2.657 . 0 0 "[ ]" 1
69 1 75 ARG H 1 75 ARG HG3 0.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
70 1 75 ARG H 1 75 ARG HG2 0.000 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
71 1 76 GLN H 1 76 GLN HB2 0.000 . 3.500 2.624 2.624 2.624 . 0 0 "[ ]" 1
72 1 76 GLN H 1 76 GLN HG2 0.000 . 5.000 2.681 2.681 2.681 . 0 0 "[ ]" 1
73 1 78 GLY H 1 78 GLY HA2 0.000 . 2.700 2.951 2.951 2.951 0.251 1 0 "[ ]" 1
74 1 80 LEU H 1 80 LEU MD1 0.000 . 5.000 2.621 2.621 2.621 . 0 0 "[ ]" 1
75 1 80 LEU H 1 80 LEU MD2 0.000 . 5.000 4.386 4.386 4.386 . 0 0 "[ ]" 1
76 1 80 LEU H 1 80 LEU HG 0.000 . 5.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
77 1 81 TRP H 1 81 TRP HE1 0.000 . 5.000 4.650 4.650 4.650 . 0 0 "[ ]" 1
78 1 81 TRP H 1 81 TRP HD1 0.000 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
79 1 85 THR H 1 85 THR HG1 0.000 . 5.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
80 1 88 TYR H 1 88 TYR QD 0.000 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
81 1 89 GLU H 1 89 GLU HB3 0.000 . 3.500 3.581 3.581 3.581 0.081 1 0 "[ ]" 1
82 1 89 GLU H 1 89 GLU HG2 0.000 . 5.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
83 1 90 GLN H 1 90 GLN HB2 0.000 . 3.500 2.265 2.265 2.265 . 0 0 "[ ]" 1
84 1 90 GLN H 1 90 GLN HB3 0.000 . 3.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
85 1 90 GLN H 1 90 GLN HG3 0.000 . 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
86 1 92 GLN HB3 1 92 GLN HE22 0.000 . 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
87 1 92 GLN HB2 1 92 GLN HE22 0.000 . 5.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
88 1 92 GLN H 1 92 GLN QG 0.000 . 5.000 4.300 4.300 4.300 . 0 0 "[ ]" 1
89 1 93 LYS H 1 93 LYS HD3 0.000 . 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
90 1 93 LYS H 1 93 LYS HD2 0.000 . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
91 1 93 LYS H 1 93 LYS QG 0.000 . 5.000 2.126 2.126 2.126 . 0 0 "[ ]" 1
92 1 94 TYR H 1 94 TYR QD 0.000 . 5.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
93 1 94 TYR H 1 94 TYR QE 0.000 . 5.000 4.698 4.698 4.698 . 0 0 "[ ]" 1
94 1 96 PHE H 1 96 PHE QD 0.000 . 5.000 2.839 2.839 2.839 . 0 0 "[ ]" 1
95 1 96 PHE H 1 96 PHE HZ 0.000 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
96 1 98 THR H 1 98 THR MG 0.000 . 3.500 1.852 1.852 1.852 . 0 0 "[ ]" 1
97 1 100 HIS H 1 100 HIS HA 0.000 . 2.700 2.316 2.316 2.316 . 0 0 "[ ]" 1
98 1 100 HIS H 1 100 HIS HB3 0.000 . 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
99 1 100 HIS H 1 100 HIS HD2 0.000 . 5.000 3.188 3.188 3.188 . 0 0 "[ ]" 1
100 1 101 THR H 1 101 THR HB 0.000 . 2.700 2.740 2.740 2.740 0.040 1 0 "[ ]" 1
101 1 101 THR H 1 101 THR MG 0.000 . 3.500 3.321 3.321 3.321 . 0 0 "[ ]" 1
102 1 102 VAL H 1 102 VAL HB 0.000 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
103 1 103 LEU H 1 103 LEU MD2 0.000 . 5.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
104 1 103 LEU H 1 103 LEU MD1 0.000 . 5.000 2.228 2.228 2.228 . 0 0 "[ ]" 1
105 1 103 LEU H 1 103 LEU HG 0.000 . 5.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
106 1 105 GLN H 1 105 GLN QG 0.000 . 5.000 3.474 3.474 3.474 . 0 0 "[ ]" 1
107 1 107 ARG H 1 107 ARG QG 0.000 . 5.000 2.718 2.718 2.718 . 0 0 "[ ]" 1
108 1 112 ASN H 1 112 ASN HA 0.000 . 2.700 2.290 2.290 2.290 . 0 0 "[ ]" 1
109 1 114 ALA H 1 114 ALA MB 0.000 . 2.700 2.350 2.350 2.350 . 0 0 "[ ]" 1
110 1 115 LEU H 1 115 LEU HG 0.000 . 5.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
111 1 118 PHE H 1 118 PHE QD 0.000 . 5.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
112 1 121 LEU H 1 121 LEU MD2 0.000 . 5.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
113 1 124 ASN H 1 124 ASN HA 0.000 . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1
114 1 125 HIS H 1 125 HIS HB2 0.000 . 3.500 2.860 2.860 2.860 . 0 0 "[ ]" 1
115 1 127 TYR H 1 127 TYR QD 0.000 . 5.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
116 1 131 THR H 1 131 THR MG 0.000 . 3.500 1.888 1.888 1.888 . 0 0 "[ ]" 1
117 1 133 GLU H 1 133 GLU QG 0.000 . 5.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
118 1 135 ARG H 1 135 ARG HD3 0.000 . 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
119 1 135 ARG H 1 135 ARG HG3 0.000 . 5.000 3.138 3.138 3.138 . 0 0 "[ ]" 1
120 1 135 ARG H 1 135 ARG HG2 0.000 . 5.000 3.571 3.571 3.571 . 0 0 "[ ]" 1
121 1 136 ARG H 1 136 ARG QG 0.000 . 5.000 3.632 3.632 3.632 . 0 0 "[ ]" 1
122 1 138 ASN H 1 138 ASN HA 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
123 1 139 MET H 1 139 MET HG3 0.000 . 5.000 4.743 4.743 4.743 . 0 0 "[ ]" 1
124 1 139 MET H 1 139 MET HG2 0.000 . 5.000 4.802 4.802 4.802 . 0 0 "[ ]" 1
125 1 140 LYS H 1 140 LYS QD 0.000 . 5.000 2.459 2.459 2.459 . 0 0 "[ ]" 1
126 1 140 LYS H 1 140 LYS HG3 0.000 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
127 1 140 LYS H 1 140 LYS HG2 0.000 . 5.000 2.811 2.811 2.811 . 0 0 "[ ]" 1
128 1 141 TRP H 1 141 TRP HD1 0.000 . 5.000 3.163 3.163 3.163 . 0 0 "[ ]" 1
129 1 146 GLN H 1 146 GLN HG3 0.000 . 5.000 3.036 3.036 3.036 . 0 0 "[ ]" 1
130 1 146 GLN H 1 146 GLN HG2 0.000 . 5.000 2.703 2.703 2.703 . 0 0 "[ ]" 1
131 1 148 TYR H 1 148 TYR QD 0.000 . 5.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
132 1 150 ALA H 1 150 ALA MB 0.000 . 2.700 2.276 2.276 2.276 . 0 0 "[ ]" 1
133 1 152 GLN H 1 152 GLN QG 0.000 . 5.000 4.189 4.189 4.189 . 0 0 "[ ]" 1
134 1 153 LYS H 1 153 LYS HD3 0.000 . 5.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
135 1 153 LYS H 1 153 LYS HD2 0.000 . 5.000 5.000 5.000 5.000 0.000 1 0 "[ ]" 1
136 1 153 LYS H 1 153 LYS QG 0.000 . 5.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
137 1 154 PHE H 1 154 PHE QD 0.000 . 5.000 2.237 2.237 2.237 . 0 0 "[ ]" 1
138 1 156 PHE H 1 156 PHE QD 0.000 . 5.000 3.062 3.062 3.062 . 0 0 "[ ]" 1
139 1 159 MET H 1 159 MET HG3 0.000 . 5.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
140 1 159 MET H 1 159 MET HG2 0.000 . 5.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
141 1 160 ALA H 1 160 ALA MB 0.000 . 2.700 2.547 2.547 2.547 . 0 0 "[ ]" 1
142 2 1 NAG H1 2 1 NAG HN2 0.000 . 3.500 2.557 2.557 2.557 . 0 0 "[ ]" 1
143 2 1 NAG H2 2 1 NAG HN2 0.000 . 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
144 2 1 NAG H3 2 1 NAG HN2 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
145 2 1 NAG H4 2 1 NAG HN2 0.000 . 5.000 4.738 4.738 4.738 . 0 0 "[ ]" 1
146 1 2 GLY H 1 3 HIS H 0.000 . 5.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
147 1 3 HIS H 1 4 CYS H 0.000 . 5.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
148 1 4 CYS H 1 5 VAL H 0.000 . 5.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
149 1 5 VAL H 1 6 THR H 0.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
150 1 7 ASP H 1 8 SER H 0.000 . 5.000 4.169 4.169 4.169 . 0 0 "[ ]" 1
151 1 8 SER H 1 9 GLY H 0.000 . 3.500 2.113 2.113 2.113 . 0 0 "[ ]" 1
152 1 10 VAL H 1 11 VAL H 0.000 . 5.000 4.184 4.184 4.184 . 0 0 "[ ]" 1
153 1 9 GLY H 1 10 VAL H 0.000 . 3.500 1.871 1.871 1.871 . 0 0 "[ ]" 1
154 1 14 VAL H 1 15 GLY H 0.000 . 5.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
155 1 15 GLY H 1 16 MET H 0.000 . 5.000 2.908 2.908 2.908 . 0 0 "[ ]" 1
156 1 16 MET H 1 17 GLN H 0.000 . 5.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
157 1 17 GLN H 1 18 TRP H 0.000 . 5.000 4.570 4.570 4.570 . 0 0 "[ ]" 1
158 1 18 TRP H 1 19 LEU H 0.000 . 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
159 1 19 LEU H 1 20 LYS H 0.000 . 5.000 4.616 4.616 4.616 . 0 0 "[ ]" 1
160 1 22 GLN H 1 23 GLY H 0.000 . 5.000 3.026 3.026 3.026 . 0 0 "[ ]" 1
161 1 23 GLY H 1 24 ASN H 0.000 . 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
162 1 24 ASN H 1 25 LYS H 0.000 . 2.700 2.291 2.291 2.291 . 0 0 "[ ]" 1
163 1 25 LYS H 1 26 GLN H 0.000 . 5.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
164 1 26 GLN H 1 27 MET H 0.000 . 5.000 4.595 4.595 4.595 . 0 0 "[ ]" 1
165 1 29 CYS H 1 30 THR H 0.000 . 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
166 1 32 LEU H 1 33 GLY H 0.000 . 5.000 2.102 2.102 2.102 . 0 0 "[ ]" 1
167 1 33 GLY H 1 34 ASN H 0.000 . 5.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
168 1 34 ASN H 1 35 GLY H 0.000 . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
169 1 35 GLY H 1 36 VAL H 0.000 . 5.000 4.246 4.246 4.246 . 0 0 "[ ]" 1
170 1 37 SER H 1 38 CYS H 0.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
171 1 38 CYS H 1 39 GLN H 0.000 . 5.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
172 1 39 GLN H 1 40 GLU H 0.000 . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
173 1 40 GLU H 1 41 THR H 0.000 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
174 1 42 ALA H 1 43 VAL H 0.000 . 5.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
175 1 44 THR H 1 45 GLN H 0.000 . 5.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
176 1 45 GLN H 1 46 THR H 0.000 . 5.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
177 1 48 GLY H 1 49 GLY H 0.000 . 5.000 4.637 4.637 4.637 . 0 0 "[ ]" 1
178 1 49 GLY H 1 50 ASN H 0.000 . 5.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
179 1 50 ASN H 1 51 SER H 0.000 . 3.500 2.975 2.975 2.975 . 0 0 "[ ]" 1
180 1 51 SER H 1 52 ASN H 0.000 . 3.500 1.870 1.870 1.870 . 0 0 "[ ]" 1
181 1 52 ASN H 1 53 GLY H 0.000 . 3.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
182 1 53 GLY H 1 54 GLU H 0.000 . 5.000 2.710 2.710 2.710 . 0 0 "[ ]" 1
183 1 56 CYS H 1 57 VAL H 0.000 . 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
184 1 57 VAL H 1 58 LEU H 0.000 . 5.000 2.990 2.990 2.990 . 0 0 "[ ]" 1
185 1 61 THR H 1 62 TYR H 0.000 . 5.000 4.609 4.609 4.609 . 0 0 "[ ]" 1
186 1 63 ASN H 1 64 GLY H 0.000 . 5.000 2.794 2.794 2.794 . 0 0 "[ ]" 1
187 1 64 GLY H 1 65 ARG H 0.000 . 3.500 1.927 1.927 1.927 . 0 0 "[ ]" 1
188 1 65 ARG H 1 66 THR H 0.000 . 5.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
189 1 68 TYR H 1 69 SER H 0.000 . 3.500 2.271 2.271 2.271 . 0 0 "[ ]" 1
190 1 70 CYS H 1 71 THR H 0.000 . 5.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
191 1 72 THR H 1 73 GLU H 0.000 . 3.500 2.617 2.617 2.617 . 0 0 "[ ]" 1
192 1 73 GLU H 1 74 GLY H 0.000 . 5.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
193 1 74 GLY H 1 75 ARG H 0.000 . 3.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
194 1 75 ARG H 1 76 GLN H 0.000 . 5.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
195 1 76 GLN H 1 77 ASP H 0.000 . 2.700 2.298 2.298 2.298 . 0 0 "[ ]" 1
196 1 77 ASP H 1 78 GLY H 0.000 . 3.500 2.076 2.076 2.076 . 0 0 "[ ]" 1
197 1 78 GLY H 1 79 HIS H 0.000 . 3.500 3.308 3.308 3.308 . 0 0 "[ ]" 1
198 1 79 HIS H 1 80 LEU H 0.000 . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
199 1 80 LEU H 1 81 TRP H 0.000 . 5.000 4.415 4.415 4.415 . 0 0 "[ ]" 1
200 1 84 THR H 1 85 THR H 0.000 . 5.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
201 1 86 SER H 1 87 ASN H 0.000 . 3.500 3.103 3.103 3.103 . 0 0 "[ ]" 1
202 1 87 ASN H 1 88 TYR H 0.000 . 5.000 3.785 3.785 3.785 . 0 0 "[ ]" 1
203 1 88 TYR H 1 89 GLU H 0.000 . 5.000 3.283 3.283 3.283 . 0 0 "[ ]" 1
204 1 89 GLU H 1 90 GLN H 0.000 . 3.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
205 1 90 GLN H 1 91 ASP H 0.000 . 3.500 2.835 2.835 2.835 . 0 0 "[ ]" 1
206 1 91 ASP H 1 92 GLN H 0.000 . 5.000 2.405 2.405 2.405 . 0 0 "[ ]" 1
207 1 92 GLN H 1 93 LYS H 0.000 . 5.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
208 1 97 CYS H 1 98 THR H 0.000 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
209 1 98 THR H 1 99 ASP H 0.000 . 5.000 4.366 4.366 4.366 . 0 0 "[ ]" 1
210 1 99 ASP H 1 100 HIS H 0.000 . 5.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
211 1 100 HIS H 1 101 THR H 0.000 . 3.500 3.046 3.046 3.046 . 0 0 "[ ]" 1
212 1 101 THR H 1 102 VAL H 0.000 . 5.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
213 1 103 LEU H 1 104 VAL H 0.000 . 5.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
214 1 104 VAL H 1 105 GLN H 0.000 . 5.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
215 1 105 GLN H 1 106 THR H 0.000 . 5.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
216 1 106 THR H 1 107 ARG H 0.000 . 5.000 4.567 4.567 4.567 . 0 0 "[ ]" 1
217 1 110 ASN H 1 111 SER H 0.000 . 5.000 1.874 1.874 1.874 . 0 0 "[ ]" 1
218 1 111 SER H 1 112 ASN H 0.000 . 5.000 1.950 1.950 1.950 . 0 0 "[ ]" 1
219 1 112 ASN H 1 113 GLY H 0.000 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
220 1 113 GLY H 1 114 ALA H 0.000 . 5.000 3.322 3.322 3.322 . 0 0 "[ ]" 1
221 1 117 HIS H 1 118 PHE H 0.000 . 5.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
222 1 124 ASN H 1 125 HIS H 0.000 . 5.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
223 1 125 HIS H 1 126 ASN H 0.000 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
224 1 126 ASN H 1 127 TYR H 0.000 . 5.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
225 1 128 THR H 1 129 ASP H 0.000 . 3.500 2.884 2.884 2.884 . 0 0 "[ ]" 1
226 1 130 CYS H 1 131 THR H 0.000 . 5.000 4.101 4.101 4.101 . 0 0 "[ ]" 1
227 1 134 GLY H 1 135 ARG H 0.000 . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
228 1 135 ARG H 1 136 ARG H 0.000 . 5.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
229 1 136 ARG H 1 137 ASP H 0.000 . 3.500 2.200 2.200 2.200 . 0 0 "[ ]" 1
230 1 137 ASP H 1 138 ASN H 0.000 . 5.000 4.353 4.353 4.353 . 0 0 "[ ]" 1
231 1 138 ASN H 1 139 MET H 0.000 . 5.000 4.158 4.158 4.158 . 0 0 "[ ]" 1
232 1 139 MET H 1 140 LYS H 0.000 . 5.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
233 1 144 THR H 1 145 THR H 0.000 . 5.000 2.619 2.619 2.619 . 0 0 "[ ]" 1
234 1 146 GLN H 1 147 ASN H 0.000 . 5.000 2.649 2.649 2.649 . 0 0 "[ ]" 1
235 1 147 ASN H 1 148 TYR H 0.000 . 5.000 3.311 3.311 3.311 . 0 0 "[ ]" 1
236 1 148 TYR H 1 149 ASP H 0.000 . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
237 1 149 ASP H 1 150 ALA H 0.000 . 5.000 2.695 2.695 2.695 . 0 0 "[ ]" 1
238 1 150 ALA H 1 151 ASP H 0.000 . 3.500 2.308 2.308 2.308 . 0 0 "[ ]" 1
239 1 151 ASP H 1 152 GLN H 0.000 . 5.000 1.929 1.929 1.929 . 0 0 "[ ]" 1
240 1 152 GLN H 1 153 LYS H 0.000 . 5.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
241 1 159 MET H 1 160 ALA H 0.000 . 5.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
242 1 1 TYR HA 1 2 GLY H 0.000 . 5.000 2.150 2.150 2.150 . 0 0 "[ ]" 1
243 1 1 TYR HB3 1 2 GLY H 0.000 . 5.000 3.656 3.656 3.656 . 0 0 "[ ]" 1
244 1 1 TYR HB2 1 2 GLY H 0.000 . 5.000 4.164 4.164 4.164 . 0 0 "[ ]" 1
245 1 2 GLY HA3 1 3 HIS H 0.000 . 3.500 2.481 2.481 2.481 . 0 0 "[ ]" 1
246 1 2 GLY HA2 1 3 HIS H 0.000 . 3.500 2.648 2.648 2.648 . 0 0 "[ ]" 1
247 1 3 HIS HA 1 4 CYS H 0.000 . 3.500 2.370 2.370 2.370 . 0 0 "[ ]" 1
248 1 3 HIS HB2 1 4 CYS H 0.000 . 5.000 2.659 2.659 2.659 . 0 0 "[ ]" 1
249 1 4 CYS HA 1 5 VAL H 0.000 . 2.700 2.181 2.181 2.181 . 0 0 "[ ]" 1
250 1 4 CYS HB2 1 5 VAL H 0.000 . 5.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
251 1 4 CYS HB3 1 5 VAL H 0.000 . 5.000 3.153 3.153 3.153 . 0 0 "[ ]" 1
252 1 5 VAL HA 1 6 THR H 0.000 . 2.700 2.178 2.178 2.178 . 0 0 "[ ]" 1
253 1 5 VAL HB 1 6 THR H 0.000 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
254 1 6 THR HA 1 7 ASP H 0.000 . 3.500 2.620 2.620 2.620 . 0 0 "[ ]" 1
255 1 6 THR MG 1 7 ASP H 0.000 . 5.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
256 1 7 ASP HA 1 8 SER H 0.000 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
257 1 7 ASP QB 1 8 SER H 0.000 . 5.000 1.874 1.874 1.874 . 0 0 "[ ]" 1
258 1 8 SER H 1 9 GLY HA3 0.000 . 5.000 4.508 4.508 4.508 . 0 0 "[ ]" 1
259 1 9 GLY H 1 10 VAL HA 0.000 . 5.000 4.622 4.622 4.622 . 0 0 "[ ]" 1
260 1 9 GLY H 1 10 VAL HB 0.000 . 5.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
261 1 9 GLY H 1 10 VAL MG2 0.000 . 5.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
262 1 8 SER HA 1 9 GLY H 0.000 . 5.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
263 1 9 GLY HA3 1 10 VAL H 0.000 . 5.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
264 1 9 GLY HA2 1 10 VAL H 0.000 . 5.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
265 1 10 VAL HA 1 11 VAL H 0.000 . 2.700 2.192 2.192 2.192 . 0 0 "[ ]" 1
266 1 10 VAL MG2 1 11 VAL H 0.000 . 5.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
267 1 10 VAL MG1 1 11 VAL H 0.000 . 5.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
268 1 11 VAL HA 1 12 TYR H 0.000 . 3.500 2.141 2.141 2.141 . 0 0 "[ ]" 1
269 1 11 VAL HB 1 12 TYR H 0.000 . 5.000 4.049 4.049 4.049 . 0 0 "[ ]" 1
270 1 11 VAL MG1 1 12 TYR H 0.000 . 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
271 1 11 VAL MG2 1 12 TYR H 0.000 . 5.000 2.751 2.751 2.751 . 0 0 "[ ]" 1
272 1 12 TYR HA 1 13 SER H 0.000 . 3.500 2.147 2.147 2.147 . 0 0 "[ ]" 1
273 1 12 TYR HB3 1 13 SER H 0.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
274 1 12 TYR HB2 1 13 SER H 0.000 . 5.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
275 1 13 SER HA 1 14 VAL H 0.000 . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
276 1 13 SER HB3 1 14 VAL H 0.000 . 5.000 2.532 2.532 2.532 . 0 0 "[ ]" 1
277 1 14 VAL HA 1 15 GLY H 0.000 . 3.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
278 1 14 VAL MG2 1 15 GLY H 0.000 . 5.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
279 1 14 VAL MG1 1 15 GLY H 0.000 . 5.000 3.834 3.834 3.834 . 0 0 "[ ]" 1
280 1 15 GLY HA2 1 16 MET H 0.000 . 5.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
281 1 16 MET HA 1 17 GLN H 0.000 . 5.000 2.137 2.137 2.137 . 0 0 "[ ]" 1
282 1 17 GLN H 1 18 TRP HE3 0.000 . 5.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
283 1 17 GLN HA 1 18 TRP H 0.000 . 3.500 2.396 2.396 2.396 . 0 0 "[ ]" 1
284 1 17 GLN HB3 1 18 TRP H 0.000 . 5.000 2.726 2.726 2.726 . 0 0 "[ ]" 1
285 1 17 GLN HB2 1 18 TRP H 0.000 . 5.000 3.118 3.118 3.118 . 0 0 "[ ]" 1
286 1 17 GLN HG3 1 18 TRP H 0.000 . 5.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
287 1 17 GLN HG2 1 18 TRP H 0.000 . 5.000 4.743 4.743 4.743 . 0 0 "[ ]" 1
288 1 18 TRP HA 1 19 LEU H 0.000 . 5.000 2.155 2.155 2.155 . 0 0 "[ ]" 1
289 1 18 TRP HB3 1 19 LEU H 0.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
290 1 18 TRP HB2 1 19 LEU H 0.000 . 5.000 3.302 3.302 3.302 . 0 0 "[ ]" 1
291 1 18 TRP HD1 1 19 LEU H 0.000 . 5.000 3.944 3.944 3.944 . 0 0 "[ ]" 1
292 1 19 LEU H 1 20 LYS QG 0.000 . 5.000 4.972 4.972 4.972 . 0 0 "[ ]" 1
293 1 19 LEU HA 1 20 LYS H 0.000 . 2.700 2.227 2.227 2.227 . 0 0 "[ ]" 1
294 1 19 LEU MD2 1 20 LYS H 0.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
295 1 20 LYS HA 1 21 THR H 0.000 . 2.700 2.233 2.233 2.233 . 0 0 "[ ]" 1
296 1 20 LYS QB 1 21 THR H 0.000 . 5.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
297 1 20 LYS QD 1 21 THR H 0.000 . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 1
298 1 20 LYS QG 1 21 THR H 0.000 . 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
299 1 21 THR HA 1 22 GLN H 0.000 . 2.700 2.142 2.142 2.142 . 0 0 "[ ]" 1
300 1 21 THR HB 1 22 GLN H 0.000 . 5.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
301 1 21 THR MG 1 22 GLN H 0.000 . 5.000 3.229 3.229 3.229 . 0 0 "[ ]" 1
302 1 22 GLN HA 1 23 GLY H 0.000 . 2.700 2.696 2.696 2.696 . 0 0 "[ ]" 1
303 1 22 GLN HB3 1 23 GLY H 0.000 . 5.000 4.271 4.271 4.271 . 0 0 "[ ]" 1
304 1 22 GLN HB2 1 23 GLY H 0.000 . 5.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
305 1 22 GLN QG 1 23 GLY H 0.000 . 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
306 1 23 GLY HA2 1 24 ASN H 0.000 . 2.700 2.281 2.281 2.281 . 0 0 "[ ]" 1
307 1 23 GLY HA3 1 24 ASN H 0.000 . 3.500 3.497 3.497 3.497 . 0 0 "[ ]" 1
308 1 24 ASN H 1 25 LYS QB 0.000 . 5.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
309 1 24 ASN H 1 25 LYS HG3 0.000 . 5.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
310 1 24 ASN H 1 25 LYS HG2 0.000 . 5.000 3.045 3.045 3.045 . 0 0 "[ ]" 1
311 1 24 ASN HA 1 25 LYS H 0.000 . 3.500 2.927 2.927 2.927 . 0 0 "[ ]" 1
312 1 24 ASN QB 1 25 LYS H 0.000 . 5.000 3.777 3.777 3.777 . 0 0 "[ ]" 1
313 1 25 LYS HA 1 26 GLN H 0.000 . 2.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
314 1 25 LYS QD 1 26 GLN H 0.000 . 5.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
315 1 25 LYS HG3 1 26 GLN H 0.000 . 5.000 4.556 4.556 4.556 . 0 0 "[ ]" 1
316 1 25 LYS HG2 1 26 GLN H 0.000 . 5.000 4.988 4.988 4.988 . 0 0 "[ ]" 1
317 1 26 GLN HA 1 27 MET H 0.000 . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
318 1 26 GLN QB 1 27 MET H 0.000 . 5.000 2.777 2.777 2.777 . 0 0 "[ ]" 1
319 1 26 GLN HG3 1 27 MET H 0.000 . 5.000 4.358 4.358 4.358 . 0 0 "[ ]" 1
320 1 26 GLN HG2 1 27 MET H 0.000 . 5.000 4.434 4.434 4.434 . 0 0 "[ ]" 1
321 1 27 MET HA 1 28 LEU H 0.000 . 3.500 2.236 2.236 2.236 . 0 0 "[ ]" 1
322 1 27 MET HB3 1 28 LEU H 0.000 . 5.000 2.911 2.911 2.911 . 0 0 "[ ]" 1
323 1 27 MET HB2 1 28 LEU H 0.000 . 5.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
324 1 27 MET HG3 1 28 LEU H 0.000 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
325 1 28 LEU HA 1 29 CYS H 0.000 . 3.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
326 1 28 LEU HG 1 29 CYS H 0.000 . 5.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
327 1 29 CYS HA 1 30 THR H 0.000 . 3.500 2.141 2.141 2.141 . 0 0 "[ ]" 1
328 1 29 CYS HB3 1 30 THR H 0.000 . 5.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
329 1 29 CYS HB2 1 30 THR H 0.000 . 5.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
330 1 30 THR HA 1 31 CYS H 0.000 . 5.000 2.210 2.210 2.210 . 0 0 "[ ]" 1
331 1 30 THR MG 1 31 CYS H 0.000 . 5.000 1.959 1.959 1.959 . 0 0 "[ ]" 1
332 1 31 CYS HA 1 32 LEU H 0.000 . 3.500 2.210 2.210 2.210 . 0 0 "[ ]" 1
333 1 31 CYS HB2 1 32 LEU H 0.000 . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
334 1 32 LEU HA 1 33 GLY H 0.000 . 5.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
335 1 32 LEU HB2 1 33 GLY H 0.000 . 5.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
336 1 32 LEU HB3 1 33 GLY H 0.000 . 5.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
337 1 32 LEU HG 1 33 GLY H 0.000 . 5.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
338 1 33 GLY HA3 1 34 ASN H 0.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
339 1 33 GLY HA2 1 34 ASN H 0.000 . 5.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
340 1 34 ASN HA 1 35 GLY H 0.000 . 3.500 3.358 3.358 3.358 . 0 0 "[ ]" 1
341 1 34 ASN HB3 1 35 GLY H 0.000 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
342 1 34 ASN HB2 1 35 GLY H 0.000 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
343 1 35 GLY HA3 1 36 VAL H 0.000 . 3.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
344 1 35 GLY HA2 1 36 VAL H 0.000 . 3.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
345 1 36 VAL HA 1 37 SER H 0.000 . 2.700 2.150 2.150 2.150 . 0 0 "[ ]" 1
346 1 36 VAL MG2 1 37 SER H 0.000 . 5.000 4.131 4.131 4.131 . 0 0 "[ ]" 1
347 1 36 VAL MG1 1 37 SER H 0.000 . 3.500 2.661 2.661 2.661 . 0 0 "[ ]" 1
348 1 37 SER HA 1 38 CYS H 0.000 . 2.700 2.252 2.252 2.252 . 0 0 "[ ]" 1
349 1 37 SER HB3 1 38 CYS H 0.000 . 5.000 4.025 4.025 4.025 . 0 0 "[ ]" 1
350 1 37 SER HB2 1 38 CYS H 0.000 . 5.000 4.547 4.547 4.547 . 0 0 "[ ]" 1
351 1 38 CYS HA 1 39 GLN H 0.000 . 3.500 2.202 2.202 2.202 . 0 0 "[ ]" 1
352 1 38 CYS HB3 1 39 GLN H 0.000 . 5.000 3.323 3.323 3.323 . 0 0 "[ ]" 1
353 1 38 CYS HB2 1 39 GLN H 0.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
354 1 39 GLN HA 1 40 GLU H 0.000 . 2.700 2.174 2.174 2.174 . 0 0 "[ ]" 1
355 1 39 GLN HG3 1 40 GLU H 0.000 . 5.000 4.143 4.143 4.143 . 0 0 "[ ]" 1
356 1 39 GLN HG2 1 40 GLU H 0.000 . 5.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
357 1 40 GLU HA 1 41 THR H 0.000 . 2.700 2.349 2.349 2.349 . 0 0 "[ ]" 1
358 1 40 GLU HB3 1 41 THR H 0.000 . 5.000 3.038 3.038 3.038 . 0 0 "[ ]" 1
359 1 40 GLU HB2 1 41 THR H 0.000 . 5.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
360 1 40 GLU QG 1 41 THR H 0.000 . 5.000 2.449 2.449 2.449 . 0 0 "[ ]" 1
361 1 41 THR HA 1 42 ALA H 0.000 . 3.500 2.534 2.534 2.534 . 0 0 "[ ]" 1
362 1 41 THR HB 1 42 ALA H 0.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
363 1 41 THR MG 1 42 ALA H 0.000 . 5.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
364 1 42 ALA HA 1 43 VAL H 0.000 . 2.700 2.343 2.343 2.343 . 0 0 "[ ]" 1
365 1 42 ALA MB 1 43 VAL H 0.000 . 3.500 2.507 2.507 2.507 . 0 0 "[ ]" 1
366 1 43 VAL HA 1 44 THR H 0.000 . 2.700 2.611 2.611 2.611 . 0 0 "[ ]" 1
367 1 43 VAL HB 1 44 THR H 0.000 . 5.000 2.149 2.149 2.149 . 0 0 "[ ]" 1
368 1 44 THR HA 1 45 GLN H 0.000 . 2.700 2.429 2.429 2.429 . 0 0 "[ ]" 1
369 1 44 THR HB 1 45 GLN H 0.000 . 5.000 3.806 3.806 3.806 . 0 0 "[ ]" 1
370 1 44 THR MG 1 45 GLN H 0.000 . 5.000 1.785 1.785 1.785 . 0 0 "[ ]" 1
371 1 45 GLN H 1 46 THR MG 0.000 . 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
372 1 45 GLN HA 1 46 THR H 0.000 . 2.700 2.455 2.455 2.455 . 0 0 "[ ]" 1
373 1 45 GLN HB3 1 46 THR H 0.000 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
374 1 45 GLN HB2 1 46 THR H 0.000 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
375 1 46 THR HA 1 47 TYR H 0.000 . 3.500 2.444 2.444 2.444 . 0 0 "[ ]" 1
376 1 46 THR HB 1 47 TYR H 0.000 . 5.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
377 1 46 THR MG 1 47 TYR H 0.000 . 5.000 3.371 3.371 3.371 . 0 0 "[ ]" 1
378 1 47 TYR HA 1 48 GLY H 0.000 . 5.000 2.274 2.274 2.274 . 0 0 "[ ]" 1
379 1 47 TYR HB3 1 48 GLY H 0.000 . 5.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
380 1 47 TYR HB2 1 48 GLY H 0.000 . 5.000 2.792 2.792 2.792 . 0 0 "[ ]" 1
381 1 47 TYR QD 1 48 GLY H 0.000 . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 1
382 1 48 GLY QA 1 49 GLY H 0.000 . 5.000 2.253 2.253 2.253 . 0 0 "[ ]" 1
383 1 49 GLY HA2 1 50 ASN H 0.000 . 5.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
384 1 49 GLY HA3 1 50 ASN H 0.000 . 5.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
385 1 50 ASN HA 1 51 SER H 0.000 . 5.000 2.890 2.890 2.890 . 0 0 "[ ]" 1
386 1 51 SER H 1 52 ASN HA 0.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
387 1 51 SER H 1 52 ASN HB3 0.000 . 5.000 5.012 5.012 5.012 0.012 1 0 "[ ]" 1
388 1 51 SER H 1 52 ASN HB2 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
389 1 51 SER HA 1 52 ASN H 0.000 . 3.500 3.135 3.135 3.135 . 0 0 "[ ]" 1
390 1 51 SER QB 1 52 ASN H 0.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
391 1 52 ASN HA 1 53 GLY H 0.000 . 5.000 2.911 2.911 2.911 . 0 0 "[ ]" 1
392 1 53 GLY HA3 1 54 GLU H 0.000 . 5.000 3.120 3.120 3.120 . 0 0 "[ ]" 1
393 1 53 GLY HA2 1 54 GLU H 0.000 . 5.000 3.407 3.407 3.407 . 0 0 "[ ]" 1
394 1 54 GLU H 1 55 PRO HD2 0.000 . 5.000 4.996 4.996 4.996 . 0 0 "[ ]" 1
395 1 55 PRO HA 1 56 CYS H 0.000 . 2.700 2.307 2.307 2.307 . 0 0 "[ ]" 1
396 1 55 PRO HB3 1 56 CYS H 0.000 . 5.000 3.141 3.141 3.141 . 0 0 "[ ]" 1
397 1 55 PRO HB2 1 56 CYS H 0.000 . 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
398 1 56 CYS HA 1 57 VAL H 0.000 . 3.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
399 1 56 CYS HB3 1 57 VAL H 0.000 . 5.000 2.399 2.399 2.399 . 0 0 "[ ]" 1
400 1 56 CYS HB2 1 57 VAL H 0.000 . 5.000 2.519 2.519 2.519 . 0 0 "[ ]" 1
401 1 57 VAL H 1 58 LEU MD1 0.000 . 5.000 4.003 4.003 4.003 . 0 0 "[ ]" 1
402 1 57 VAL H 1 58 LEU MD2 0.000 . 5.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
403 1 57 VAL HA 1 58 LEU H 0.000 . 2.700 2.480 2.480 2.480 . 0 0 "[ ]" 1
404 1 57 VAL MG1 1 58 LEU H 0.000 . 5.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
405 1 57 VAL MG2 1 58 LEU H 0.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
406 1 59 PRO HA 1 60 PHE H 0.000 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
407 1 59 PRO HB2 1 60 PHE H 0.000 . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
408 1 59 PRO HG3 1 60 PHE H 0.000 . 5.000 4.993 4.993 4.993 . 0 0 "[ ]" 1
409 1 60 PHE HA 1 61 THR H 0.000 . 2.700 2.143 2.143 2.143 . 0 0 "[ ]" 1
410 1 60 PHE HB3 1 61 THR H 0.000 . 5.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
411 1 60 PHE HB2 1 61 THR H 0.000 . 5.000 3.595 3.595 3.595 . 0 0 "[ ]" 1
412 1 61 THR HA 1 62 TYR H 0.000 . 2.700 2.307 2.307 2.307 . 0 0 "[ ]" 1
413 1 61 THR HB 1 62 TYR H 0.000 . 5.000 2.684 2.684 2.684 . 0 0 "[ ]" 1
414 1 61 THR MG 1 62 TYR H 0.000 . 3.500 3.450 3.450 3.450 . 0 0 "[ ]" 1
415 1 62 TYR QE 1 63 ASN HD21 0.000 . 5.000 2.867 2.867 2.867 . 0 0 "[ ]" 1
416 1 62 TYR QE 1 63 ASN HD22 0.000 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
417 1 62 TYR HA 1 63 ASN H 0.000 . 3.500 2.144 2.144 2.144 . 0 0 "[ ]" 1
418 1 62 TYR HB3 1 63 ASN H 0.000 . 5.000 4.323 4.323 4.323 . 0 0 "[ ]" 1
419 1 62 TYR HB2 1 63 ASN H 0.000 . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
420 1 62 TYR QD 1 63 ASN H 0.000 . 5.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
421 1 62 TYR QE 1 63 ASN H 0.000 . 5.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
422 1 63 ASN HA 1 64 GLY H 0.000 . 3.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
423 1 63 ASN HB3 1 64 GLY H 0.000 . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
424 1 63 ASN HB2 1 64 GLY H 0.000 . 5.000 4.444 4.444 4.444 . 0 0 "[ ]" 1
425 1 64 GLY H 1 65 ARG HG3 0.000 . 5.000 5.063 5.063 5.063 0.063 1 0 "[ ]" 1
426 1 64 GLY HA3 1 65 ARG H 0.000 . 5.000 3.282 3.282 3.282 . 0 0 "[ ]" 1
427 1 64 GLY HA2 1 65 ARG H 0.000 . 5.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
428 1 65 ARG HA 1 66 THR H 0.000 . 2.700 2.298 2.298 2.298 . 0 0 "[ ]" 1
429 1 65 ARG QB 1 66 THR H 0.000 . 5.000 3.174 3.174 3.174 . 0 0 "[ ]" 1
430 1 65 ARG QD 1 66 THR H 0.000 . 5.000 1.865 1.865 1.865 . 0 0 "[ ]" 1
431 1 65 ARG HG3 1 66 THR H 0.000 . 3.500 3.350 3.350 3.350 . 0 0 "[ ]" 1
432 1 65 ARG HG2 1 66 THR H 0.000 . 5.000 4.384 4.384 4.384 . 0 0 "[ ]" 1
433 1 66 THR HA 1 67 PHE H 0.000 . 2.700 2.159 2.159 2.159 . 0 0 "[ ]" 1
434 1 66 THR HB 1 67 PHE H 0.000 . 5.000 4.294 4.294 4.294 . 0 0 "[ ]" 1
435 1 66 THR MG 1 67 PHE H 0.000 . 5.000 3.078 3.078 3.078 . 0 0 "[ ]" 1
436 1 67 PHE HA 1 68 TYR H 0.000 . 2.700 2.152 2.152 2.152 . 0 0 "[ ]" 1
437 1 67 PHE HB2 1 68 TYR H 0.000 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
438 1 67 PHE QD 1 68 TYR H 0.000 . 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
439 1 68 TYR HA 1 69 SER H 0.000 . 5.000 3.446 3.446 3.446 . 0 0 "[ ]" 1
440 1 68 TYR HB2 1 69 SER H 0.000 . 5.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
441 1 69 SER HA 1 70 CYS H 0.000 . 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
442 1 69 SER HB3 1 70 CYS H 0.000 . 3.500 2.081 2.081 2.081 . 0 0 "[ ]" 1
443 1 69 SER HB2 1 70 CYS H 0.000 . 5.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
444 1 70 CYS HA 1 71 THR H 0.000 . 3.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
445 1 70 CYS HB3 1 71 THR H 0.000 . 5.000 2.641 2.641 2.641 . 0 0 "[ ]" 1
446 1 70 CYS HB2 1 71 THR H 0.000 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
447 1 71 THR HA 1 72 THR H 0.000 . 2.700 2.253 2.253 2.253 . 0 0 "[ ]" 1
448 1 71 THR HB 1 72 THR H 0.000 . 5.000 4.103 4.103 4.103 . 0 0 "[ ]" 1
449 1 71 THR MG 1 72 THR H 0.000 . 5.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
450 1 72 THR H 1 73 GLU HA 0.000 . 5.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
451 1 72 THR H 1 73 GLU QB 0.000 . 5.000 4.638 4.638 4.638 . 0 0 "[ ]" 1
452 1 72 THR H 1 73 GLU QG 0.000 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
453 1 72 THR HA 1 73 GLU H 0.000 . 5.000 3.170 3.170 3.170 . 0 0 "[ ]" 1
454 1 72 THR MG 1 73 GLU H 0.000 . 5.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
455 1 73 GLU HA 1 74 GLY H 0.000 . 2.700 2.146 2.146 2.146 . 0 0 "[ ]" 1
456 1 73 GLU QB 1 74 GLY H 0.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
457 1 73 GLU QG 1 74 GLY H 0.000 . 5.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
458 1 74 GLY HA3 1 75 ARG H 0.000 . 5.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
459 1 74 GLY HA2 1 75 ARG H 0.000 . 5.000 3.225 3.225 3.225 . 0 0 "[ ]" 1
460 1 75 ARG HA 1 76 GLN H 0.000 . 2.700 2.139 2.139 2.139 . 0 0 "[ ]" 1
461 1 75 ARG HB3 1 76 GLN H 0.000 . 5.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
462 1 75 ARG HG2 1 76 GLN H 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
463 1 76 GLN HG2 1 77 ASP H 0.000 . 5.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
464 1 77 ASP H 1 78 GLY HA2 0.000 . 5.000 4.810 4.810 4.810 . 0 0 "[ ]" 1
465 1 77 ASP HA 1 78 GLY H 0.000 . 3.500 3.372 3.372 3.372 . 0 0 "[ ]" 1
466 1 77 ASP HB3 1 78 GLY H 0.000 . 5.000 4.453 4.453 4.453 . 0 0 "[ ]" 1
467 1 77 ASP HB2 1 78 GLY H 0.000 . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
468 1 78 GLY HA3 1 79 HIS H 0.000 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
469 1 78 GLY HA2 1 79 HIS H 0.000 . 5.000 2.608 2.608 2.608 . 0 0 "[ ]" 1
470 1 79 HIS HA 1 80 LEU H 0.000 . 2.700 2.566 2.566 2.566 . 0 0 "[ ]" 1
471 1 79 HIS HB3 1 80 LEU H 0.000 . 5.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
472 1 79 HIS HB2 1 80 LEU H 0.000 . 5.000 2.904 2.904 2.904 . 0 0 "[ ]" 1
473 1 80 LEU HA 1 81 TRP H 0.000 . 3.500 2.674 2.674 2.674 . 0 0 "[ ]" 1
474 1 80 LEU HB2 1 81 TRP H 0.000 . 5.000 3.207 3.207 3.207 . 0 0 "[ ]" 1
475 1 80 LEU HB3 1 81 TRP H 0.000 . 5.000 1.874 1.874 1.874 . 0 0 "[ ]" 1
476 1 80 LEU MD2 1 81 TRP H 0.000 . 5.000 3.319 3.319 3.319 . 0 0 "[ ]" 1
477 1 80 LEU HG 1 81 TRP H 0.000 . 5.000 4.063 4.063 4.063 . 0 0 "[ ]" 1
478 1 81 TRP HA 1 82 CYS H 0.000 . 3.500 2.308 2.308 2.308 . 0 0 "[ ]" 1
479 1 81 TRP HB3 1 82 CYS H 0.000 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
480 1 81 TRP HB2 1 82 CYS H 0.000 . 5.000 2.675 2.675 2.675 . 0 0 "[ ]" 1
481 1 81 TRP HE3 1 82 CYS H 0.000 . 5.000 3.455 3.455 3.455 . 0 0 "[ ]" 1
482 1 82 CYS HA 1 83 SER H 0.000 . 5.000 2.224 2.224 2.224 . 0 0 "[ ]" 1
483 1 82 CYS HB3 1 83 SER H 0.000 . 5.000 3.920 3.920 3.920 . 0 0 "[ ]" 1
484 1 82 CYS HB2 1 83 SER H 0.000 . 5.000 2.946 2.946 2.946 . 0 0 "[ ]" 1
485 1 83 SER HA 1 84 THR H 0.000 . 3.500 2.162 2.162 2.162 . 0 0 "[ ]" 1
486 1 83 SER HB2 1 84 THR H 0.000 . 5.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
487 1 84 THR H 1 85 THR HG1 0.000 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
488 1 84 THR H 1 85 THR MG 0.000 . 5.000 4.517 4.517 4.517 . 0 0 "[ ]" 1
489 1 84 THR HA 1 85 THR H 0.000 . 5.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
490 1 84 THR MG 1 85 THR H 0.000 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
491 1 85 THR HA 1 86 SER H 0.000 . 2.700 2.166 2.166 2.166 . 0 0 "[ ]" 1
492 1 85 THR MG 1 86 SER H 0.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
493 1 86 SER HB2 1 87 ASN H 0.000 . 5.000 3.905 3.905 3.905 . 0 0 "[ ]" 1
494 1 86 SER HB3 1 87 ASN H 0.000 . 5.000 2.525 2.525 2.525 . 0 0 "[ ]" 1
495 1 87 ASN HA 1 88 TYR H 0.000 . 2.700 2.375 2.375 2.375 . 0 0 "[ ]" 1
496 1 87 ASN HB2 1 88 TYR H 0.000 . 5.000 4.378 4.378 4.378 . 0 0 "[ ]" 1
497 1 88 TYR HA 1 89 GLU H 0.000 . 5.000 3.556 3.556 3.556 . 0 0 "[ ]" 1
498 1 88 TYR HB3 1 89 GLU H 0.000 . 5.000 2.190 2.190 2.190 . 0 0 "[ ]" 1
499 1 88 TYR HB2 1 89 GLU H 0.000 . 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
500 1 88 TYR QD 1 89 GLU H 0.000 . 5.000 2.298 2.298 2.298 . 0 0 "[ ]" 1
501 1 89 GLU H 1 90 GLN HB2 0.000 . 5.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
502 1 89 GLU HA 1 90 GLN H 0.000 . 5.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
503 1 89 GLU HB2 1 90 GLN H 0.000 . 5.000 3.003 3.003 3.003 . 0 0 "[ ]" 1
504 1 89 GLU HG3 1 90 GLN H 0.000 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
505 1 89 GLU HG2 1 90 GLN H 0.000 . 5.000 4.746 4.746 4.746 . 0 0 "[ ]" 1
506 1 90 GLN HA 1 91 ASP H 0.000 . 5.000 3.575 3.575 3.575 . 0 0 "[ ]" 1
507 1 90 GLN HB2 1 91 ASP H 0.000 . 5.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
508 1 90 GLN HB3 1 91 ASP H 0.000 . 5.000 2.095 2.095 2.095 . 0 0 "[ ]" 1
509 1 90 GLN HG3 1 91 ASP H 0.000 . 5.000 4.740 4.740 4.740 . 0 0 "[ ]" 1
510 1 91 ASP H 1 92 GLN HA 0.000 . 5.000 4.513 4.513 4.513 . 0 0 "[ ]" 1
511 1 91 ASP HA 1 92 GLN H 0.000 . 5.000 3.229 3.229 3.229 . 0 0 "[ ]" 1
512 1 91 ASP HB3 1 92 GLN H 0.000 . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
513 1 91 ASP HB2 1 92 GLN H 0.000 . 5.000 3.651 3.651 3.651 . 0 0 "[ ]" 1
514 1 92 GLN HA 1 93 LYS H 0.000 . 5.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
515 1 92 GLN HE21 1 93 LYS H 0.000 . 5.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
516 1 93 LYS HA 1 94 TYR H 0.000 . 3.500 2.296 2.296 2.296 . 0 0 "[ ]" 1
517 1 93 LYS HD3 1 94 TYR H 0.000 . 5.000 4.815 4.815 4.815 . 0 0 "[ ]" 1
518 1 93 LYS HD2 1 94 TYR H 0.000 . 5.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
519 1 93 LYS QG 1 94 TYR H 0.000 . 5.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
520 1 94 TYR HA 1 95 SER H 0.000 . 5.000 2.612 2.612 2.612 . 0 0 "[ ]" 1
521 1 94 TYR HB2 1 95 SER H 0.000 . 5.000 2.047 2.047 2.047 . 0 0 "[ ]" 1
522 1 94 TYR HB3 1 95 SER H 0.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
523 1 94 TYR QD 1 95 SER H 0.000 . 5.000 2.611 2.611 2.611 . 0 0 "[ ]" 1
524 1 95 SER HA 1 96 PHE H 0.000 . 3.500 2.191 2.191 2.191 . 0 0 "[ ]" 1
525 1 95 SER HB3 1 96 PHE H 0.000 . 5.000 3.117 3.117 3.117 . 0 0 "[ ]" 1
526 1 95 SER HB2 1 96 PHE H 0.000 . 5.000 4.213 4.213 4.213 . 0 0 "[ ]" 1
527 1 96 PHE HA 1 97 CYS H 0.000 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
528 1 96 PHE HB3 1 97 CYS H 0.000 . 5.000 2.975 2.975 2.975 . 0 0 "[ ]" 1
529 1 96 PHE HB2 1 97 CYS H 0.000 . 5.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
530 1 96 PHE QD 1 97 CYS H 0.000 . 5.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
531 1 97 CYS HA 1 98 THR H 0.000 . 2.700 2.559 2.559 2.559 . 0 0 "[ ]" 1
532 1 97 CYS QB 1 98 THR H 0.000 . 5.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
533 1 98 THR HA 1 99 ASP H 0.000 . 2.700 2.133 2.133 2.133 . 0 0 "[ ]" 1
534 1 98 THR HB 1 99 ASP H 0.000 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
535 1 98 THR MG 1 99 ASP H 0.000 . 5.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
536 1 99 ASP HA 1 100 HIS H 0.000 . 2.700 2.778 2.778 2.778 0.078 1 0 "[ ]" 1
537 1 99 ASP QB 1 100 HIS H 0.000 . 5.000 4.018 4.018 4.018 . 0 0 "[ ]" 1
538 1 100 HIS HA 1 101 THR H 0.000 . 2.700 2.735 2.735 2.735 0.035 1 0 "[ ]" 1
539 1 100 HIS HB2 1 101 THR H 0.000 . 5.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
540 1 100 HIS HB3 1 101 THR H 0.000 . 5.000 4.628 4.628 4.628 . 0 0 "[ ]" 1
541 1 100 HIS HD2 1 101 THR H 0.000 . 5.000 4.848 4.848 4.848 . 0 0 "[ ]" 1
542 1 101 THR HA 1 102 VAL H 0.000 . 2.700 2.706 2.706 2.706 0.006 1 0 "[ ]" 1
543 1 101 THR MG 1 102 VAL H 0.000 . 5.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
544 1 102 VAL HB 1 103 LEU H 0.000 . 5.000 3.669 3.669 3.669 . 0 0 "[ ]" 1
545 1 103 LEU HA 1 104 VAL H 0.000 . 3.500 2.155 2.155 2.155 . 0 0 "[ ]" 1
546 1 103 LEU HB3 1 104 VAL H 0.000 . 5.000 3.723 3.723 3.723 . 0 0 "[ ]" 1
547 1 103 LEU HB2 1 104 VAL H 0.000 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
548 1 103 LEU MD1 1 104 VAL H 0.000 . 5.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
549 1 103 LEU HG 1 104 VAL H 0.000 . 5.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
550 1 104 VAL HA 1 105 GLN H 0.000 . 2.700 2.171 2.171 2.171 . 0 0 "[ ]" 1
551 1 104 VAL MG2 1 105 GLN H 0.000 . 5.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
552 1 104 VAL MG1 1 105 GLN H 0.000 . 5.000 2.549 2.549 2.549 . 0 0 "[ ]" 1
553 1 105 GLN HA 1 106 THR H 0.000 . 3.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
554 1 105 GLN HB3 1 106 THR H 0.000 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
555 1 105 GLN QG 1 106 THR H 0.000 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
556 1 106 THR HA 1 107 ARG H 0.000 . 5.000 2.463 2.463 2.463 . 0 0 "[ ]" 1
557 1 106 THR HB 1 107 ARG H 0.000 . 5.000 2.244 2.244 2.244 . 0 0 "[ ]" 1
558 1 106 THR MG 1 107 ARG H 0.000 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
559 1 107 ARG HA 1 108 GLY H 0.000 . 2.700 2.160 2.160 2.160 . 0 0 "[ ]" 1
560 1 107 ARG HB3 1 108 GLY H 0.000 . 5.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
561 1 107 ARG HB2 1 108 GLY H 0.000 . 5.000 3.264 3.264 3.264 . 0 0 "[ ]" 1
562 1 107 ARG QG 1 108 GLY H 0.000 . 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
563 1 108 GLY HA3 1 109 GLY H 0.000 . 5.000 2.487 2.487 2.487 . 0 0 "[ ]" 1
564 1 108 GLY HA2 1 109 GLY H 0.000 . 5.000 2.646 2.646 2.646 . 0 0 "[ ]" 1
565 1 109 GLY HA3 1 110 ASN H 0.000 . 5.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
566 1 109 GLY HA2 1 110 ASN H 0.000 . 5.000 2.228 2.228 2.228 . 0 0 "[ ]" 1
567 1 110 ASN H 1 111 SER HB3 0.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
568 1 110 ASN HA 1 111 SER H 0.000 . 5.000 3.084 3.084 3.084 . 0 0 "[ ]" 1
569 1 111 SER H 1 112 ASN HA 0.000 . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
570 1 112 ASN HA 1 113 GLY H 0.000 . 5.000 2.259 2.259 2.259 . 0 0 "[ ]" 1
571 1 113 GLY QA 1 114 ALA H 0.000 . 5.000 2.396 2.396 2.396 . 0 0 "[ ]" 1
572 1 114 ALA HA 1 115 LEU H 0.000 . 5.000 2.211 2.211 2.211 . 0 0 "[ ]" 1
573 1 114 ALA MB 1 115 LEU H 0.000 . 5.000 2.860 2.860 2.860 . 0 0 "[ ]" 1
574 1 115 LEU HA 1 116 CYS H 0.000 . 3.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
575 1 115 LEU HB3 1 116 CYS H 0.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
576 1 115 LEU HB2 1 116 CYS H 0.000 . 5.000 4.530 4.530 4.530 . 0 0 "[ ]" 1
577 1 115 LEU HG 1 116 CYS H 0.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
578 1 116 CYS HA 1 117 HIS H 0.000 . 3.500 2.155 2.155 2.155 . 0 0 "[ ]" 1
579 1 116 CYS HB3 1 117 HIS H 0.000 . 5.000 3.757 3.757 3.757 . 0 0 "[ ]" 1
580 1 116 CYS HB2 1 117 HIS H 0.000 . 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
581 1 117 HIS HA 1 118 PHE H 0.000 . 2.700 2.178 2.178 2.178 . 0 0 "[ ]" 1
582 1 117 HIS HB2 1 118 PHE H 0.000 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
583 1 119 PRO HA 1 120 PHE H 0.000 . 3.500 2.509 2.509 2.509 . 0 0 "[ ]" 1
584 1 119 PRO QB 1 120 PHE H 0.000 . 5.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
585 1 119 PRO HG2 1 120 PHE H 0.000 . 5.000 4.879 4.879 4.879 . 0 0 "[ ]" 1
586 1 120 PHE HA 1 121 LEU H 0.000 . 5.000 2.149 2.149 2.149 . 0 0 "[ ]" 1
587 1 120 PHE HB3 1 121 LEU H 0.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
588 1 120 PHE HB2 1 121 LEU H 0.000 . 5.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
589 1 121 LEU HA 1 122 TYR H 0.000 . 3.500 2.140 2.140 2.140 . 0 0 "[ ]" 1
590 1 121 LEU MD1 1 122 TYR H 0.000 . 5.000 2.499 2.499 2.499 . 0 0 "[ ]" 1
591 1 121 LEU MD2 1 122 TYR H 0.000 . 5.000 1.944 1.944 1.944 . 0 0 "[ ]" 1
592 1 121 LEU HG 1 122 TYR H 0.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
593 1 122 TYR QE 1 123 ASN HD21 0.000 . 5.000 2.211 2.211 2.211 . 0 0 "[ ]" 1
594 1 122 TYR QE 1 123 ASN HD22 0.000 . 5.000 3.907 3.907 3.907 . 0 0 "[ ]" 1
595 1 123 ASN HA 1 124 ASN H 0.000 . 3.500 2.587 2.587 2.587 . 0 0 "[ ]" 1
596 1 123 ASN HB2 1 124 ASN H 0.000 . 5.000 4.580 4.580 4.580 . 0 0 "[ ]" 1
597 1 124 ASN HA 1 125 HIS H 0.000 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
598 1 124 ASN HB2 1 125 HIS H 0.000 . 5.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
599 1 125 HIS HA 1 126 ASN H 0.000 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
600 1 125 HIS HB3 1 126 ASN H 0.000 . 5.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
601 1 125 HIS HB2 1 126 ASN H 0.000 . 5.000 4.649 4.649 4.649 . 0 0 "[ ]" 1
602 1 126 ASN HA 1 127 TYR H 0.000 . 3.500 2.224 2.224 2.224 . 0 0 "[ ]" 1
603 1 126 ASN HB2 1 127 TYR H 0.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
604 1 127 TYR HA 1 128 THR H 0.000 . 2.700 2.343 2.343 2.343 . 0 0 "[ ]" 1
605 1 127 TYR HB3 1 128 THR H 0.000 . 5.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
606 1 127 TYR HB2 1 128 THR H 0.000 . 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
607 1 127 TYR QD 1 128 THR H 0.000 . 5.000 2.718 2.718 2.718 . 0 0 "[ ]" 1
608 1 128 THR HA 1 129 ASP H 0.000 . 5.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
609 1 128 THR HB 1 129 ASP H 0.000 . 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
610 1 128 THR MG 1 129 ASP H 0.000 . 5.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
611 1 129 ASP HA 1 130 CYS H 0.000 . 3.500 2.193 2.193 2.193 . 0 0 "[ ]" 1
612 1 129 ASP HB3 1 130 CYS H 0.000 . 5.000 3.859 3.859 3.859 . 0 0 "[ ]" 1
613 1 129 ASP HB2 1 130 CYS H 0.000 . 5.000 3.055 3.055 3.055 . 0 0 "[ ]" 1
614 1 130 CYS HA 1 131 THR H 0.000 . 3.500 2.277 2.277 2.277 . 0 0 "[ ]" 1
615 1 130 CYS HB3 1 131 THR H 0.000 . 5.000 4.105 4.105 4.105 . 0 0 "[ ]" 1
616 1 130 CYS HB2 1 131 THR H 0.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
617 1 131 THR HA 1 132 SER H 0.000 . 3.500 2.298 2.298 2.298 . 0 0 "[ ]" 1
618 1 131 THR HB 1 132 SER H 0.000 . 5.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
619 1 131 THR HG1 1 132 SER H 0.000 . 5.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
620 1 131 THR MG 1 132 SER H 0.000 . 5.000 3.748 3.748 3.748 . 0 0 "[ ]" 1
621 1 132 SER H 1 133 GLU HB2 0.000 . 5.000 4.736 4.736 4.736 . 0 0 "[ ]" 1
622 1 132 SER H 1 133 GLU QG 0.000 . 5.000 4.275 4.275 4.275 . 0 0 "[ ]" 1
623 1 133 GLU HA 1 134 GLY H 0.000 . 3.500 2.146 2.146 2.146 . 0 0 "[ ]" 1
624 1 133 GLU HB3 1 134 GLY H 0.000 . 5.000 3.720 3.720 3.720 . 0 0 "[ ]" 1
625 1 133 GLU QG 1 134 GLY H 0.000 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
626 1 134 GLY HA3 1 135 ARG H 0.000 . 5.000 3.347 3.347 3.347 . 0 0 "[ ]" 1
627 1 134 GLY HA2 1 135 ARG H 0.000 . 5.000 3.200 3.200 3.200 . 0 0 "[ ]" 1
628 1 135 ARG HA 1 136 ARG H 0.000 . 3.500 2.209 2.209 2.209 . 0 0 "[ ]" 1
629 1 135 ARG HB3 1 136 ARG H 0.000 . 5.000 2.983 2.983 2.983 . 0 0 "[ ]" 1
630 1 136 ARG HA 1 137 ASP H 0.000 . 5.000 3.123 3.123 3.123 . 0 0 "[ ]" 1
631 1 136 ARG HB3 1 137 ASP H 0.000 . 5.000 4.098 4.098 4.098 . 0 0 "[ ]" 1
632 1 136 ARG HB2 1 137 ASP H 0.000 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 1
633 1 137 ASP HA 1 138 ASN H 0.000 . 5.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
634 1 137 ASP HB2 1 138 ASN H 0.000 . 5.000 3.344 3.344 3.344 . 0 0 "[ ]" 1
635 1 138 ASN HA 1 139 MET H 0.000 . 5.000 2.245 2.245 2.245 . 0 0 "[ ]" 1
636 1 138 ASN HB3 1 139 MET H 0.000 . 5.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
637 1 138 ASN HB2 1 139 MET H 0.000 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
638 1 139 MET H 1 140 LYS HB3 0.000 . 5.000 4.538 4.538 4.538 . 0 0 "[ ]" 1
639 1 139 MET HA 1 140 LYS H 0.000 . 2.700 2.626 2.626 2.626 . 0 0 "[ ]" 1
640 1 139 MET HB2 1 140 LYS H 0.000 . 5.000 4.623 4.623 4.623 . 0 0 "[ ]" 1
641 1 139 MET HG3 1 140 LYS H 0.000 . 5.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
642 1 139 MET HG2 1 140 LYS H 0.000 . 5.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
643 1 140 LYS HA 1 141 TRP H 0.000 . 5.000 2.221 2.221 2.221 . 0 0 "[ ]" 1
644 1 141 TRP HA 1 142 CYS H 0.000 . 5.000 2.414 2.414 2.414 . 0 0 "[ ]" 1
645 1 141 TRP HB3 1 142 CYS H 0.000 . 5.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
646 1 141 TRP HE3 1 142 CYS H 0.000 . 5.000 2.453 2.453 2.453 . 0 0 "[ ]" 1
647 1 142 CYS HA 1 143 GLY H 0.000 . 5.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
648 1 142 CYS HB3 1 143 GLY H 0.000 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
649 1 142 CYS HB2 1 143 GLY H 0.000 . 5.000 2.020 2.020 2.020 . 0 0 "[ ]" 1
650 1 143 GLY HA3 1 144 THR H 0.000 . 5.000 2.176 2.176 2.176 . 0 0 "[ ]" 1
651 1 143 GLY HA2 1 144 THR H 0.000 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
652 1 144 THR HA 1 145 THR H 0.000 . 5.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
653 1 144 THR MG 1 145 THR H 0.000 . 5.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
654 1 145 THR HB 1 146 GLN H 0.000 . 3.500 2.294 2.294 2.294 . 0 0 "[ ]" 1
655 1 145 THR MG 1 146 GLN H 0.000 . 5.000 3.829 3.829 3.829 . 0 0 "[ ]" 1
656 1 146 GLN HA 1 147 ASN H 0.000 . 5.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
657 1 146 GLN HB3 1 147 ASN H 0.000 . 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
658 1 146 GLN HB2 1 147 ASN H 0.000 . 5.000 4.290 4.290 4.290 . 0 0 "[ ]" 1
659 1 146 GLN HG3 1 147 ASN H 0.000 . 5.000 2.688 2.688 2.688 . 0 0 "[ ]" 1
660 1 146 GLN HG2 1 147 ASN H 0.000 . 5.000 3.747 3.747 3.747 . 0 0 "[ ]" 1
661 1 147 ASN HA 1 148 TYR H 0.000 . 5.000 2.354 2.354 2.354 . 0 0 "[ ]" 1
662 1 147 ASN HB3 1 148 TYR H 0.000 . 5.000 4.197 4.197 4.197 . 0 0 "[ ]" 1
663 1 148 TYR HA 1 149 ASP H 0.000 . 5.000 3.574 3.574 3.574 . 0 0 "[ ]" 1
664 1 148 TYR HB3 1 149 ASP H 0.000 . 5.000 2.447 2.447 2.447 . 0 0 "[ ]" 1
665 1 148 TYR QD 1 149 ASP H 0.000 . 5.000 3.072 3.072 3.072 . 0 0 "[ ]" 1
666 1 148 TYR QE 1 149 ASP H 0.000 . 5.000 4.671 4.671 4.671 . 0 0 "[ ]" 1
667 1 149 ASP H 1 150 ALA MB 0.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 1
668 1 149 ASP HA 1 150 ALA H 0.000 . 5.000 3.395 3.395 3.395 . 0 0 "[ ]" 1
669 1 149 ASP HB3 1 150 ALA H 0.000 . 5.000 3.207 3.207 3.207 . 0 0 "[ ]" 1
670 1 149 ASP HB2 1 150 ALA H 0.000 . 5.000 4.198 4.198 4.198 . 0 0 "[ ]" 1
671 1 150 ALA H 1 151 ASP HA 0.000 . 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
672 1 150 ALA H 1 151 ASP HB2 0.000 . 5.000 4.293 4.293 4.293 . 0 0 "[ ]" 1
673 1 150 ALA HA 1 151 ASP H 0.000 . 5.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
674 1 150 ALA MB 1 151 ASP H 0.000 . 3.500 2.879 2.879 2.879 . 0 0 "[ ]" 1
675 1 152 GLN HA 1 153 LYS H 0.000 . 5.000 2.694 2.694 2.694 . 0 0 "[ ]" 1
676 1 153 LYS HA 1 154 PHE H 0.000 . 5.000 2.143 2.143 2.143 . 0 0 "[ ]" 1
677 1 154 PHE HA 1 155 GLY H 0.000 . 5.000 2.477 2.477 2.477 . 0 0 "[ ]" 1
678 1 154 PHE HB2 1 155 GLY H 0.000 . 5.000 2.368 2.368 2.368 . 0 0 "[ ]" 1
679 1 154 PHE HB3 1 155 GLY H 0.000 . 5.000 3.801 3.801 3.801 . 0 0 "[ ]" 1
680 1 154 PHE QD 1 155 GLY H 0.000 . 5.000 2.909 2.909 2.909 . 0 0 "[ ]" 1
681 1 155 GLY HA2 1 156 PHE H 0.000 . 5.000 2.957 2.957 2.957 . 0 0 "[ ]" 1
682 1 155 GLY HA3 1 156 PHE H 0.000 . 5.000 2.242 2.242 2.242 . 0 0 "[ ]" 1
683 1 156 PHE HA 1 157 CYS H 0.000 . 5.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
684 1 156 PHE HB3 1 157 CYS H 0.000 . 5.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
685 1 156 PHE QD 1 157 CYS H 0.000 . 5.000 3.847 3.847 3.847 . 0 0 "[ ]" 1
686 1 158 PRO HA 1 159 MET H 0.000 . 2.700 2.573 2.573 2.573 . 0 0 "[ ]" 1
687 1 158 PRO HB3 1 159 MET H 0.000 . 5.000 2.547 2.547 2.547 . 0 0 "[ ]" 1
688 1 159 MET HA 1 160 ALA H 0.000 . 5.000 3.471 3.471 3.471 . 0 0 "[ ]" 1
689 1 159 MET HB3 1 160 ALA H 0.000 . 5.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
690 1 159 MET HB2 1 160 ALA H 0.000 . 5.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
691 1 159 MET HG3 1 160 ALA H 0.000 . 5.000 2.125 2.125 2.125 . 0 0 "[ ]" 1
692 1 159 MET HG2 1 160 ALA H 0.000 . 5.000 3.621 3.621 3.621 . 0 0 "[ ]" 1
693 1 10 VAL HA 1 11 VAL MG1 0.000 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
694 1 13 SER HA 1 14 VAL MG1 0.000 . 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
695 1 46 THR HA 1 47 TYR QD 0.000 . 5.000 3.675 3.675 3.675 . 0 0 "[ ]" 1
696 1 47 TYR QD 1 48 GLY QA 0.000 . 5.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
697 1 54 GLU HB3 1 55 PRO HD3 0.000 . 3.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
698 1 54 GLU HB3 1 55 PRO HD2 0.000 . 5.000 1.913 1.913 1.913 . 0 0 "[ ]" 1
699 1 54 GLU HB2 1 55 PRO HD3 0.000 . 5.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
700 1 54 GLU HB2 1 55 PRO HD2 0.000 . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1
701 1 54 GLU HG3 1 55 PRO HD2 0.000 . 3.500 3.489 3.489 3.489 . 0 0 "[ ]" 1
702 1 54 GLU HG2 1 55 PRO HD3 0.000 . 3.500 1.875 1.875 1.875 . 0 0 "[ ]" 1
703 1 54 GLU HG2 1 55 PRO HD2 0.000 . 5.000 2.146 2.146 2.146 . 0 0 "[ ]" 1
704 1 54 GLU HA 1 55 PRO HD3 0.000 . 2.700 2.256 2.256 2.256 . 0 0 "[ ]" 1
705 1 54 GLU HA 1 55 PRO HD2 0.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
706 1 57 VAL MG1 1 58 LEU HA 0.000 . 5.000 4.559 4.559 4.559 . 0 0 "[ ]" 1
707 1 58 LEU MD2 1 59 PRO HA 0.000 . 5.000 3.480 3.480 3.480 . 0 0 "[ ]" 1
708 1 62 TYR HA 1 63 ASN HA 0.000 . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
709 1 62 TYR QD 1 63 ASN HB2 0.000 . 5.000 4.104 4.104 4.104 . 0 0 "[ ]" 1
710 1 62 TYR QE 1 63 ASN HB2 0.000 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
711 1 66 THR HA 1 67 PHE QD 0.000 . 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 1
712 1 66 THR HA 1 67 PHE QE 0.000 . 5.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
713 1 66 THR MG 1 67 PHE HA 0.000 . 5.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
714 1 66 THR MG 1 67 PHE QD 0.000 . 5.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
715 1 67 PHE HA 1 68 TYR QD 0.000 . 5.000 3.439 3.439 3.439 . 0 0 "[ ]" 1
716 1 70 CYS HA 1 71 THR MG 0.000 . 5.000 3.885 3.885 3.885 . 0 0 "[ ]" 1
717 1 71 THR MG 1 72 THR HA 0.000 . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
718 1 81 TRP HE3 1 82 CYS HA 0.000 . 5.000 3.442 3.442 3.442 . 0 0 "[ ]" 1
719 1 81 TRP HZ3 1 82 CYS HA 0.000 . 5.000 4.537 4.537 4.537 . 0 0 "[ ]" 1
720 1 88 TYR QD 1 89 GLU HA 0.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
721 1 88 TYR QE 1 89 GLU HA 0.000 . 5.000 3.829 3.829 3.829 . 0 0 "[ ]" 1
722 1 88 TYR QD 1 89 GLU HG3 0.000 . 5.000 2.583 2.583 2.583 . 0 0 "[ ]" 1
723 1 88 TYR QD 1 89 GLU HG2 0.000 . 5.000 2.106 2.106 2.106 . 0 0 "[ ]" 1
724 1 93 LYS HA 1 94 TYR QD 0.000 . 5.000 4.104 4.104 4.104 . 0 0 "[ ]" 1
725 1 94 TYR QD 1 95 SER HA 0.000 . 5.000 2.445 2.445 2.445 . 0 0 "[ ]" 1
726 1 94 TYR QE 1 95 SER HA 0.000 . 5.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
727 1 97 CYS HA 1 98 THR MG 0.000 . 5.000 3.078 3.078 3.078 . 0 0 "[ ]" 1
728 1 118 PHE QD 1 119 PRO HA 0.000 . 3.500 2.444 2.444 2.444 . 0 0 "[ ]" 1
729 1 122 TYR QE 1 123 ASN HA 0.000 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
730 1 122 TYR QE 1 123 ASN HB2 0.000 . 5.000 2.377 2.377 2.377 . 0 0 "[ ]" 1
731 1 126 ASN HA 1 127 TYR QD 0.000 . 5.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
732 1 125 HIS HD2 1 126 ASN HB2 0.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
733 1 131 THR MG 1 132 SER HA 0.000 . 5.000 4.177 4.177 4.177 . 0 0 "[ ]" 1
734 1 140 LYS HA 1 141 TRP HD1 0.000 . 5.000 3.781 3.781 3.781 . 0 0 "[ ]" 1
735 1 141 TRP HE3 1 142 CYS HA 0.000 . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
736 1 148 TYR QD 1 149 ASP HA 0.000 . 5.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
737 1 148 TYR QE 1 149 ASP HA 0.000 . 5.000 4.260 4.260 4.260 . 0 0 "[ ]" 1
738 1 153 LYS HA 1 154 PHE QD 0.000 . 5.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
739 1 157 CYS HA 1 158 PRO HD3 0.000 . 3.500 2.115 2.115 2.115 . 0 0 "[ ]" 1
740 1 157 CYS HA 1 158 PRO HD2 0.000 . 3.500 3.001 3.001 3.001 . 0 0 "[ ]" 1
741 1 6 THR H 1 10 VAL H 0.000 . 5.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
742 1 6 THR H 1 9 GLY H 0.000 . 5.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
743 1 8 SER H 1 10 VAL H 0.000 . 5.000 2.448 2.448 2.448 . 0 0 "[ ]" 1
744 1 7 ASP H 1 9 GLY H 0.000 . 5.000 4.817 4.817 4.817 . 0 0 "[ ]" 1
745 1 22 GLN H 1 25 LYS H 0.000 . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
746 1 23 GLY H 1 25 LYS H 0.000 . 5.000 3.873 3.873 3.873 . 0 0 "[ ]" 1
747 1 32 LEU H 1 35 GLY H 0.000 . 5.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
748 1 33 GLY H 1 35 GLY H 0.000 . 5.000 3.289 3.289 3.289 . 0 0 "[ ]" 1
749 1 50 ASN H 1 52 ASN H 0.000 . 5.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
750 1 51 SER H 1 53 GLY H 0.000 . 5.000 2.952 2.952 2.952 . 0 0 "[ ]" 1
751 1 52 ASN H 1 54 GLU H 0.000 . 5.000 4.131 4.131 4.131 . 0 0 "[ ]" 1
752 1 62 TYR H 1 65 ARG H 0.000 . 5.000 2.782 2.782 2.782 . 0 0 "[ ]" 1
753 1 63 ASN H 1 65 ARG H 0.000 . 5.000 4.373 4.373 4.373 . 0 0 "[ ]" 1
754 1 76 GLN H 1 78 GLY H 0.000 . 5.000 4.122 4.122 4.122 . 0 0 "[ ]" 1
755 1 77 ASP H 1 79 HIS H 0.000 . 5.000 4.512 4.512 4.512 . 0 0 "[ ]" 1
756 1 88 TYR H 1 90 GLN H 0.000 . 5.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
757 1 89 GLU H 1 91 ASP H 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
758 1 88 TYR H 1 91 ASP H 0.000 . 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 1
759 1 90 GLN H 1 92 GLN H 0.000 . 5.000 3.443 3.443 3.443 . 0 0 "[ ]" 1
760 1 108 GLY H 1 110 ASN H 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
761 1 110 ASN H 1 112 ASN H 0.000 . 5.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
762 1 112 ASN H 1 114 ALA H 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
763 1 122 TYR H 1 125 HIS H 0.000 . 3.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
764 1 150 ALA H 1 152 GLN H 0.000 . 5.000 3.498 3.498 3.498 . 0 0 "[ ]" 1
765 1 6 THR H 1 10 VAL HB 0.000 . 5.000 3.701 3.701 3.701 . 0 0 "[ ]" 1
766 1 6 THR H 1 10 VAL MG2 0.000 . 5.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
767 1 8 SER H 1 10 VAL MG2 0.000 . 5.000 2.075 2.075 2.075 . 0 0 "[ ]" 1
768 1 6 THR HA 1 8 SER H 0.000 . 5.000 4.993 4.993 4.993 . 0 0 "[ ]" 1
769 1 6 THR MG 1 8 SER H 0.000 . 5.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
770 1 7 ASP HA 1 9 GLY H 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
771 1 10 VAL H 1 12 TYR QE 0.000 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
772 1 6 THR HA 1 10 VAL H 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
773 1 6 THR MG 1 10 VAL H 0.000 . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
774 1 8 SER HA 1 10 VAL H 0.000 . 5.000 4.527 4.527 4.527 . 0 0 "[ ]" 1
775 1 14 VAL HA 1 16 MET H 0.000 . 5.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
776 1 14 VAL MG2 1 16 MET H 0.000 . 5.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
777 1 14 VAL MG1 1 16 MET H 0.000 . 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
778 1 18 TRP HE1 1 20 LYS QB 0.000 . 5.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
779 1 18 TRP HE1 1 20 LYS QD 0.000 . 5.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
780 1 22 GLN H 1 25 LYS QB 0.000 . 5.000 4.997 4.997 4.997 . 0 0 "[ ]" 1
781 1 22 GLN H 1 26 GLN HA 0.000 . 5.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
782 1 21 THR MG 1 23 GLY H 0.000 . 5.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
783 1 21 THR MG 1 24 ASN H 0.000 . 5.000 4.706 4.706 4.706 . 0 0 "[ ]" 1
784 1 21 THR HA 1 25 LYS H 0.000 . 5.000 4.119 4.119 4.119 . 0 0 "[ ]" 1
785 1 21 THR HB 1 25 LYS H 0.000 . 5.000 4.989 4.989 4.989 . 0 0 "[ ]" 1
786 1 21 THR MG 1 25 LYS H 0.000 . 5.000 3.150 3.150 3.150 . 0 0 "[ ]" 1
787 1 22 GLN HB3 1 25 LYS H 0.000 . 5.000 4.873 4.873 4.873 . 0 0 "[ ]" 1
788 1 23 GLY HA2 1 25 LYS H 0.000 . 5.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
789 1 23 GLY HA3 1 25 LYS H 0.000 . 5.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
790 1 32 LEU H 1 36 VAL HA 0.000 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
791 1 32 LEU HB2 1 34 ASN H 0.000 . 5.000 3.347 3.347 3.347 . 0 0 "[ ]" 1
792 1 32 LEU HB3 1 34 ASN H 0.000 . 5.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
793 1 31 CYS HA 1 35 GLY H 0.000 . 5.000 4.635 4.635 4.635 . 0 0 "[ ]" 1
794 1 32 LEU HB2 1 35 GLY H 0.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
795 1 32 LEU HB3 1 35 GLY H 0.000 . 5.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
796 1 36 VAL MG1 1 38 CYS H 0.000 . 5.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
797 1 40 GLU HB3 1 42 ALA H 0.000 . 5.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
798 1 40 GLU HB2 1 42 ALA H 0.000 . 5.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
799 1 40 GLU QG 1 42 ALA H 0.000 . 5.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
800 1 44 THR MG 1 46 THR H 0.000 . 5.000 3.337 3.337 3.337 . 0 0 "[ ]" 1
801 1 48 GLY H 1 52 ASN HA 0.000 . 5.000 4.770 4.770 4.770 . 0 0 "[ ]" 1
802 1 47 TYR QD 1 49 GLY H 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
803 1 49 GLY HA3 1 51 SER H 0.000 . 5.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
804 1 50 ASN HA 1 52 ASN H 0.000 . 5.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
805 1 51 SER HA 1 54 GLU H 0.000 . 5.000 4.714 4.714 4.714 . 0 0 "[ ]" 1
806 1 51 SER QB 1 54 GLU H 0.000 . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 1
807 1 58 LEU HA 1 60 PHE H 0.000 . 5.000 3.223 3.223 3.223 . 0 0 "[ ]" 1
808 1 58 LEU MD1 1 60 PHE H 0.000 . 5.000 4.858 4.858 4.858 . 0 0 "[ ]" 1
809 1 58 LEU MD2 1 60 PHE H 0.000 . 5.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
810 1 62 TYR H 1 65 ARG HG3 0.000 . 5.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
811 1 62 TYR H 1 66 THR HA 0.000 . 5.000 3.680 3.680 3.680 . 0 0 "[ ]" 1
812 1 63 ASN HD21 1 67 PHE QE 0.000 . 5.000 3.294 3.294 3.294 . 0 0 "[ ]" 1
813 1 63 ASN H 1 67 PHE QE 0.000 . 5.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
814 1 61 THR MG 1 64 GLY H 0.000 . 5.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
815 1 62 TYR HA 1 64 GLY H 0.000 . 5.000 3.421 3.421 3.421 . 0 0 "[ ]" 1
816 1 61 THR HA 1 65 ARG H 0.000 . 5.000 4.564 4.564 4.564 . 0 0 "[ ]" 1
817 1 61 THR MG 1 65 ARG H 0.000 . 5.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
818 1 62 TYR QD 1 65 ARG H 0.000 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
819 1 63 ASN HA 1 65 ARG H 0.000 . 5.000 4.777 4.777 4.777 . 0 0 "[ ]" 1
820 1 63 ASN HB3 1 65 ARG H 0.000 . 5.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
821 1 65 ARG H 1 67 PHE QD 0.000 . 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 1
822 1 65 ARG H 1 67 PHE QE 0.000 . 5.000 3.283 3.283 3.283 . 0 0 "[ ]" 1
823 1 65 ARG H 1 67 PHE HZ 0.000 . 5.000 3.865 3.865 3.865 . 0 0 "[ ]" 1
824 1 71 THR MG 1 73 GLU H 0.000 . 5.000 1.852 1.852 1.852 . 0 0 "[ ]" 1
825 1 71 THR MG 1 75 ARG H 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
826 1 73 GLU HA 1 75 ARG H 0.000 . 5.000 3.522 3.522 3.522 . 0 0 "[ ]" 1
827 1 75 ARG HB3 1 77 ASP H 0.000 . 5.000 3.369 3.369 3.369 . 0 0 "[ ]" 1
828 1 75 ARG HB3 1 78 GLY H 0.000 . 5.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
829 1 75 ARG HB2 1 78 GLY H 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
830 1 81 TRP HE3 1 83 SER H 0.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
831 1 81 TRP HZ3 1 83 SER H 0.000 . 5.000 4.178 4.178 4.178 . 0 0 "[ ]" 1
832 1 84 THR H 1 88 TYR QD 0.000 . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
833 1 83 SER HB3 1 85 THR H 0.000 . 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
834 1 83 SER HB2 1 85 THR H 0.000 . 5.000 3.010 3.010 3.010 . 0 0 "[ ]" 1
835 1 85 THR H 1 88 TYR QD 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
836 1 85 THR HA 1 87 ASN H 0.000 . 5.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
837 1 85 THR MG 1 87 ASN H 0.000 . 5.000 4.385 4.385 4.385 . 0 0 "[ ]" 1
838 1 87 ASN HA 1 89 GLU H 0.000 . 5.000 4.424 4.424 4.424 . 0 0 "[ ]" 1
839 1 87 ASN HA 1 90 GLN H 0.000 . 5.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
840 1 87 ASN HB3 1 90 GLN H 0.000 . 5.000 3.339 3.339 3.339 . 0 0 "[ ]" 1
841 1 88 TYR HA 1 90 GLN H 0.000 . 5.000 3.922 3.922 3.922 . 0 0 "[ ]" 1
842 1 88 TYR HA 1 91 ASP H 0.000 . 5.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
843 1 89 GLU HA 1 92 GLN HE21 0.000 . 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
844 1 89 GLU HA 1 92 GLN HE22 0.000 . 5.000 3.328 3.328 3.328 . 0 0 "[ ]" 1
845 1 88 TYR HA 1 92 GLN H 0.000 . 5.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
846 1 90 GLN HB2 1 92 GLN H 0.000 . 5.000 4.981 4.981 4.981 . 0 0 "[ ]" 1
847 1 97 CYS QB 1 99 ASP H 0.000 . 5.000 4.812 4.812 4.812 . 0 0 "[ ]" 1
848 1 98 THR HA 1 100 HIS H 0.000 . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
849 1 98 THR MG 1 100 HIS H 0.000 . 5.000 5.022 5.022 5.022 0.022 1 0 "[ ]" 1
850 1 99 ASP HA 1 101 THR H 0.000 . 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
851 1 101 THR MG 1 103 LEU H 0.000 . 5.000 4.961 4.961 4.961 . 0 0 "[ ]" 1
852 1 104 VAL MG1 1 106 THR H 0.000 . 5.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
853 1 109 GLY HA2 1 111 SER H 0.000 . 5.000 3.722 3.722 3.722 . 0 0 "[ ]" 1
854 1 110 ASN HA 1 112 ASN H 0.000 . 5.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
855 1 111 SER HB3 1 114 ALA H 0.000 . 5.000 4.883 4.883 4.883 . 0 0 "[ ]" 1
856 1 111 SER HB2 1 114 ALA H 0.000 . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
857 1 112 ASN HA 1 114 ALA H 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
858 1 114 ALA HA 1 116 CYS H 0.000 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
859 1 118 PHE QD 1 120 PHE H 0.000 . 5.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
860 1 121 LEU MD1 1 124 ASN H 0.000 . 5.000 1.746 1.746 1.746 . 0 0 "[ ]" 1
861 1 121 LEU MD2 1 124 ASN H 0.000 . 5.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
862 1 121 LEU HG 1 124 ASN H 0.000 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
863 1 122 TYR HA 1 124 ASN H 0.000 . 5.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
864 1 121 LEU HA 1 125 HIS H 0.000 . 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
865 1 121 LEU MD1 1 125 HIS H 0.000 . 5.000 2.309 2.309 2.309 . 0 0 "[ ]" 1
866 1 121 LEU MD2 1 125 HIS H 0.000 . 5.000 1.829 1.829 1.829 . 0 0 "[ ]" 1
867 1 121 LEU HG 1 125 HIS H 0.000 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
868 1 123 ASN HA 1 125 HIS H 0.000 . 5.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
869 1 125 HIS H 1 127 TYR QD 0.000 . 5.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
870 1 125 HIS H 1 127 TYR QE 0.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
871 1 127 TYR HA 1 129 ASP H 0.000 . 5.000 4.768 4.768 4.768 . 0 0 "[ ]" 1
872 1 127 TYR HB2 1 129 ASP H 0.000 . 5.000 4.780 4.780 4.780 . 0 0 "[ ]" 1
873 1 127 TYR QD 1 129 ASP H 0.000 . 5.000 3.966 3.966 3.966 . 0 0 "[ ]" 1
874 1 129 ASP HA 1 131 THR H 0.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
875 1 131 THR HA 1 133 GLU H 0.000 . 5.000 4.515 4.515 4.515 . 0 0 "[ ]" 1
876 1 131 THR HG1 1 133 GLU H 0.000 . 5.000 3.924 3.924 3.924 . 0 0 "[ ]" 1
877 1 131 THR MG 1 133 GLU H 0.000 . 5.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
878 1 133 GLU HA 1 135 ARG H 0.000 . 5.000 3.526 3.526 3.526 . 0 0 "[ ]" 1
879 1 135 ARG HB3 1 137 ASP H 0.000 . 5.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
880 1 135 ARG HB2 1 137 ASP H 0.000 . 5.000 3.970 3.970 3.970 . 0 0 "[ ]" 1
881 1 135 ARG HG2 1 137 ASP H 0.000 . 5.000 4.948 4.948 4.948 . 0 0 "[ ]" 1
882 1 135 ARG HB3 1 139 MET H 0.000 . 5.000 4.769 4.769 4.769 . 0 0 "[ ]" 1
883 1 137 ASP HB2 1 139 MET H 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
884 1 143 GLY HA2 1 145 THR H 0.000 . 5.000 3.004 3.004 3.004 . 0 0 "[ ]" 1
885 1 145 THR HB 1 147 ASN H 0.000 . 5.000 3.100 3.100 3.100 . 0 0 "[ ]" 1
886 1 147 ASN H 1 150 ALA MB 0.000 . 5.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
887 1 147 ASN HA 1 149 ASP H 0.000 . 5.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
888 1 147 ASN HB2 1 150 ALA H 0.000 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
889 1 148 TYR HA 1 151 ASP H 0.000 . 5.000 3.361 3.361 3.361 . 0 0 "[ ]" 1
890 1 149 ASP HA 1 152 GLN HE21 0.000 . 5.000 3.275 3.275 3.275 . 0 0 "[ ]" 1
891 1 149 ASP HA 1 152 GLN HE22 0.000 . 5.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
892 1 148 TYR HA 1 152 GLN H 0.000 . 5.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
893 1 6 THR MG 1 10 VAL HB 0.000 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 1
894 1 10 VAL HB 1 12 TYR QE 0.000 . 5.000 2.371 2.371 2.371 . 0 0 "[ ]" 1
895 1 10 VAL MG2 1 12 TYR QE 0.000 . 5.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
896 1 10 VAL MG1 1 12 TYR QE 0.000 . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
897 1 6 THR MG 1 10 VAL MG1 0.000 . 5.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
898 1 12 TYR QE 1 16 MET ME 0.000 . 5.000 4.597 4.597 4.597 . 0 0 "[ ]" 1
899 1 13 SER HB3 1 16 MET ME 0.000 . 5.000 4.796 4.796 4.796 . 0 0 "[ ]" 1
900 1 13 SER HB2 1 16 MET ME 0.000 . 5.000 3.365 3.365 3.365 . 0 0 "[ ]" 1
901 1 18 TRP HD1 1 20 LYS QD 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
902 1 30 THR MG 1 32 LEU HB2 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
903 1 30 THR MG 1 32 LEU HG 0.000 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 1
904 1 30 THR HB 1 32 LEU HG 0.000 . 5.000 4.172 4.172 4.172 . 0 0 "[ ]" 1
905 1 44 THR MG 1 46 THR HA 0.000 . 5.000 3.473 3.473 3.473 . 0 0 "[ ]" 1
906 1 56 CYS HB3 1 58 LEU MD1 0.000 . 5.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
907 1 56 CYS HB2 1 58 LEU MD1 0.000 . 5.000 2.968 2.968 2.968 . 0 0 "[ ]" 1
908 1 56 CYS HB3 1 58 LEU MD2 0.000 . 3.500 3.447 3.447 3.447 . 0 0 "[ ]" 1
909 1 56 CYS HB2 1 58 LEU MD2 0.000 . 5.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
910 1 58 LEU MD2 1 60 PHE QD 0.000 . 5.000 1.825 1.825 1.825 . 0 0 "[ ]" 1
911 1 58 LEU MD2 1 60 PHE QE 0.000 . 5.000 2.042 2.042 2.042 . 0 0 "[ ]" 1
912 1 58 LEU MD2 1 60 PHE HZ 0.000 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
913 1 56 CYS HB3 1 58 LEU HG 0.000 . 5.000 3.340 3.340 3.340 . 0 0 "[ ]" 1
914 1 56 CYS HB2 1 58 LEU HG 0.000 . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
915 1 65 ARG QB 1 67 PHE QE 0.000 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
916 1 65 ARG QB 1 67 PHE HZ 0.000 . 5.000 3.081 3.081 3.081 . 0 0 "[ ]" 1
917 1 65 ARG QD 1 67 PHE QE 0.000 . 3.500 3.510 3.510 3.510 0.010 1 0 "[ ]" 1
918 1 65 ARG HG3 1 67 PHE QD 0.000 . 5.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
919 1 65 ARG HG3 1 67 PHE QE 0.000 . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
920 1 65 ARG HG3 1 67 PHE HZ 0.000 . 3.500 2.859 2.859 2.859 . 0 0 "[ ]" 1
921 1 66 THR HB 1 68 TYR QD 0.000 . 5.000 4.047 4.047 4.047 . 0 0 "[ ]" 1
922 1 66 THR HB 1 68 TYR QE 0.000 . 3.500 3.276 3.276 3.276 . 0 0 "[ ]" 1
923 1 66 THR MG 1 68 TYR QD 0.000 . 5.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
924 1 66 THR MG 1 68 TYR QE 0.000 . 2.700 2.602 2.602 2.602 . 0 0 "[ ]" 1
925 1 67 PHE QD 1 71 THR HB 0.000 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1
926 1 67 PHE QE 1 71 THR HB 0.000 . 5.000 4.112 4.112 4.112 . 0 0 "[ ]" 1
927 1 67 PHE QD 1 71 THR MG 0.000 . 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
928 1 67 PHE QE 1 71 THR MG 0.000 . 5.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
929 1 67 PHE HZ 1 71 THR MG 0.000 . 5.000 3.779 3.779 3.779 . 0 0 "[ ]" 1
930 1 71 THR MG 1 73 GLU HA 0.000 . 5.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
931 1 71 THR MG 1 73 GLU QB 0.000 . 2.700 1.827 1.827 1.827 . 0 0 "[ ]" 1
932 1 71 THR MG 1 73 GLU QG 0.000 . 5.000 2.307 2.307 2.307 . 0 0 "[ ]" 1
933 1 81 TRP HZ3 1 83 SER HA 0.000 . 5.000 4.092 4.092 4.092 . 0 0 "[ ]" 1
934 1 88 TYR QD 1 92 GLN HA 0.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
935 1 88 TYR QE 1 92 GLN HA 0.000 . 3.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
936 1 89 GLU HA 1 92 GLN HB2 0.000 . 5.000 4.048 4.048 4.048 . 0 0 "[ ]" 1
937 1 89 GLU HA 1 92 GLN QG 0.000 . 5.000 5.000 5.000 5.000 . 1 0 "[ ]" 1
938 1 94 TYR QD 1 96 PHE QD 0.000 . 5.000 3.607 3.607 3.607 . 0 0 "[ ]" 1
939 1 94 TYR QD 1 96 PHE QE 0.000 . 3.500 3.280 3.280 3.280 . 0 0 "[ ]" 1
940 1 94 TYR QE 1 96 PHE QD 0.000 . 5.000 3.785 3.785 3.785 . 0 0 "[ ]" 1
941 1 94 TYR QE 1 96 PHE QE 0.000 . 3.500 1.999 1.999 1.999 . 0 0 "[ ]" 1
942 1 94 TYR QE 1 96 PHE HZ 0.000 . 2.700 2.699 2.699 2.699 . 0 0 "[ ]" 1
943 1 116 CYS HB2 1 118 PHE HZ 0.000 . 5.000 5.294 5.294 5.294 0.294 1 0 "[ ]" 1
944 1 118 PHE HA 1 120 PHE HD1 0.000 . 5.000 3.111 3.111 3.111 . 0 0 "[ ]" 1
945 1 118 PHE QD 1 120 PHE HD1 0.000 . 3.500 2.740 2.740 2.740 . 0 0 "[ ]" 1
946 1 118 PHE QD 1 120 PHE HE1 0.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
947 1 117 HIS HD2 1 120 PHE HA 0.000 . 5.000 2.951 2.951 2.951 . 0 0 "[ ]" 1
948 1 121 LEU MD1 1 124 ASN HB3 0.000 . 5.000 3.721 3.721 3.721 . 0 0 "[ ]" 1
949 1 121 LEU MD1 1 124 ASN HB2 0.000 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
950 1 121 LEU MD2 1 124 ASN HA 0.000 . 2.700 2.163 2.163 2.163 . 0 0 "[ ]" 1
951 1 121 LEU MD2 1 124 ASN HB3 0.000 . 5.000 4.282 4.282 4.282 . 0 0 "[ ]" 1
952 1 121 LEU MD2 1 124 ASN HB2 0.000 . 5.000 3.846 3.846 3.846 . 0 0 "[ ]" 1
953 1 121 LEU HG 1 124 ASN HA 0.000 . 2.700 2.791 2.791 2.791 0.091 1 0 "[ ]" 1
954 1 121 LEU HG 1 124 ASN HB2 0.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
955 1 127 TYR QD 1 131 THR HA 0.000 . 5.000 5.007 5.007 5.007 0.007 1 0 "[ ]" 1
956 1 127 TYR QE 1 131 THR HA 0.000 . 5.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
957 1 127 TYR QD 1 131 THR HB 0.000 . 3.500 3.047 3.047 3.047 . 0 0 "[ ]" 1
958 1 127 TYR QE 1 131 THR HB 0.000 . 3.500 3.143 3.143 3.143 . 0 0 "[ ]" 1
959 1 127 TYR QD 1 131 THR MG 0.000 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1
960 1 127 TYR QE 1 131 THR MG 0.000 . 5.000 3.869 3.869 3.869 . 0 0 "[ ]" 1
961 1 131 THR MG 1 133 GLU HA 0.000 . 5.000 4.781 4.781 4.781 . 0 0 "[ ]" 1
962 1 131 THR MG 1 133 GLU HB3 0.000 . 5.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
963 1 131 THR MG 1 133 GLU HB2 0.000 . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1
964 1 131 THR MG 1 133 GLU QG 0.000 . 5.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
965 1 147 ASN HA 1 150 ALA MB 0.000 . 3.500 3.545 3.545 3.545 0.045 1 0 "[ ]" 1
966 1 147 ASN HB3 1 150 ALA MB 0.000 . 2.700 1.718 1.718 1.718 . 0 0 "[ ]" 1
967 1 147 ASN HB2 1 150 ALA MB 0.000 . 3.500 1.831 1.831 1.831 . 0 0 "[ ]" 1
968 1 148 TYR HA 1 151 ASP HB2 0.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
969 1 148 TYR QE 1 152 GLN HA 0.000 . 3.500 3.162 3.162 3.162 . 0 0 "[ ]" 1
970 1 154 PHE QE 1 156 PHE QE 0.000 . 5.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
971 1 154 PHE QE 1 156 PHE HZ 0.000 . 3.500 3.251 3.251 3.251 . 0 0 "[ ]" 1
972 1 4 CYS H 1 12 TYR H 0.000 . 5.000 2.719 2.719 2.719 . 0 0 "[ ]" 1
973 1 6 THR H 1 12 TYR H 0.000 . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
974 1 16 MET H 1 31 CYS H 0.000 . 5.000 2.976 2.976 2.976 . 0 0 "[ ]" 1
975 1 18 TRP H 1 29 CYS H 0.000 . 5.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
976 1 20 LYS H 1 27 MET H 0.000 . 5.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
977 1 22 GLN H 1 27 MET H 0.000 . 5.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
978 1 28 LEU H 1 39 GLN H 0.000 . 5.000 2.708 2.708 2.708 . 0 0 "[ ]" 1
979 1 30 THR H 1 37 SER H 0.000 . 5.000 2.701 2.701 2.701 . 0 0 "[ ]" 1
980 1 47 TYR H 1 96 PHE H 0.000 . 5.000 3.157 3.157 3.157 . 0 0 "[ ]" 1
981 1 50 ASN H 1 94 TYR H 0.000 . 5.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
982 1 60 PHE H 1 67 PHE H 0.000 . 5.000 3.625 3.625 3.625 . 0 0 "[ ]" 1
983 1 61 THR H 1 88 TYR H 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
984 1 71 THR H 1 81 TRP H 0.000 . 5.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
985 1 82 CYS H 1 95 SER H 0.000 . 5.000 2.262 2.262 2.262 . 0 0 "[ ]" 1
986 1 82 CYS H 1 97 CYS H 0.000 . 5.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
987 1 104 VAL H 1 116 CYS H 0.000 . 5.000 4.530 4.530 4.530 . 0 0 "[ ]" 1
988 1 106 THR H 1 116 CYS H 0.000 . 5.000 1.874 1.874 1.874 . 0 0 "[ ]" 1
989 1 107 ARG H 1 156 PHE H 0.000 . 5.000 2.560 2.560 2.560 . 0 0 "[ ]" 1
990 1 110 ASN H 1 154 PHE H 0.000 . 5.000 3.052 3.052 3.052 . 0 0 "[ ]" 1
991 1 106 THR H 1 114 ALA H 0.000 . 5.000 4.146 4.146 4.146 . 0 0 "[ ]" 1
992 1 120 PHE H 1 127 TYR H 0.000 . 5.000 3.027 3.027 3.027 . 0 0 "[ ]" 1
993 1 121 LEU H 1 148 TYR H 0.000 . 5.000 3.327 3.327 3.327 . 0 0 "[ ]" 1
994 1 120 PHE H 1 129 ASP H 0.000 . 5.000 4.428 4.428 4.428 . 0 0 "[ ]" 1
995 1 131 THR H 1 141 TRP H 0.000 . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
996 1 142 CYS H 1 155 GLY H 0.000 . 5.000 2.981 2.981 2.981 . 0 0 "[ ]" 1
997 1 3 HIS H 1 13 SER HA 0.000 . 5.000 3.084 3.084 3.084 . 0 0 "[ ]" 1
998 1 3 HIS H 1 14 VAL MG2 0.000 . 5.000 3.883 3.883 3.883 . 0 0 "[ ]" 1
999 1 3 HIS H 1 14 VAL MG1 0.000 . 5.000 1.717 1.717 1.717 . 0 0 "[ ]" 1
1000 1 4 CYS H 1 11 VAL MG2 0.000 . 5.000 2.528 2.528 2.528 . 0 0 "[ ]" 1
1001 1 4 CYS H 1 13 SER HA 0.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
1002 1 5 VAL H 1 11 VAL MG2 0.000 . 5.000 3.756 3.756 3.756 . 0 0 "[ ]" 1
1003 1 5 VAL H 1 36 VAL MG2 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1004 1 6 THR H 1 11 VAL MG1 0.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
1005 1 5 VAL HA 1 12 TYR H 0.000 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
1006 1 3 HIS HA 1 14 VAL H 0.000 . 5.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
1007 1 16 MET H 1 30 THR HB 0.000 . 5.000 5.018 5.018 5.018 0.018 1 0 "[ ]" 1
1008 1 16 MET H 1 30 THR MG 0.000 . 5.000 2.207 2.207 2.207 . 0 0 "[ ]" 1
1009 1 16 MET H 1 31 CYS HB3 0.000 . 5.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
1010 1 16 MET H 1 31 CYS HB2 0.000 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
1011 1 12 TYR QE 1 18 TRP HE1 0.000 . 5.000 3.744 3.744 3.744 . 0 0 "[ ]" 1
1012 1 18 TRP HE1 1 29 CYS HB3 0.000 . 5.000 3.485 3.485 3.485 . 0 0 "[ ]" 1
1013 1 18 TRP HE1 1 29 CYS HB2 0.000 . 5.000 3.732 3.732 3.732 . 0 0 "[ ]" 1
1014 1 18 TRP HE1 1 36 VAL MG1 0.000 . 5.000 4.348 4.348 4.348 . 0 0 "[ ]" 1
1015 1 6 THR MG 1 18 TRP HE1 0.000 . 5.000 2.195 2.195 2.195 . 0 0 "[ ]" 1
1016 1 18 TRP H 1 28 LEU HA 0.000 . 5.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
1017 1 18 TRP H 1 28 LEU MD1 0.000 . 5.000 3.402 3.402 3.402 . 0 0 "[ ]" 1
1018 1 18 TRP H 1 30 THR HA 0.000 . 5.000 3.448 3.448 3.448 . 0 0 "[ ]" 1
1019 1 20 LYS H 1 27 MET HB3 0.000 . 5.000 4.891 4.891 4.891 . 0 0 "[ ]" 1
1020 1 20 LYS H 1 27 MET HB2 0.000 . 5.000 3.836 3.836 3.836 . 0 0 "[ ]" 1
1021 1 20 LYS H 1 28 LEU HA 0.000 . 5.000 4.305 4.305 4.305 . 0 0 "[ ]" 1
1022 1 20 LYS H 1 28 LEU MD1 0.000 . 5.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
1023 1 22 GLN H 1 27 MET HG3 0.000 . 5.000 3.248 3.248 3.248 . 0 0 "[ ]" 1
1024 1 22 GLN H 1 27 MET HG2 0.000 . 5.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
1025 1 20 LYS QB 1 27 MET H 0.000 . 5.000 4.901 4.901 4.901 . 0 0 "[ ]" 1
1026 1 20 LYS QD 1 27 MET H 0.000 . 5.000 4.545 4.545 4.545 . 0 0 "[ ]" 1
1027 1 21 THR HA 1 27 MET H 0.000 . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
1028 1 28 LEU H 1 40 GLU HA 0.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
1029 1 17 GLN HA 1 29 CYS H 0.000 . 5.000 4.879 4.879 4.879 . 0 0 "[ ]" 1
1030 1 19 LEU HA 1 29 CYS H 0.000 . 5.000 3.378 3.378 3.378 . 0 0 "[ ]" 1
1031 1 30 THR H 1 36 VAL HA 0.000 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
1032 1 30 THR H 1 36 VAL MG1 0.000 . 5.000 2.588 2.588 2.588 . 0 0 "[ ]" 1
1033 1 30 THR H 1 38 CYS HA 0.000 . 5.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
1034 1 14 VAL HA 1 31 CYS H 0.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
1035 1 17 GLN HA 1 31 CYS H 0.000 . 5.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
1036 1 18 TRP HE3 1 31 CYS H 0.000 . 5.000 3.154 3.154 3.154 . 0 0 "[ ]" 1
1037 1 18 TRP HH2 1 31 CYS H 0.000 . 5.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
1038 1 18 TRP HZ3 1 31 CYS H 0.000 . 5.000 2.013 2.013 2.013 . 0 0 "[ ]" 1
1039 1 14 VAL MG2 1 33 GLY H 0.000 . 5.000 5.000 5.000 5.000 0.000 1 0 "[ ]" 1
1040 1 14 VAL MG1 1 33 GLY H 0.000 . 5.000 2.715 2.715 2.715 . 0 0 "[ ]" 1
1041 1 31 CYS HA 1 37 SER H 0.000 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
1042 1 32 LEU HB2 1 37 SER H 0.000 . 5.000 5.000 5.000 5.000 0.000 1 0 "[ ]" 1
1043 1 32 LEU HG 1 37 SER H 0.000 . 5.000 4.737 4.737 4.737 . 0 0 "[ ]" 1
1044 1 27 MET ME 1 38 CYS H 0.000 . 5.000 4.784 4.784 4.784 . 0 0 "[ ]" 1
1045 1 27 MET HA 1 39 GLN H 0.000 . 5.000 4.448 4.448 4.448 . 0 0 "[ ]" 1
1046 1 27 MET ME 1 39 GLN H 0.000 . 5.000 3.008 3.008 3.008 . 0 0 "[ ]" 1
1047 1 28 LEU HG 1 39 GLN H 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
1048 1 29 CYS HA 1 39 GLN H 0.000 . 5.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
1049 1 27 MET HA 1 40 GLU H 0.000 . 5.000 4.793 4.793 4.793 . 0 0 "[ ]" 1
1050 1 27 MET ME 1 40 GLU H 0.000 . 5.000 2.128 2.128 2.128 . 0 0 "[ ]" 1
1051 1 27 MET HA 1 41 THR H 0.000 . 5.000 3.328 3.328 3.328 . 0 0 "[ ]" 1
1052 1 47 TYR H 1 97 CYS HA 0.000 . 5.000 3.702 3.702 3.702 . 0 0 "[ ]" 1
1053 1 48 GLY H 1 53 GLY HA2 0.000 . 5.000 2.332 2.332 2.332 . 0 0 "[ ]" 1
1054 1 49 GLY H 1 94 TYR QE 0.000 . 5.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
1055 1 49 GLY H 1 95 SER HA 0.000 . 5.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
1056 1 49 GLY H 1 96 PHE QD 0.000 . 5.000 3.555 3.555 3.555 . 0 0 "[ ]" 1
1057 1 49 GLY H 1 96 PHE QE 0.000 . 5.000 1.955 1.955 1.955 . 0 0 "[ ]" 1
1058 1 50 ASN H 1 94 TYR QE 0.000 . 5.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
1059 1 50 ASN H 1 95 SER HA 0.000 . 5.000 4.205 4.205 4.205 . 0 0 "[ ]" 1
1060 1 50 ASN HD21 1 94 TYR QD 0.000 . 3.500 3.500 3.500 3.500 . 1 0 "[ ]" 1
1061 1 50 ASN HD21 1 94 TYR QE 0.000 . 5.000 2.632 2.632 2.632 . 0 0 "[ ]" 1
1062 1 50 ASN HD22 1 94 TYR QD 0.000 . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
1063 1 51 SER H 1 94 TYR QD 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
1064 1 51 SER H 1 94 TYR QE 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1065 1 54 GLU H 1 84 THR MG 0.000 . 5.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
1066 1 54 GLU H 1 95 SER HG 0.000 . 5.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
1067 1 46 THR MG 1 56 CYS H 0.000 . 3.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
1068 1 57 VAL H 1 84 THR HA 0.000 . 5.000 3.151 3.151 3.151 . 0 0 "[ ]" 1
1069 1 60 PHE H 1 66 THR MG 0.000 . 5.000 3.680 3.680 3.680 . 0 0 "[ ]" 1
1070 1 60 PHE H 1 67 PHE HB3 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
1071 1 60 PHE H 1 67 PHE HB2 0.000 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
1072 1 60 PHE H 1 67 PHE QD 0.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
1073 1 60 PHE H 1 68 TYR HA 0.000 . 5.000 3.439 3.439 3.439 . 0 0 "[ ]" 1
1074 1 62 TYR H 1 67 PHE QD 0.000 . 5.000 2.936 2.936 2.936 . 0 0 "[ ]" 1
1075 1 62 TYR H 1 67 PHE QE 0.000 . 5.000 1.872 1.872 1.872 . 0 0 "[ ]" 1
1076 1 61 THR HA 1 66 THR H 0.000 . 5.000 4.474 4.474 4.474 . 0 0 "[ ]" 1
1077 1 61 THR MG 1 66 THR H 0.000 . 5.000 3.156 3.156 3.156 . 0 0 "[ ]" 1
1078 1 61 THR HA 1 67 PHE H 0.000 . 5.000 2.340 2.340 2.340 . 0 0 "[ ]" 1
1079 1 61 THR MG 1 67 PHE H 0.000 . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
1080 1 58 LEU MD1 1 70 CYS H 0.000 . 5.000 4.677 4.677 4.677 . 0 0 "[ ]" 1
1081 1 58 LEU MD2 1 70 CYS H 0.000 . 5.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
1082 1 70 CYS H 1 80 LEU MD2 0.000 . 5.000 4.496 4.496 4.496 . 0 0 "[ ]" 1
1083 1 60 PHE HZ 1 71 THR H 0.000 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
1084 1 71 THR H 1 80 LEU HA 0.000 . 5.000 4.319 4.319 4.319 . 0 0 "[ ]" 1
1085 1 71 THR H 1 80 LEU MD1 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
1086 1 71 THR H 1 80 LEU MD2 0.000 . 5.000 2.847 2.847 2.847 . 0 0 "[ ]" 1
1087 1 72 THR H 1 80 LEU HB3 0.000 . 5.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
1088 1 72 THR H 1 80 LEU MD2 0.000 . 5.000 2.058 2.058 2.058 . 0 0 "[ ]" 1
1089 1 72 THR H 1 81 TRP HE1 0.000 . 5.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
1090 1 73 GLU H 1 81 TRP HE1 0.000 . 5.000 2.969 2.969 2.969 . 0 0 "[ ]" 1
1091 1 75 ARG H 1 81 TRP HD1 0.000 . 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
1092 1 75 ARG H 1 81 TRP HE1 0.000 . 5.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
1093 1 72 THR MG 1 78 GLY H 0.000 . 5.000 4.039 4.039 4.039 . 0 0 "[ ]" 1
1094 1 72 THR MG 1 80 LEU H 0.000 . 5.000 3.660 3.660 3.660 . 0 0 "[ ]" 1
1095 1 71 THR MG 1 81 TRP HE1 0.000 . 5.000 3.086 3.086 3.086 . 0 0 "[ ]" 1
1096 1 72 THR HA 1 81 TRP HE1 0.000 . 5.000 3.128 3.128 3.128 . 0 0 "[ ]" 1
1097 1 73 GLU QB 1 81 TRP HE1 0.000 . 3.500 3.112 3.112 3.112 . 0 0 "[ ]" 1
1098 1 75 ARG HG3 1 81 TRP HE1 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
1099 1 75 ARG HG2 1 81 TRP HE1 0.000 . 5.000 3.899 3.899 3.899 . 0 0 "[ ]" 1
1100 1 70 CYS HA 1 81 TRP H 0.000 . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
1101 1 70 CYS HB2 1 81 TRP H 0.000 . 5.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
1102 1 71 THR MG 1 81 TRP H 0.000 . 5.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
1103 1 72 THR HA 1 81 TRP H 0.000 . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
1104 1 72 THR MG 1 81 TRP H 0.000 . 5.000 4.170 4.170 4.170 . 0 0 "[ ]" 1
1105 1 82 CYS H 1 94 TYR HA 0.000 . 5.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
1106 1 82 CYS H 1 94 TYR HB2 0.000 . 5.000 3.400 3.400 3.400 . 0 0 "[ ]" 1
1107 1 82 CYS H 1 94 TYR HB3 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1108 1 82 CYS H 1 94 TYR QD 0.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
1109 1 82 CYS H 1 96 PHE HA 0.000 . 5.000 3.773 3.773 3.773 . 0 0 "[ ]" 1
1110 1 60 PHE HZ 1 83 SER H 0.000 . 5.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
1111 1 84 THR H 1 94 TYR HA 0.000 . 5.000 2.063 2.063 2.063 . 0 0 "[ ]" 1
1112 1 84 THR H 1 94 TYR HB3 0.000 . 5.000 3.843 3.843 3.843 . 0 0 "[ ]" 1
1113 1 57 VAL HB 1 85 THR H 0.000 . 5.000 2.489 2.489 2.489 . 0 0 "[ ]" 1
1114 1 57 VAL MG2 1 85 THR H 0.000 . 5.000 2.598 2.598 2.598 . 0 0 "[ ]" 1
1115 1 57 VAL MG1 1 86 SER H 0.000 . 5.000 2.092 2.092 2.092 . 0 0 "[ ]" 1
1116 1 57 VAL MG2 1 86 SER H 0.000 . 5.000 3.288 3.288 3.288 . 0 0 "[ ]" 1
1117 1 57 VAL MG1 1 87 ASN H 0.000 . 5.000 4.659 4.659 4.659 . 0 0 "[ ]" 1
1118 1 60 PHE HB2 1 88 TYR H 0.000 . 5.000 3.635 3.635 3.635 . 0 0 "[ ]" 1
1119 1 85 THR MG 1 91 ASP H 0.000 . 5.000 4.740 4.740 4.740 . 0 0 "[ ]" 1
1120 1 50 ASN HD21 1 94 TYR H 0.000 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
1121 1 84 THR MG 1 94 TYR H 0.000 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 1
1122 1 81 TRP HE3 1 95 SER H 0.000 . 5.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
1123 1 83 SER HA 1 95 SER H 0.000 . 5.000 4.104 4.104 4.104 . 0 0 "[ ]" 1
1124 1 84 THR MG 1 95 SER H 0.000 . 5.000 3.343 3.343 3.343 . 0 0 "[ ]" 1
1125 1 46 THR HA 1 96 PHE H 0.000 . 5.000 4.915 4.915 4.915 . 0 0 "[ ]" 1
1126 1 46 THR MG 1 96 PHE H 0.000 . 5.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
1127 1 80 LEU HB3 1 97 CYS H 0.000 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
1128 1 81 TRP HA 1 97 CYS H 0.000 . 5.000 2.931 2.931 2.931 . 0 0 "[ ]" 1
1129 1 81 TRP HB3 1 97 CYS H 0.000 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
1130 1 44 THR MG 1 98 THR H 0.000 . 5.000 1.935 1.935 1.935 . 0 0 "[ ]" 1
1131 1 46 THR HA 1 98 THR H 0.000 . 5.000 4.320 4.320 4.320 . 0 0 "[ ]" 1
1132 1 46 THR MG 1 98 THR H 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
1133 1 47 TYR QD 1 98 THR H 0.000 . 5.000 4.132 4.132 4.132 . 0 0 "[ ]" 1
1134 1 47 TYR QE 1 98 THR H 0.000 . 5.000 3.470 3.470 3.470 . 0 0 "[ ]" 1
1135 1 44 THR MG 1 99 ASP H 0.000 . 5.000 4.999 4.999 4.999 . 0 0 "[ ]" 1
1136 1 47 TYR QE 1 99 ASP H 0.000 . 5.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
1137 1 80 LEU MD1 1 99 ASP H 0.000 . 5.000 3.129 3.129 3.129 . 0 0 "[ ]" 1
1138 1 80 LEU MD1 1 100 HIS H 0.000 . 5.000 1.816 1.816 1.816 . 0 0 "[ ]" 1
1139 1 80 LEU MD2 1 100 HIS H 0.000 . 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
1140 1 80 LEU MD1 1 101 THR H 0.000 . 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
1141 1 109 GLY H 1 156 PHE QD 0.000 . 5.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
1142 1 109 GLY H 1 156 PHE QE 0.000 . 5.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
1143 1 110 ASN H 1 154 PHE QD 0.000 . 5.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
1144 1 110 ASN H 1 154 PHE QE 0.000 . 5.000 3.928 3.928 3.928 . 0 0 "[ ]" 1
1145 1 110 ASN H 1 155 GLY HA2 0.000 . 5.000 4.891 4.891 4.891 . 0 0 "[ ]" 1
1146 1 110 ASN HD21 1 154 PHE H 0.000 . 5.000 3.392 3.392 3.392 . 0 0 "[ ]" 1
1147 1 110 ASN HD21 1 154 PHE QD 0.000 . 3.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
1148 1 110 ASN HD21 1 154 PHE QE 0.000 . 5.000 1.925 1.925 1.925 . 0 0 "[ ]" 1
1149 1 110 ASN HD22 1 154 PHE QD 0.000 . 5.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
1150 1 106 THR MG 1 114 ALA H 0.000 . 5.000 5.057 5.057 5.057 0.057 1 0 "[ ]" 1
1151 1 104 VAL HB 1 116 CYS H 0.000 . 5.000 3.772 3.772 3.772 . 0 0 "[ ]" 1
1152 1 104 VAL MG2 1 116 CYS H 0.000 . 5.000 5.043 5.043 5.043 0.043 1 0 "[ ]" 1
1153 1 104 VAL MG1 1 116 CYS H 0.000 . 5.000 2.727 2.727 2.727 . 0 0 "[ ]" 1
1154 1 106 THR MG 1 116 CYS H 0.000 . 5.000 3.278 3.278 3.278 . 0 0 "[ ]" 1
1155 1 104 VAL MG1 1 117 HIS H 0.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
1156 1 120 PHE H 1 128 THR HA 0.000 . 5.000 3.159 3.159 3.159 . 0 0 "[ ]" 1
1157 1 120 PHE H 1 128 THR MG 0.000 . 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
1158 1 121 LEU H 1 147 ASN HA 0.000 . 5.000 2.499 2.499 2.499 . 0 0 "[ ]" 1
1159 1 122 TYR H 1 127 TYR QD 0.000 . 5.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
1160 1 122 TYR H 1 127 TYR QE 0.000 . 5.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
1161 1 122 TYR H 1 147 ASN HA 0.000 . 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 1
1162 1 121 LEU MD2 1 126 ASN H 0.000 . 5.000 2.057 2.057 2.057 . 0 0 "[ ]" 1
1163 1 121 LEU HA 1 127 TYR H 0.000 . 5.000 2.678 2.678 2.678 . 0 0 "[ ]" 1
1164 1 121 LEU MD2 1 127 TYR H 0.000 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
1165 1 118 PHE QD 1 129 ASP H 0.000 . 5.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
1166 1 120 PHE HE1 1 130 CYS H 0.000 . 5.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
1167 1 120 PHE HZ 1 131 THR H 0.000 . 5.000 2.286 2.286 2.286 . 0 0 "[ ]" 1
1168 1 135 ARG H 1 141 TRP HE1 0.000 . 5.000 3.451 3.451 3.451 . 0 0 "[ ]" 1
1169 1 131 THR MG 1 141 TRP HE1 0.000 . 5.000 4.093 4.093 4.093 . 0 0 "[ ]" 1
1170 1 133 GLU H 1 141 TRP HE1 0.000 . 5.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
1171 1 135 ARG HG3 1 141 TRP HE1 0.000 . 5.000 2.464 2.464 2.464 . 0 0 "[ ]" 1
1172 1 106 THR MG 1 142 CYS H 0.000 . 5.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
1173 1 142 CYS H 1 154 PHE QD 0.000 . 5.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
1174 1 142 CYS H 1 156 PHE HA 0.000 . 5.000 4.068 4.068 4.068 . 0 0 "[ ]" 1
1175 1 144 THR H 1 154 PHE HA 0.000 . 5.000 2.888 2.888 2.888 . 0 0 "[ ]" 1
1176 1 117 HIS HB3 1 145 THR H 0.000 . 5.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
1177 1 121 LEU HB3 1 148 TYR H 0.000 . 5.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
1178 1 121 LEU HB3 1 149 ASP H 0.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
1179 1 121 LEU MD1 1 149 ASP H 0.000 . 5.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
1180 1 148 TYR HA 1 153 LYS H 0.000 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
1181 1 148 TYR QD 1 153 LYS H 0.000 . 5.000 1.872 1.872 1.872 . 0 0 "[ ]" 1
1182 1 111 SER HB3 1 154 PHE H 0.000 . 5.000 3.598 3.598 3.598 . 0 0 "[ ]" 1
1183 1 106 THR HB 1 155 GLY H 0.000 . 5.000 4.148 4.148 4.148 . 0 0 "[ ]" 1
1184 1 106 THR MG 1 155 GLY H 0.000 . 5.000 3.857 3.857 3.857 . 0 0 "[ ]" 1
1185 1 141 TRP HE3 1 155 GLY H 0.000 . 5.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
1186 1 144 THR MG 1 155 GLY H 0.000 . 5.000 3.718 3.718 3.718 . 0 0 "[ ]" 1
1187 1 106 THR HA 1 156 PHE H 0.000 . 5.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
1188 1 106 THR HB 1 156 PHE H 0.000 . 5.000 3.241 3.241 3.241 . 0 0 "[ ]" 1
1189 1 106 THR MG 1 156 PHE H 0.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
1190 1 106 THR HB 1 157 CYS H 0.000 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
1191 1 141 TRP HA 1 157 CYS H 0.000 . 5.000 2.657 2.657 2.657 . 0 0 "[ ]" 1
1192 1 121 LEU MD1 2 1 NAG HN2 0.000 . 5.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
1193 1 121 LEU MD2 2 1 NAG HN2 0.000 . 3.500 2.794 2.794 2.794 . 0 0 "[ ]" 1
1194 1 3 HIS HB3 1 13 SER HA 0.000 . 5.000 2.175 2.175 2.175 . 0 0 "[ ]" 1
1195 1 3 HIS HB2 1 13 SER HA 0.000 . 5.000 2.183 2.183 2.183 . 0 0 "[ ]" 1
1196 1 6 THR MG 1 12 TYR QE 0.000 . 2.700 2.269 2.269 2.269 . 0 0 "[ ]" 1
1197 1 6 THR MG 1 18 TRP HH2 0.000 . 5.000 3.448 3.448 3.448 . 0 0 "[ ]" 1
1198 1 6 THR MG 1 18 TRP HZ2 0.000 . 3.500 2.288 2.288 2.288 . 0 0 "[ ]" 1
1199 1 5 VAL HA 1 11 VAL HA 0.000 . 3.500 1.859 1.859 1.859 . 0 0 "[ ]" 1
1200 1 3 HIS HB2 1 11 VAL MG1 0.000 . 5.000 4.306 4.306 4.306 . 0 0 "[ ]" 1
1201 1 3 HIS HD2 1 11 VAL MG1 0.000 . 5.000 4.332 4.332 4.332 . 0 0 "[ ]" 1
1202 1 3 HIS HA 1 11 VAL MG2 0.000 . 5.000 3.661 3.661 3.661 . 0 0 "[ ]" 1
1203 1 3 HIS HB3 1 11 VAL MG2 0.000 . 3.500 3.263 3.263 3.263 . 0 0 "[ ]" 1
1204 1 3 HIS HB2 1 11 VAL MG2 0.000 . 3.500 2.077 2.077 2.077 . 0 0 "[ ]" 1
1205 1 3 HIS HD2 1 11 VAL MG2 0.000 . 3.500 1.839 1.839 1.839 . 0 0 "[ ]" 1
1206 1 4 CYS HB2 1 12 TYR HB2 0.000 . 5.000 4.366 4.366 4.366 . 0 0 "[ ]" 1
1207 1 12 TYR QE 1 18 TRP HD1 0.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
1208 1 12 TYR QE 1 18 TRP HZ2 0.000 . 5.000 4.710 4.710 4.710 . 0 0 "[ ]" 1
1209 1 3 HIS HA 1 13 SER HA 0.000 . 2.700 1.869 1.869 1.869 . 0 0 "[ ]" 1
1210 1 3 HIS HD2 1 13 SER HA 0.000 . 5.000 5.011 5.011 5.011 0.011 1 0 "[ ]" 1
1211 1 2 GLY HA3 1 14 VAL MG1 0.000 . 3.500 2.459 2.459 2.459 . 0 0 "[ ]" 1
1212 1 3 HIS HA 1 14 VAL MG1 0.000 . 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
1213 1 14 VAL MG1 1 33 GLY HA3 0.000 . 3.500 3.088 3.088 3.088 . 0 0 "[ ]" 1
1214 1 14 VAL MG1 1 33 GLY HA2 0.000 . 5.000 2.928 2.928 2.928 . 0 0 "[ ]" 1
1215 1 19 LEU MD1 1 26 GLN QB 0.000 . 5.000 2.549 2.549 2.549 . 0 0 "[ ]" 1
1216 1 19 LEU MD1 1 28 LEU HA 0.000 . 2.700 2.603 2.603 2.603 . 0 0 "[ ]" 1
1217 1 27 MET ME 1 38 CYS HB3 0.000 . 3.500 1.932 1.932 1.932 . 0 0 "[ ]" 1
1218 1 27 MET ME 1 40 GLU HA 0.000 . 2.700 2.342 2.342 2.342 . 0 0 "[ ]" 1
1219 1 27 MET ME 1 40 GLU QG 0.000 . 2.700 2.535 2.535 2.535 . 0 0 "[ ]" 1
1220 1 19 LEU HA 1 28 LEU HA 0.000 . 3.500 3.008 3.008 3.008 . 0 0 "[ ]" 1
1221 1 19 LEU HA 1 28 LEU MD1 0.000 . 5.000 3.387 3.387 3.387 . 0 0 "[ ]" 1
1222 1 29 CYS HA 1 38 CYS HA 0.000 . 2.700 1.902 1.902 1.902 . 0 0 "[ ]" 1
1223 1 29 CYS HB3 1 38 CYS HA 0.000 . 5.000 4.424 4.424 4.424 . 0 0 "[ ]" 1
1224 1 17 GLN HA 1 30 THR HA 0.000 . 3.500 1.872 1.872 1.872 . 0 0 "[ ]" 1
1225 1 18 TRP HE3 1 30 THR HA 0.000 . 2.700 2.711 2.711 2.711 0.011 1 0 "[ ]" 1
1226 1 17 GLN HA 1 30 THR MG 0.000 . 5.000 2.634 2.634 2.634 . 0 0 "[ ]" 1
1227 1 17 GLN HG3 1 30 THR MG 0.000 . 3.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
1228 1 17 GLN HG2 1 30 THR MG 0.000 . 3.500 2.053 2.053 2.053 . 0 0 "[ ]" 1
1229 1 14 VAL HA 1 31 CYS HB3 0.000 . 3.500 3.157 3.157 3.157 . 0 0 "[ ]" 1
1230 1 14 VAL HA 1 31 CYS HB2 0.000 . 5.000 4.376 4.376 4.376 . 0 0 "[ ]" 1
1231 1 31 CYS HA 1 36 VAL HA 0.000 . 2.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
1232 1 18 TRP HH2 1 36 VAL HB 0.000 . 5.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
1233 1 31 CYS HA 1 36 VAL HB 0.000 . 5.000 4.947 4.947 4.947 . 0 0 "[ ]" 1
1234 1 18 TRP HH2 1 36 VAL MG2 0.000 . 3.500 1.763 1.763 1.763 . 0 0 "[ ]" 1
1235 1 18 TRP HZ2 1 36 VAL MG2 0.000 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 1
1236 1 4 CYS HA 1 36 VAL MG2 0.000 . 5.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
1237 1 4 CYS HB2 1 36 VAL MG2 0.000 . 3.500 2.592 2.592 2.592 . 0 0 "[ ]" 1
1238 1 18 TRP HH2 1 36 VAL MG1 0.000 . 3.500 1.948 1.948 1.948 . 0 0 "[ ]" 1
1239 1 18 TRP HZ2 1 36 VAL MG1 0.000 . 2.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
1240 1 31 CYS HA 1 36 VAL MG1 0.000 . 5.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
1241 1 4 CYS HB2 1 36 VAL MG1 0.000 . 5.000 4.339 4.339 4.339 . 0 0 "[ ]" 1
1242 1 29 CYS HA 1 38 CYS HB2 0.000 . 5.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
1243 1 27 MET HA 1 40 GLU HA 0.000 . 2.700 2.700 2.700 2.700 . 0 0 "[ ]" 1
1244 1 44 THR MG 1 97 CYS HA 0.000 . 5.000 2.906 2.906 2.906 . 0 0 "[ ]" 1
1245 1 44 THR MG 1 97 CYS QB 0.000 . 3.500 1.755 1.755 1.755 . 0 0 "[ ]" 1
1246 1 45 GLN HB2 1 98 THR MG 0.000 . 5.000 3.015 3.015 3.015 . 0 0 "[ ]" 1
1247 1 46 THR HB 1 55 PRO HA 0.000 . 5.000 4.353 4.353 4.353 . 0 0 "[ ]" 1
1248 1 46 THR HB 1 97 CYS HA 0.000 . 5.000 4.647 4.647 4.647 . 0 0 "[ ]" 1
1249 1 46 THR MG 1 55 PRO HA 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
1250 1 46 THR MG 1 97 CYS HA 0.000 . 3.500 3.469 3.469 3.469 . 0 0 "[ ]" 1
1251 1 47 TYR QE 1 79 HIS HE1 0.000 . 5.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
1252 1 47 TYR QE 1 96 PHE QD 0.000 . 3.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
1253 1 48 GLY QA 1 96 PHE QD 0.000 . 5.000 2.378 2.378 2.378 . 0 0 "[ ]" 1
1254 1 49 GLY HA2 1 94 TYR QD 0.000 . 3.500 2.894 2.894 2.894 . 0 0 "[ ]" 1
1255 1 49 GLY HA2 1 94 TYR QE 0.000 . 3.500 2.502 2.502 2.502 . 0 0 "[ ]" 1
1256 1 49 GLY HA2 1 95 SER HA 0.000 . 3.500 2.497 2.497 2.497 . 0 0 "[ ]" 1
1257 1 49 GLY HA3 1 94 TYR QD 0.000 . 5.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
1258 1 49 GLY HA3 1 94 TYR QE 0.000 . 3.500 1.876 1.876 1.876 . 0 0 "[ ]" 1
1259 1 47 TYR HA 1 53 GLY HA3 0.000 . 5.000 2.764 2.764 2.764 . 0 0 "[ ]" 1
1260 1 47 TYR HA 1 53 GLY HA2 0.000 . 5.000 1.875 1.875 1.875 . 0 0 "[ ]" 1
1261 1 54 GLU HB2 1 84 THR HB 0.000 . 5.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
1262 1 57 VAL MG1 1 85 THR HA 0.000 . 3.500 2.714 2.714 2.714 . 0 0 "[ ]" 1
1263 1 57 VAL MG1 1 86 SER HA 0.000 . 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 1
1264 1 57 VAL MG1 1 86 SER HB2 0.000 . 2.700 2.700 2.700 2.700 . 0 0 "[ ]" 1
1265 1 57 VAL MG1 1 86 SER HB3 0.000 . 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 1
1266 1 57 VAL MG2 1 84 THR HA 0.000 . 3.500 1.927 1.927 1.927 . 0 0 "[ ]" 1
1267 1 57 VAL MG2 1 84 THR MG 0.000 . 3.500 3.402 3.402 3.402 . 0 0 "[ ]" 1
1268 1 57 VAL MG2 1 85 THR HA 0.000 . 2.700 1.849 1.849 1.849 . 0 0 "[ ]" 1
1269 1 57 VAL MG2 1 85 THR MG 0.000 . 2.700 2.707 2.707 2.707 0.007 1 0 "[ ]" 1
1270 1 58 LEU MD2 1 68 TYR HA 0.000 . 5.000 3.279 3.279 3.279 . 0 0 "[ ]" 1
1271 1 58 LEU MD2 1 82 CYS HA 0.000 . 5.000 3.505 3.505 3.505 . 0 0 "[ ]" 1
1272 1 58 LEU MD2 1 82 CYS HB3 0.000 . 5.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
1273 1 59 PRO HB3 1 68 TYR QD 0.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
1274 1 59 PRO HB3 1 68 TYR QE 0.000 . 5.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
1275 1 59 PRO HB2 1 68 TYR QD 0.000 . 5.000 4.967 4.967 4.967 . 0 0 "[ ]" 1
1276 1 59 PRO HB2 1 68 TYR QE 0.000 . 5.000 4.761 4.761 4.761 . 0 0 "[ ]" 1
1277 1 59 PRO HD3 1 68 TYR QE 0.000 . 5.000 4.988 4.988 4.988 . 0 0 "[ ]" 1
1278 1 59 PRO HG3 1 68 TYR QD 0.000 . 3.500 3.267 3.267 3.267 . 0 0 "[ ]" 1
1279 1 59 PRO HG3 1 68 TYR QE 0.000 . 5.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
1280 1 59 PRO HG2 1 68 TYR QD 0.000 . 5.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
1281 1 59 PRO HG2 1 68 TYR QE 0.000 . 5.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
1282 1 60 PHE HZ 1 67 PHE QD 0.000 . 5.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
1283 1 61 THR HA 1 67 PHE QD 0.000 . 5.000 2.462 2.462 2.462 . 0 0 "[ ]" 1
1284 1 61 THR HA 1 67 PHE QE 0.000 . 3.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
1285 1 61 THR HB 1 66 THR HA 0.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
1286 1 61 THR MG 1 66 THR HA 0.000 . 2.700 1.743 1.743 1.743 . 0 0 "[ ]" 1
1287 1 61 THR MG 1 66 THR HB 0.000 . 3.500 3.323 3.323 3.323 . 0 0 "[ ]" 1
1288 1 62 TYR HA 1 67 PHE QE 0.000 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
1289 1 62 TYR HA 1 88 TYR QD 0.000 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
1290 1 62 TYR HA 1 88 TYR QE 0.000 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
1291 1 62 TYR HB3 1 67 PHE QE 0.000 . 3.500 1.856 1.856 1.856 . 0 0 "[ ]" 1
1292 1 62 TYR HB3 1 81 TRP HH2 0.000 . 5.000 2.995 2.995 2.995 . 0 0 "[ ]" 1
1293 1 62 TYR HB3 1 81 TRP HZ2 0.000 . 5.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
1294 1 62 TYR HB2 1 67 PHE QE 0.000 . 3.500 3.349 3.349 3.349 . 0 0 "[ ]" 1
1295 1 62 TYR HB2 1 81 TRP HH2 0.000 . 5.000 2.723 2.723 2.723 . 0 0 "[ ]" 1
1296 1 62 TYR HB2 1 81 TRP HZ2 0.000 . 5.000 4.849 4.849 4.849 . 0 0 "[ ]" 1
1297 1 61 THR HA 1 66 THR HA 0.000 . 2.700 1.989 1.989 1.989 . 0 0 "[ ]" 1
1298 1 61 THR HA 1 66 THR HB 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
1299 1 59 PRO HB3 1 66 THR MG 0.000 . 2.700 2.684 2.684 2.684 . 0 0 "[ ]" 1
1300 1 59 PRO HB2 1 66 THR MG 0.000 . 3.500 2.980 2.980 2.980 . 0 0 "[ ]" 1
1301 1 61 THR HA 1 66 THR MG 0.000 . 3.500 3.316 3.316 3.316 . 0 0 "[ ]" 1
1302 1 60 PHE HZ 1 70 CYS HA 0.000 . 5.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
1303 1 60 PHE HZ 1 71 THR HB 0.000 . 5.000 3.961 3.961 3.961 . 0 0 "[ ]" 1
1304 1 60 PHE QE 1 71 THR MG 0.000 . 5.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
1305 1 60 PHE HZ 1 71 THR MG 0.000 . 2.700 2.178 2.178 2.178 . 0 0 "[ ]" 1
1306 1 71 THR MG 1 81 TRP HD1 0.000 . 5.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
1307 1 71 THR MG 1 81 TRP HH2 0.000 . 5.000 3.961 3.961 3.961 . 0 0 "[ ]" 1
1308 1 71 THR MG 1 81 TRP HZ2 0.000 . 3.500 3.125 3.125 3.125 . 0 0 "[ ]" 1
1309 1 71 THR MG 1 82 CYS HA 0.000 . 5.000 4.160 4.160 4.160 . 0 0 "[ ]" 1
1310 1 72 THR HA 1 81 TRP HD1 0.000 . 2.700 2.658 2.658 2.658 . 0 0 "[ ]" 1
1311 1 72 THR HB 1 81 TRP HD1 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
1312 1 72 THR MG 1 78 GLY HA3 0.000 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
1313 1 72 THR MG 1 78 GLY HA2 0.000 . 5.000 4.712 4.712 4.712 . 0 0 "[ ]" 1
1314 1 72 THR MG 1 80 LEU HA 0.000 . 3.500 1.946 1.946 1.946 . 0 0 "[ ]" 1
1315 1 72 THR MG 1 80 LEU HG 0.000 . 2.700 1.713 1.713 1.713 . 0 0 "[ ]" 1
1316 1 62 TYR QD 1 73 GLU QB 0.000 . 5.000 2.582 2.582 2.582 . 0 0 "[ ]" 1
1317 1 62 TYR QE 1 73 GLU QB 0.000 . 3.500 2.020 2.020 2.020 . 0 0 "[ ]" 1
1318 1 67 PHE QE 1 73 GLU QB 0.000 . 5.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
1319 1 67 PHE HZ 1 73 GLU QB 0.000 . 3.500 3.437 3.437 3.437 . 0 0 "[ ]" 1
1320 1 62 TYR QD 1 73 GLU QG 0.000 . 5.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
1321 1 62 TYR QE 1 73 GLU QG 0.000 . 3.500 3.500 3.500 3.500 0.000 1 0 "[ ]" 1
1322 1 67 PHE QE 1 73 GLU QG 0.000 . 3.500 1.982 1.982 1.982 . 0 0 "[ ]" 1
1323 1 62 TYR QE 1 74 GLY HA3 0.000 . 5.000 4.685 4.685 4.685 . 0 0 "[ ]" 1
1324 1 62 TYR QE 1 74 GLY HA2 0.000 . 5.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
1325 1 75 ARG HA 1 81 TRP HD1 0.000 . 5.000 4.125 4.125 4.125 . 0 0 "[ ]" 1
1326 1 75 ARG HB3 1 81 TRP HD1 0.000 . 5.000 3.808 3.808 3.808 . 0 0 "[ ]" 1
1327 1 75 ARG HB2 1 81 TRP HD1 0.000 . 5.000 2.612 2.612 2.612 . 0 0 "[ ]" 1
1328 1 75 ARG HD2 1 81 TRP HD1 0.000 . 5.000 2.545 2.545 2.545 . 0 0 "[ ]" 1
1329 1 75 ARG HG3 1 81 TRP HD1 0.000 . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 1
1330 1 72 THR HA 1 80 LEU HA 0.000 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
1331 1 80 LEU HB2 1 97 CYS QB 0.000 . 5.000 2.843 2.843 2.843 . 0 0 "[ ]" 1
1332 1 70 CYS HB2 1 80 LEU MD1 0.000 . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
1333 1 72 THR MG 1 80 LEU MD1 0.000 . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 1
1334 1 80 LEU MD1 1 97 CYS QB 0.000 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
1335 1 70 CYS HB2 1 80 LEU MD2 0.000 . 5.000 2.961 2.961 2.961 . 0 0 "[ ]" 1
1336 1 72 THR HA 1 80 LEU MD2 0.000 . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
1337 1 72 THR MG 1 80 LEU MD2 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
1338 1 80 LEU MD2 1 97 CYS QB 0.000 . 5.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
1339 1 81 TRP HA 1 94 TYR QD 0.000 . 5.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
1340 1 81 TRP HA 1 96 PHE QD 0.000 . 3.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
1341 1 81 TRP HB3 1 96 PHE HA 0.000 . 5.000 2.805 2.805 2.805 . 0 0 "[ ]" 1
1342 1 81 TRP HB2 1 94 TYR QD 0.000 . 5.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
1343 1 81 TRP HB2 1 96 PHE HA 0.000 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
1344 1 81 TRP HB2 1 96 PHE QD 0.000 . 3.500 3.170 3.170 3.170 . 0 0 "[ ]" 1
1345 1 62 TYR QD 1 81 TRP HH2 0.000 . 5.000 2.582 2.582 2.582 . 0 0 "[ ]" 1
1346 1 62 TYR QE 1 81 TRP HH2 0.000 . 3.500 3.442 3.442 3.442 . 0 0 "[ ]" 1
1347 1 81 TRP HH2 1 88 TYR QD 0.000 . 5.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
1348 1 81 TRP HH2 1 88 TYR QE 0.000 . 5.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
1349 1 62 TYR QD 1 81 TRP HZ2 0.000 . 3.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
1350 1 62 TYR QE 1 81 TRP HZ2 0.000 . 3.500 3.173 3.173 3.173 . 0 0 "[ ]" 1
1351 1 60 PHE HZ 1 82 CYS HA 0.000 . 3.500 2.743 2.743 2.743 . 0 0 "[ ]" 1
1352 1 70 CYS HA 1 82 CYS HA 0.000 . 5.000 3.106 3.106 3.106 . 0 0 "[ ]" 1
1353 1 70 CYS HA 1 82 CYS HB2 0.000 . 5.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
1354 1 83 SER HA 1 94 TYR HA 0.000 . 2.700 2.202 2.202 2.202 . 0 0 "[ ]" 1
1355 1 56 CYS HA 1 84 THR HA 0.000 . 3.500 2.035 2.035 2.035 . 0 0 "[ ]" 1
1356 1 46 THR HB 1 84 THR MG 0.000 . 5.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
1357 1 54 GLU HB3 1 84 THR MG 0.000 . 3.500 3.304 3.304 3.304 . 0 0 "[ ]" 1
1358 1 84 THR MG 1 94 TYR HA 0.000 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 1
1359 1 85 THR MG 1 91 ASP HB3 0.000 . 3.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
1360 1 85 THR MG 1 91 ASP HB2 0.000 . 3.500 2.997 2.997 2.997 . 0 0 "[ ]" 1
1361 1 85 THR MG 1 93 LYS QB 0.000 . 2.700 2.701 2.701 2.701 0.001 1 0 "[ ]" 1
1362 1 85 THR MG 1 93 LYS QE 0.000 . 3.500 3.499 3.499 3.499 . 0 0 "[ ]" 1
1363 1 60 PHE HA 1 86 SER HA 0.000 . 5.000 4.953 4.953 4.953 . 0 0 "[ ]" 1
1364 1 62 TYR QD 1 88 TYR QE 0.000 . 3.500 1.869 1.869 1.869 . 0 0 "[ ]" 1
1365 1 62 TYR QE 1 88 TYR QE 0.000 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
1366 1 81 TRP HE3 1 88 TYR QE 0.000 . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
1367 1 88 TYR QE 1 94 TYR QD 0.000 . 2.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
1368 1 88 TYR QD 1 94 TYR HA 0.000 . 5.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
1369 1 88 TYR QE 1 94 TYR HA 0.000 . 5.000 4.885 4.885 4.885 . 0 0 "[ ]" 1
1370 1 88 TYR QE 1 94 TYR HB2 0.000 . 5.000 4.356 4.356 4.356 . 0 0 "[ ]" 1
1371 1 88 TYR QE 1 94 TYR HB3 0.000 . 3.500 2.781 2.781 2.781 . 0 0 "[ ]" 1
1372 1 88 TYR QD 1 94 TYR QD 0.000 . 5.000 4.210 4.210 4.210 . 0 0 "[ ]" 1
1373 1 46 THR HA 1 95 SER HB3 0.000 . 5.000 3.900 3.900 3.900 . 0 0 "[ ]" 1
1374 1 46 THR HB 1 95 SER HB3 0.000 . 3.500 1.983 1.983 1.983 . 0 0 "[ ]" 1
1375 1 46 THR HA 1 95 SER HB2 0.000 . 5.000 4.860 4.860 4.860 . 0 0 "[ ]" 1
1376 1 81 TRP HA 1 96 PHE HA 0.000 . 2.700 1.983 1.983 1.983 . 0 0 "[ ]" 1
1377 1 47 TYR QD 1 96 PHE HB3 0.000 . 5.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
1378 1 47 TYR QE 1 96 PHE HB3 0.000 . 5.000 3.152 3.152 3.152 . 0 0 "[ ]" 1
1379 1 47 TYR QE 1 96 PHE HB2 0.000 . 5.000 2.580 2.580 2.580 . 0 0 "[ ]" 1
1380 1 46 THR HA 1 97 CYS HA 0.000 . 2.700 2.190 2.190 2.190 . 0 0 "[ ]" 1
1381 1 46 THR HA 1 97 CYS QB 0.000 . 5.000 3.190 3.190 3.190 . 0 0 "[ ]" 1
1382 1 47 TYR QD 1 98 THR HA 0.000 . 5.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
1383 1 47 TYR QE 1 98 THR HA 0.000 . 2.700 2.703 2.703 2.703 0.003 1 0 "[ ]" 1
1384 1 47 TYR QE 1 98 THR HB 0.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 1
1385 1 45 GLN HB3 1 98 THR MG 0.000 . 3.500 2.248 2.248 2.248 . 0 0 "[ ]" 1
1386 1 45 GLN HG3 1 98 THR MG 0.000 . 5.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
1387 1 45 GLN HG2 1 98 THR MG 0.000 . 5.000 4.038 4.038 4.038 . 0 0 "[ ]" 1
1388 1 46 THR HA 1 98 THR MG 0.000 . 5.000 4.210 4.210 4.210 . 0 0 "[ ]" 1
1389 1 47 TYR QD 1 98 THR MG 0.000 . 2.700 2.474 2.474 2.474 . 0 0 "[ ]" 1
1390 1 47 TYR QE 1 98 THR MG 0.000 . 2.700 2.196 2.196 2.196 . 0 0 "[ ]" 1
1391 1 104 VAL HB 1 118 PHE HZ 0.000 . 5.000 4.936 4.936 4.936 . 0 0 "[ ]" 1
1392 1 104 VAL MG2 1 118 PHE QD 0.000 . 5.000 1.838 1.838 1.838 . 0 0 "[ ]" 1
1393 1 104 VAL MG2 1 118 PHE QE 0.000 . 3.500 1.824 1.824 1.824 . 0 0 "[ ]" 1
1394 1 104 VAL MG2 1 118 PHE HZ 0.000 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
1395 1 104 VAL MG1 1 118 PHE QE 0.000 . 5.000 1.855 1.855 1.855 . 0 0 "[ ]" 1
1396 1 104 VAL MG1 1 118 PHE HZ 0.000 . 5.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
1397 1 104 VAL MG1 1 158 PRO HD3 0.000 . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 1
1398 1 104 VAL MG1 1 158 PRO HD2 0.000 . 3.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
1399 1 105 GLN HA 1 115 LEU HA 0.000 . 2.700 2.099 2.099 2.099 . 0 0 "[ ]" 1
1400 1 106 THR MG 1 118 PHE QE 0.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
1401 1 106 THR MG 1 155 GLY HA2 0.000 . 3.500 3.386 3.386 3.386 . 0 0 "[ ]" 1
1402 1 106 THR MG 1 157 CYS HA 0.000 . 5.000 1.960 1.960 1.960 . 0 0 "[ ]" 1
1403 1 108 GLY HA2 1 156 PHE QD 0.000 . 5.000 1.974 1.974 1.974 . 0 0 "[ ]" 1
1404 1 109 GLY HA3 1 154 PHE QE 0.000 . 5.000 2.822 2.822 2.822 . 0 0 "[ ]" 1
1405 1 116 CYS HA 1 144 THR HA 0.000 . 2.700 1.959 1.959 1.959 . 0 0 "[ ]" 1
1406 1 121 LEU HA 1 126 ASN HA 0.000 . 2.700 1.886 1.886 1.886 . 0 0 "[ ]" 1
1407 1 121 LEU MD2 2 1 NAG H1 0.000 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
1408 1 122 TYR HA 1 148 TYR QD 0.000 . 3.500 3.251 3.251 3.251 . 0 0 "[ ]" 1
1409 1 122 TYR HB3 1 127 TYR QE 0.000 . 5.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
1410 1 122 TYR HB2 1 127 TYR QE 0.000 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
1411 1 122 TYR QD 1 148 TYR QD 0.000 . 2.700 1.863 1.863 1.863 . 0 0 "[ ]" 1
1412 1 122 TYR QE 1 148 TYR QD 0.000 . 3.500 3.467 3.467 3.467 . 0 0 "[ ]" 1
1413 1 120 PHE HZ 1 127 TYR HB3 0.000 . 5.000 3.172 3.172 3.172 . 0 0 "[ ]" 1
1414 1 120 PHE HZ 1 127 TYR HB2 0.000 . 5.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
1415 1 118 PHE HA 1 128 THR HA 0.000 . 5.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
1416 1 118 PHE QD 1 128 THR HA 0.000 . 2.700 2.080 2.080 2.080 . 0 0 "[ ]" 1
1417 1 118 PHE QE 1 128 THR HA 0.000 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
1418 1 119 PRO HA 1 128 THR HA 0.000 . 3.500 2.355 2.355 2.355 . 0 0 "[ ]" 1
1419 1 118 PHE HA 1 128 THR MG 0.000 . 5.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
1420 1 118 PHE QD 1 128 THR MG 0.000 . 5.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
1421 1 119 PRO HA 1 128 THR MG 0.000 . 3.500 1.946 1.946 1.946 . 0 0 "[ ]" 1
1422 1 119 PRO QB 1 128 THR MG 0.000 . 3.500 1.802 1.802 1.802 . 0 0 "[ ]" 1
1423 1 119 PRO HD2 1 128 THR MG 0.000 . 5.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
1424 1 119 PRO HG3 1 128 THR MG 0.000 . 3.500 1.781 1.781 1.781 . 0 0 "[ ]" 1
1425 1 119 PRO HG2 1 128 THR MG 0.000 . 3.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
1426 1 118 PHE QD 1 129 ASP HA 0.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
1427 1 118 PHE QE 1 129 ASP HA 0.000 . 3.500 2.307 2.307 2.307 . 0 0 "[ ]" 1
1428 1 118 PHE HZ 1 129 ASP HA 0.000 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
1429 1 118 PHE QE 1 130 CYS HA 0.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
1430 1 118 PHE HZ 1 130 CYS HA 0.000 . 5.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
1431 1 120 PHE HD2 1 131 THR MG 0.000 . 5.000 4.546 4.546 4.546 . 0 0 "[ ]" 1
1432 1 120 PHE HE2 1 131 THR MG 0.000 . 5.000 2.560 2.560 2.560 . 0 0 "[ ]" 1
1433 1 120 PHE HZ 1 131 THR MG 0.000 . 2.700 1.725 1.725 1.725 . 0 0 "[ ]" 1
1434 1 122 TYR QE 1 131 THR MG 0.000 . 5.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
1435 1 131 THR MG 1 141 TRP HD1 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1436 1 131 THR MG 1 141 TRP HZ2 0.000 . 3.500 3.288 3.288 3.288 . 0 0 "[ ]" 1
1437 1 122 TYR QD 1 133 GLU HB3 0.000 . 5.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
1438 1 122 TYR QE 1 133 GLU HB3 0.000 . 3.500 3.132 3.132 3.132 . 0 0 "[ ]" 1
1439 1 122 TYR QE 1 133 GLU HB2 0.000 . 5.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
1440 1 122 TYR QE 1 133 GLU QG 0.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
1441 1 135 ARG HB3 1 141 TRP HD1 0.000 . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
1442 1 135 ARG HB2 1 141 TRP HD1 0.000 . 5.000 3.172 3.172 3.172 . 0 0 "[ ]" 1
1443 1 135 ARG HD3 1 141 TRP HD1 0.000 . 3.500 2.399 2.399 2.399 . 0 0 "[ ]" 1
1444 1 135 ARG HD2 1 141 TRP HD1 0.000 . 3.500 3.175 3.175 3.175 . 0 0 "[ ]" 1
1445 1 135 ARG HG3 1 141 TRP HD1 0.000 . 5.000 2.617 2.617 2.617 . 0 0 "[ ]" 1
1446 1 135 ARG HG2 1 141 TRP HD1 0.000 . 5.000 4.183 4.183 4.183 . 0 0 "[ ]" 1
1447 1 139 MET HA 1 156 PHE QD 0.000 . 5.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
1448 1 139 MET HB3 1 156 PHE QE 0.000 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
1449 1 139 MET HB2 1 156 PHE QE 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
1450 1 139 MET ME 1 156 PHE QD 0.000 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
1451 1 139 MET ME 1 156 PHE QE 0.000 . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
1452 1 139 MET ME 1 156 PHE HZ 0.000 . 5.000 4.783 4.783 4.783 . 0 0 "[ ]" 1
1453 1 139 MET HG3 1 156 PHE QE 0.000 . 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
1454 1 132 SER HA 1 140 LYS HA 0.000 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
1455 1 141 TRP HA 1 154 PHE QD 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
1456 1 141 TRP HA 1 156 PHE QD 0.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
1457 1 141 TRP HB3 1 154 PHE QD 0.000 . 5.000 3.594 3.594 3.594 . 0 0 "[ ]" 1
1458 1 141 TRP HB3 1 156 PHE QD 0.000 . 5.000 2.365 2.365 2.365 . 0 0 "[ ]" 1
1459 1 141 TRP HB2 1 156 PHE QD 0.000 . 5.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
1460 1 120 PHE HE2 1 141 TRP HH2 0.000 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
1461 1 122 TYR QD 1 141 TRP HH2 0.000 . 3.500 1.860 1.860 1.860 . 0 0 "[ ]" 1
1462 1 122 TYR QE 1 141 TRP HH2 0.000 . 5.000 2.061 2.061 2.061 . 0 0 "[ ]" 1
1463 1 141 TRP HH2 1 148 TYR QE 0.000 . 5.000 1.933 1.933 1.933 . 0 0 "[ ]" 1
1464 1 122 TYR QD 1 141 TRP HZ2 0.000 . 5.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
1465 1 122 TYR QE 1 141 TRP HZ2 0.000 . 2.700 2.348 2.348 2.348 . 0 0 "[ ]" 1
1466 1 141 TRP HZ2 1 148 TYR QD 0.000 . 5.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
1467 1 141 TRP HZ2 1 148 TYR QE 0.000 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1
1468 1 122 TYR QD 1 141 TRP HZ3 0.000 . 5.000 3.439 3.439 3.439 . 0 0 "[ ]" 1
1469 1 141 TRP HZ3 1 148 TYR QD 0.000 . 5.000 3.020 3.020 3.020 . 0 0 "[ ]" 1
1470 1 141 TRP HZ3 1 148 TYR QE 0.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
1471 1 120 PHE HE1 1 142 CYS HA 0.000 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
1472 1 120 PHE HE2 1 142 CYS HA 0.000 . 5.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
1473 1 120 PHE HZ 1 142 CYS HA 0.000 . 3.500 2.641 2.641 2.641 . 0 0 "[ ]" 1
1474 1 130 CYS HA 1 142 CYS HA 0.000 . 5.000 2.941 2.941 2.941 . 0 0 "[ ]" 1
1475 1 143 GLY HA3 1 154 PHE HA 0.000 . 5.000 2.713 2.713 2.713 . 0 0 "[ ]" 1
1476 1 143 GLY HA2 1 154 PHE HA 0.000 . 5.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
1477 1 114 ALA MB 1 144 THR MG 0.000 . 3.500 1.695 1.695 1.695 . 0 0 "[ ]" 1
1478 1 144 THR MG 1 154 PHE HA 0.000 . 3.500 3.187 3.187 3.187 . 0 0 "[ ]" 1
1479 1 145 THR MG 1 151 ASP HB3 0.000 . 3.500 3.242 3.242 3.242 . 0 0 "[ ]" 1
1480 1 145 THR MG 1 153 LYS QB 0.000 . 3.500 3.398 3.398 3.398 . 0 0 "[ ]" 1
1481 1 145 THR MG 1 153 LYS HD3 0.000 . 3.500 3.501 3.501 3.501 0.001 1 0 "[ ]" 1
1482 1 145 THR MG 1 153 LYS HD2 0.000 . 5.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
1483 1 145 THR MG 1 153 LYS QE 0.000 . 5.000 4.644 4.644 4.644 . 0 0 "[ ]" 1
1484 1 117 HIS HD2 1 146 GLN HA 0.000 . 2.700 1.895 1.895 1.895 . 0 0 "[ ]" 1
1485 1 117 HIS HE1 1 146 GLN HA 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
1486 1 117 HIS HD2 1 146 GLN HB3 0.000 . 5.000 3.265 3.265 3.265 . 0 0 "[ ]" 1
1487 1 117 HIS HE1 1 146 GLN HB3 0.000 . 5.000 4.043 4.043 4.043 . 0 0 "[ ]" 1
1488 1 117 HIS HD2 1 146 GLN HB2 0.000 . 5.000 3.882 3.882 3.882 . 0 0 "[ ]" 1
1489 1 117 HIS HE1 1 146 GLN HB2 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
1490 1 117 HIS HD2 1 146 GLN HG3 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1491 1 122 TYR QD 1 148 TYR QE 0.000 . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 1
1492 1 122 TYR QE 1 148 TYR QE 0.000 . 3.500 2.049 2.049 2.049 . 0 0 "[ ]" 1
1493 1 148 TYR QE 1 154 PHE QD 0.000 . 2.700 2.474 2.474 2.474 . 0 0 "[ ]" 1
1494 1 148 TYR QE 1 154 PHE QE 0.000 . 5.000 4.610 4.610 4.610 . 0 0 "[ ]" 1
1495 1 141 TRP HE3 1 154 PHE HA 0.000 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
1496 1 148 TYR QE 1 154 PHE HA 0.000 . 5.000 3.834 3.834 3.834 . 0 0 "[ ]" 1
1497 1 148 TYR QE 1 154 PHE HB3 0.000 . 3.500 2.459 2.459 2.459 . 0 0 "[ ]" 1
1498 1 106 THR HB 1 155 GLY HA3 0.000 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
1499 1 141 TRP HA 1 156 PHE HA 0.000 . 2.700 2.647 2.647 2.647 . 0 0 "[ ]" 1
1500 1 11 VAL H 1 112 ASN HD21 0.000 . 5.000 3.238 3.238 3.238 . 0 0 "[ ]" 1
1501 1 11 VAL H 1 112 ASN HD22 0.000 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
1502 1 16 MET H 1 145 THR MG 0.000 . 5.000 4.719 4.719 4.719 . 0 0 "[ ]" 1
1503 1 17 GLN H 1 114 ALA MB 0.000 . 5.000 5.003 5.003 5.003 0.003 1 0 "[ ]" 1
1504 1 18 TRP H 1 115 LEU HB3 0.000 . 5.000 3.340 3.340 3.340 . 0 0 "[ ]" 1
1505 1 19 LEU H 1 114 ALA HA 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
1506 1 10 VAL MG1 1 112 ASN HD21 0.000 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
1507 1 10 VAL MG1 1 112 ASN HD22 0.000 . 5.000 4.589 4.589 4.589 . 0 0 "[ ]" 1
1508 1 10 VAL MG1 1 112 ASN H 0.000 . 5.000 5.000 5.000 5.000 . 0 0 "[ ]" 1
1509 1 12 TYR QD 1 114 ALA H 0.000 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
1510 1 12 TYR QE 1 114 ALA H 0.000 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
1511 1 16 MET ME 1 114 ALA H 0.000 . 5.000 5.004 5.004 5.004 0.004 1 0 "[ ]" 1
1512 1 18 TRP HA 1 115 LEU H 0.000 . 5.000 2.107 2.107 2.107 . 0 0 "[ ]" 1
1513 1 10 VAL MG2 1 112 ASN HB3 0.000 . 5.000 4.131 4.131 4.131 . 0 0 "[ ]" 1
1514 1 10 VAL MG1 1 112 ASN HA 0.000 . 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
1515 1 10 VAL MG1 1 112 ASN HB3 0.000 . 3.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
1516 1 10 VAL MG1 1 112 ASN HB2 0.000 . 3.500 2.289 2.289 2.289 . 0 0 "[ ]" 1
1517 1 16 MET ME 1 111 SER HB2 0.000 . 5.000 1.855 1.855 1.855 . 0 0 "[ ]" 1
1518 1 16 MET ME 1 111 SER HA 0.000 . 2.700 2.709 2.709 2.709 0.009 1 0 "[ ]" 1
1519 1 16 MET ME 1 153 LYS HA 0.000 . 5.000 4.382 4.382 4.382 . 0 0 "[ ]" 1
1520 1 16 MET ME 1 153 LYS QE 0.000 . 3.500 2.281 2.281 2.281 . 0 0 "[ ]" 1
1521 1 19 LEU HB3 1 105 GLN QG 0.000 . 5.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
1522 1 19 LEU MD2 1 105 GLN QG 0.000 . 3.500 2.339 2.339 2.339 . 0 0 "[ ]" 1
1523 1 28 LEU MD2 1 103 LEU MD2 0.000 . 3.500 2.129 2.129 2.129 . 0 0 "[ ]" 1
1524 1 28 LEU MD1 1 103 LEU HB3 0.000 . 3.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
1525 1 28 LEU MD1 1 103 LEU HB2 0.000 . 5.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
1526 1 28 LEU MD1 1 103 LEU MD2 0.000 . 2.700 1.872 1.872 1.872 . 0 0 "[ ]" 1
1527 1 28 LEU MD1 1 103 LEU HG 0.000 . 5.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
1528 1 12 TYR QE 1 112 ASN HA 0.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
1529 1 12 TYR QE 1 112 ASN HB3 0.000 . 5.000 4.755 4.755 4.755 . 0 0 "[ ]" 1
1530 1 12 TYR QE 1 112 ASN HB2 0.000 . 5.000 3.802 3.802 3.802 . 0 0 "[ ]" 1
1531 1 12 TYR QE 1 114 ALA HA 0.000 . 5.000 2.383 2.383 2.383 . 0 0 "[ ]" 1
1532 1 12 TYR QD 1 114 ALA MB 0.000 . 3.500 1.847 1.847 1.847 . 0 0 "[ ]" 1
1533 1 12 TYR QE 1 114 ALA MB 0.000 . 2.700 2.141 2.141 2.141 . 0 0 "[ ]" 1
1534 1 13 SER HB3 1 145 THR MG 0.000 . 5.000 4.654 4.654 4.654 . 0 0 "[ ]" 1
1535 1 13 SER HB2 1 145 THR MG 0.000 . 5.000 4.121 4.121 4.121 . 0 0 "[ ]" 1
1536 1 16 MET HG3 1 145 THR MG 0.000 . 5.000 2.728 2.728 2.728 . 0 0 "[ ]" 1
1537 1 16 MET ME 1 145 THR MG 0.000 . 2.700 2.716 2.716 2.716 0.016 1 0 "[ ]" 1
1538 1 16 MET ME 1 153 LYS HD3 0.000 . 3.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
1539 1 16 MET ME 1 153 LYS HD2 0.000 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
1540 1 16 MET ME 1 153 LYS QG 0.000 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 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 82
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 0.222
_Distance_constraint_stats_list.Viol_max 0.133
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0317
_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 3 HIS 0.000 0.000 . 0 "[ ]"
1 4 CYS 0.000 0.000 . 0 "[ ]"
1 5 VAL 0.011 0.009 1 0 "[ ]"
1 6 THR 0.000 0.000 . 0 "[ ]"
1 9 GLY 0.000 0.000 . 0 "[ ]"
1 10 VAL 0.000 0.000 . 0 "[ ]"
1 11 VAL 0.011 0.009 1 0 "[ ]"
1 12 TYR 0.026 0.026 1 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 16 MET 0.000 0.000 . 0 "[ ]"
1 17 GLN 0.000 0.000 . 0 "[ ]"
1 18 TRP 0.026 0.026 1 0 "[ ]"
1 19 LEU 0.000 0.000 . 0 "[ ]"
1 22 GLN 0.000 0.000 . 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 ASN 0.000 0.000 . 0 "[ ]"
1 28 LEU 0.000 0.000 . 0 "[ ]"
1 29 CYS 0.000 0.000 . 0 "[ ]"
1 30 THR 0.000 0.000 . 0 "[ ]"
1 31 CYS 0.000 0.000 . 0 "[ ]"
1 32 LEU 0.000 0.000 . 0 "[ ]"
1 33 GLY 0.000 0.000 . 0 "[ ]"
1 35 GLY 0.000 0.000 . 0 "[ ]"
1 37 SER 0.000 0.000 . 0 "[ ]"
1 38 CYS 0.000 0.000 . 0 "[ ]"
1 39 GLN 0.000 0.000 . 0 "[ ]"
1 40 GLU 0.000 0.000 . 0 "[ ]"
1 43 VAL 0.000 0.000 . 0 "[ ]"
1 44 THR 0.000 0.000 . 0 "[ ]"
1 45 GLN 0.000 0.000 . 0 "[ ]"
1 56 CYS 0.030 0.030 1 0 "[ ]"
1 57 VAL 0.030 0.030 1 0 "[ ]"
1 58 LEU 0.000 0.000 . 0 "[ ]"
1 68 TYR 0.000 0.000 . 0 "[ ]"
1 69 SER 0.000 0.000 . 0 "[ ]"
1 72 THR 0.000 0.000 . 0 "[ ]"
1 75 ARG 0.000 0.000 . 0 "[ ]"
1 76 GLN 0.000 0.000 . 0 "[ ]"
1 77 ASP 0.000 0.000 . 0 "[ ]"
1 80 LEU 0.000 0.000 . 0 "[ ]"
1 81 TRP 0.000 0.000 . 0 "[ ]"
1 85 THR 0.030 0.030 1 0 "[ ]"
1 86 SER 0.000 0.000 . 0 "[ ]"
1 87 ASN 0.000 0.000 . 0 "[ ]"
1 89 GLU 0.000 0.000 . 0 "[ ]"
1 90 GLN 0.000 0.000 . 0 "[ ]"
1 98 THR 0.000 0.000 . 0 "[ ]"
1 99 ASP 0.000 0.000 . 0 "[ ]"
1 100 HIS 0.000 0.000 . 0 "[ ]"
1 101 THR 0.000 0.000 . 0 "[ ]"
1 102 VAL 0.000 0.000 . 0 "[ ]"
1 103 LEU 0.000 0.000 . 0 "[ ]"
1 104 VAL 0.000 0.000 . 0 "[ ]"
1 105 GLN 0.000 0.000 . 0 "[ ]"
1 106 THR 0.000 0.000 . 0 "[ ]"
1 109 GLY 0.000 0.000 . 0 "[ ]"
1 115 LEU 0.000 0.000 . 0 "[ ]"
1 116 CYS 0.000 0.000 . 0 "[ ]"
1 117 HIS 0.000 0.000 . 0 "[ ]"
1 118 PHE 0.000 0.000 . 0 "[ ]"
1 120 PHE 0.000 0.000 . 0 "[ ]"
1 121 LEU 0.144 0.133 1 0 "[ ]"
1 126 ASN 0.144 0.133 1 0 "[ ]"
1 128 THR 0.000 0.000 . 0 "[ ]"
1 129 ASP 0.000 0.000 . 0 "[ ]"
1 130 CYS 0.000 0.000 . 0 "[ ]"
1 141 TRP 0.000 0.000 . 0 "[ ]"
1 142 CYS 0.000 0.000 . 0 "[ ]"
1 144 THR 0.000 0.000 . 0 "[ ]"
1 146 GLN 0.000 0.000 . 0 "[ ]"
1 147 ASN 0.144 0.133 1 0 "[ ]"
1 154 PHE 0.000 0.000 . 0 "[ ]"
1 158 PRO 0.011 0.011 1 0 "[ ]"
1 159 MET 0.011 0.011 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS H 1 6 THR HB 0.000 . 5.000 3.907 3.907 3.907 . 0 0 "[ ]" 2
2 1 5 VAL H 1 5 VAL QG 0.000 . 3.500 1.850 1.850 1.850 . 0 0 "[ ]" 2
3 1 5 VAL QG 1 6 THR H 0.000 . 3.500 2.519 2.519 2.519 . 0 0 "[ ]" 2
4 1 5 VAL QG 1 9 GLY H 0.000 . 5.000 3.053 3.053 3.053 . 0 0 "[ ]" 2
5 1 5 VAL QG 1 10 VAL H 0.000 . 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 2
6 1 5 VAL QG 1 11 VAL H 0.000 . 5.000 3.147 3.147 3.147 . 0 0 "[ ]" 2
7 1 5 VAL QG 1 12 TYR H 0.000 . 5.000 4.313 4.313 4.313 . 0 0 "[ ]" 2
8 1 12 TYR QD 1 13 SER H 0.000 . 5.000 4.288 4.288 4.288 . 0 0 "[ ]" 2
9 1 13 SER H 1 16 MET HB2 0.000 . 5.000 3.335 3.335 3.335 . 0 0 "[ ]" 2
10 1 16 MET HG2 1 17 GLN H 0.000 . 5.000 1.871 1.871 1.871 . 0 0 "[ ]" 2
11 1 16 MET HB2 1 17 GLN H 0.000 . 5.000 4.177 4.177 4.177 . 0 0 "[ ]" 2
12 1 18 TRP H 1 115 LEU QD 0.000 . 5.000 2.909 2.909 2.909 . 0 0 "[ ]" 2
13 1 19 LEU H 1 115 LEU QD 0.000 . 5.000 3.258 3.258 3.258 . 0 0 "[ ]" 2
14 1 22 GLN H 1 23 GLY H 0.000 . 5.000 2.913 2.913 2.913 . 0 0 "[ ]" 2
15 1 19 LEU QD 1 29 CYS H 0.000 . 5.000 3.836 3.836 3.836 . 0 0 "[ ]" 2
16 1 16 MET HG2 1 31 CYS H 0.000 . 5.000 4.760 4.760 4.760 . 0 0 "[ ]" 2
17 1 32 LEU H 1 32 LEU QD 0.000 . 5.000 2.941 2.941 2.941 . 0 0 "[ ]" 2
18 1 32 LEU QD 1 33 GLY H 0.000 . 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 2
19 1 32 LEU QD 1 35 GLY H 0.000 . 5.000 4.091 4.091 4.091 . 0 0 "[ ]" 2
20 1 32 LEU QD 1 37 SER H 0.000 . 5.000 2.606 2.606 2.606 . 0 0 "[ ]" 2
21 1 43 VAL H 1 43 VAL QG 0.000 . 2.700 1.919 1.919 1.919 . 0 0 "[ ]" 2
22 1 43 VAL QG 1 44 THR H 0.000 . 5.000 2.558 2.558 2.558 . 0 0 "[ ]" 2
23 1 43 VAL QG 1 45 GLN H 0.000 . 5.000 4.637 4.637 4.637 . 0 0 "[ ]" 2
24 1 76 GLN HB3 1 77 ASP H 0.000 . 5.000 4.273 4.273 4.273 . 0 0 "[ ]" 2
25 1 75 ARG HB2 1 77 ASP H 0.000 . 5.000 3.674 3.674 3.674 . 0 0 "[ ]" 2
26 1 85 THR HB 1 86 SER H 0.000 . 2.700 2.550 2.550 2.550 . 0 0 "[ ]" 2
27 1 85 THR HB 1 87 ASN H 0.000 . 3.500 2.803 2.803 2.803 . 0 0 "[ ]" 2
28 1 89 GLU HB3 1 90 GLN H 0.000 . 5.000 3.706 3.706 3.706 . 0 0 "[ ]" 2
29 1 98 THR H 1 99 ASP H 0.000 . 5.000 2.948 2.948 2.948 . 0 0 "[ ]" 2
30 1 101 THR H 1 102 VAL QG 0.000 . 5.000 4.051 4.051 4.051 . 0 0 "[ ]" 2
31 1 102 VAL H 1 102 VAL QG 0.000 . 3.500 1.867 1.867 1.867 . 0 0 "[ ]" 2
32 1 101 THR HB 1 103 LEU H 0.000 . 2.700 2.265 2.265 2.265 . 0 0 "[ ]" 2
33 1 102 VAL QG 1 103 LEU H 0.000 . 5.000 2.169 2.169 2.169 . 0 0 "[ ]" 2
34 1 104 VAL H 1 115 LEU QD 0.000 . 5.000 2.093 2.093 2.093 . 0 0 "[ ]" 2
35 1 105 GLN H 1 115 LEU QD 0.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 2
36 1 106 THR H 1 115 LEU QD 0.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 2
37 1 19 LEU MD1 1 115 LEU H 0.000 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 2
38 1 115 LEU QD 1 116 CYS H 0.000 . 5.000 3.529 3.529 3.529 . 0 0 "[ ]" 2
39 1 117 HIS H 1 144 THR HA 0.000 . 5.000 2.366 2.366 2.366 . 0 0 "[ ]" 2
40 1 118 PHE QE 1 129 ASP H 0.000 . 5.000 1.872 1.872 1.872 . 0 0 "[ ]" 2
41 1 118 PHE QE 1 130 CYS H 0.000 . 5.000 3.031 3.031 3.031 . 0 0 "[ ]" 2
42 1 158 PRO HB2 1 159 MET H 0.000 . 2.700 2.711 2.711 2.711 0.011 1 0 "[ ]" 2
43 1 12 TYR QD 1 18 TRP HE1 0.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 2
44 1 3 HIS HD2 1 5 VAL QG 0.000 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 2
45 1 4 CYS HB2 1 5 VAL QG 0.000 . 5.000 4.875 4.875 4.875 . 0 0 "[ ]" 2
46 1 6 THR MG 1 12 TYR QD 0.000 . 3.500 2.361 2.361 2.361 . 0 0 "[ ]" 2
47 1 10 VAL HB 1 12 TYR QD 0.000 . 5.000 3.968 3.968 3.968 . 0 0 "[ ]" 2
48 1 10 VAL MG1 1 12 TYR QD 0.000 . 5.000 3.674 3.674 3.674 . 0 0 "[ ]" 2
49 1 5 VAL QG 1 11 VAL MG1 0.000 . 2.700 2.709 2.709 2.709 0.009 1 0 "[ ]" 2
50 1 5 VAL QG 1 11 VAL MG2 0.000 . 2.700 2.702 2.702 2.702 0.002 1 0 "[ ]" 2
51 1 12 TYR HA 1 12 TYR QD 0.000 . 2.700 2.726 2.726 2.726 0.026 1 0 "[ ]" 2
52 1 12 TYR HB3 1 12 TYR QD 0.000 . 3.500 2.385 2.385 2.385 . 0 0 "[ ]" 2
53 1 12 TYR QD 1 16 MET HB2 0.000 . 3.500 3.191 3.191 3.191 . 0 0 "[ ]" 2
54 1 12 TYR QD 1 16 MET HG2 0.000 . 5.000 3.342 3.342 3.342 . 0 0 "[ ]" 2
55 1 12 TYR QD 1 17 GLN HA 0.000 . 5.000 3.090 3.090 3.090 . 0 0 "[ ]" 2
56 1 17 GLN HA 1 28 LEU MD1 0.000 . 5.000 4.567 4.567 4.567 . 0 0 "[ ]" 2
57 1 30 THR HB 1 32 LEU QD 0.000 . 2.700 2.700 2.700 2.700 . 0 0 "[ ]" 2
58 1 39 GLN HA 1 39 GLN HB3 0.000 . 2.700 2.581 2.581 2.581 . 0 0 "[ ]" 2
59 1 39 GLN HA 1 39 GLN HB2 0.000 . 2.700 2.454 2.454 2.454 . 0 0 "[ ]" 2
60 1 56 CYS HA 1 57 VAL MG2 0.000 . 2.700 2.730 2.730 2.730 0.030 1 0 "[ ]" 2
61 1 58 LEU MD1 1 68 TYR HA 0.000 . 2.700 2.567 2.567 2.567 . 0 0 "[ ]" 2
62 1 58 LEU MD2 1 68 TYR HA 0.000 . 2.700 1.777 1.777 1.777 . 0 0 "[ ]" 2
63 1 72 THR MG 1 81 TRP HD1 0.000 . 5.000 1.870 1.870 1.870 . 0 0 "[ ]" 2
64 1 80 LEU MD1 1 101 THR HA 0.000 . 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 2
65 1 80 LEU MD1 1 101 THR HB 0.000 . 5.000 4.473 4.473 4.473 . 0 0 "[ ]" 2
66 1 80 LEU MD1 1 101 THR MG 0.000 . 2.700 1.948 1.948 1.948 . 0 0 "[ ]" 2
67 1 109 GLY HA2 1 154 PHE QD 0.000 . 5.000 2.553 2.553 2.553 . 0 0 "[ ]" 2
68 1 109 GLY HA2 1 154 PHE QE 0.000 . 5.000 2.685 2.685 2.685 . 0 0 "[ ]" 2
69 1 103 LEU HA 1 115 LEU QD 0.000 . 2.700 2.331 2.331 2.331 . 0 0 "[ ]" 2
70 1 103 LEU HB3 1 115 LEU QD 0.000 . 5.000 1.893 1.893 1.893 . 0 0 "[ ]" 2
71 1 103 LEU HB2 1 115 LEU QD 0.000 . 3.500 2.806 2.806 2.806 . 0 0 "[ ]" 2
72 1 103 LEU MD2 1 115 LEU QD 0.000 . 2.700 2.505 2.505 2.505 . 0 0 "[ ]" 2
73 1 105 GLN HA 1 115 LEU QD 0.000 . 2.700 2.635 2.635 2.635 . 0 0 "[ ]" 2
74 1 105 GLN QG 1 115 LEU QD 0.000 . 2.700 2.616 2.616 2.616 . 0 0 "[ ]" 2
75 1 117 HIS HB2 1 117 HIS HE1 0.000 . 5.000 4.606 4.606 4.606 . 0 0 "[ ]" 2
76 1 118 PHE QE 1 120 PHE HB2 0.000 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 2
77 1 121 LEU HB3 1 126 ASN HA 0.000 . 3.500 1.831 1.831 1.831 . 0 0 "[ ]" 2
78 1 121 LEU HB2 1 126 ASN HA 0.000 . 2.700 2.833 2.833 2.833 0.133 1 0 "[ ]" 2
79 1 121 LEU MD1 1 126 ASN HA 0.000 . 2.700 2.711 2.711 2.711 0.011 1 0 "[ ]" 2
80 1 121 LEU MD2 1 126 ASN HA 0.000 . 2.700 1.835 1.835 1.835 . 0 0 "[ ]" 2
81 1 121 LEU HG 1 126 ASN HA 0.000 . 5.000 3.758 3.758 3.758 . 0 0 "[ ]" 2
82 1 120 PHE HD1 1 128 THR HA 0.000 . 5.000 3.291 3.291 3.291 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 2.930
_Distance_constraint_stats_list.Viol_max 1.509
_Distance_constraint_stats_list.Viol_rms 0.1844
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0271
_Distance_constraint_stats_list.Viol_average_violations_only 0.1046
_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 4 CYS 0.008 0.008 1 0 "[ ]"
1 6 THR 0.000 0.000 . 0 "[ ]"
1 10 VAL 0.000 0.000 . 0 "[ ]"
1 12 TYR 0.008 0.008 1 0 "[ ]"
1 16 MET 0.016 0.016 1 0 "[ ]"
1 17 GLN 0.048 0.048 1 0 "[ ]"
1 18 TRP 0.001 0.001 1 0 "[ ]"
1 20 LYS 0.001 0.001 1 0 "[ ]"
1 27 MET 0.001 0.001 1 0 "[ ]"
1 28 LEU 0.000 0.000 . 0 "[ ]"
1 29 CYS 0.001 0.001 1 0 "[ ]"
1 30 THR 0.001 0.001 1 0 "[ ]"
1 31 CYS 0.016 0.016 1 0 "[ ]"
1 37 SER 0.001 0.001 1 0 "[ ]"
1 39 GLN 0.000 0.000 . 0 "[ ]"
1 47 TYR 0.003 0.003 1 0 "[ ]"
1 57 VAL 0.000 0.000 . 0 "[ ]"
1 60 PHE 0.000 0.000 1 0 "[ ]"
1 62 TYR 0.059 0.045 1 0 "[ ]"
1 65 ARG 0.059 0.045 1 0 "[ ]"
1 67 PHE 0.000 0.000 1 0 "[ ]"
1 71 THR 0.001 0.001 1 0 "[ ]"
1 75 ARG 2.699 1.509 1 1 [+]
1 77 ASP 2.699 1.509 1 1 [+]
1 80 LEU 0.000 0.000 . 0 "[ ]"
1 81 TRP 0.001 0.001 1 0 "[ ]"
1 82 CYS 0.000 0.000 . 0 "[ ]"
1 83 SER 0.000 0.000 . 0 "[ ]"
1 84 THR 0.000 0.000 . 0 "[ ]"
1 88 TYR 0.000 0.000 . 0 "[ ]"
1 92 GLN 0.000 0.000 . 0 "[ ]"
1 93 LYS 0.000 0.000 . 0 "[ ]"
1 95 SER 0.000 0.000 . 0 "[ ]"
1 96 PHE 0.003 0.003 1 0 "[ ]"
1 97 CYS 0.000 0.000 . 0 "[ ]"
1 104 VAL 0.028 0.028 1 0 "[ ]"
1 106 THR 0.003 0.003 1 0 "[ ]"
1 107 ARG 0.003 0.003 1 0 "[ ]"
1 114 ALA 0.003 0.003 1 0 "[ ]"
1 115 LEU 0.048 0.048 1 0 "[ ]"
1 116 CYS 0.028 0.028 1 0 "[ ]"
1 117 HIS 0.007 0.007 1 0 "[ ]"
1 120 PHE 0.004 0.004 1 0 "[ ]"
1 121 LEU 0.007 0.007 1 0 "[ ]"
1 122 TYR 0.033 0.033 1 0 "[ ]"
1 125 HIS 0.033 0.033 1 0 "[ ]"
1 127 TYR 0.004 0.004 1 0 "[ ]"
1 131 THR 0.005 0.004 1 0 "[ ]"
1 135 ARG 0.001 0.001 1 0 "[ ]"
1 137 ASP 0.001 0.001 1 0 "[ ]"
1 140 LYS 0.000 0.000 . 0 "[ ]"
1 141 TRP 0.005 0.004 1 0 "[ ]"
1 142 CYS 0.001 0.001 1 0 "[ ]"
1 143 GLY 0.007 0.007 1 0 "[ ]"
1 144 THR 0.001 0.001 1 0 "[ ]"
1 146 GLN 0.000 0.000 . 0 "[ ]"
1 147 ASN 0.002 0.002 1 0 "[ ]"
1 148 TYR 0.007 0.007 1 0 "[ ]"
1 150 ALA 0.000 0.000 . 0 "[ ]"
1 151 ASP 0.002 0.002 1 0 "[ ]"
1 152 GLN 0.000 0.000 . 0 "[ ]"
1 153 LYS 0.001 0.001 1 0 "[ ]"
1 155 GLY 0.001 0.001 1 0 "[ ]"
1 156 PHE 0.003 0.003 1 0 "[ ]"
1 157 CYS 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS O 1 12 TYR N 0.000 . 3.300 2.802 2.802 2.802 . 0 0 "[ ]" 3
2 1 4 CYS O 1 12 TYR H 0.000 . 2.300 1.883 1.883 1.883 . 0 0 "[ ]" 3
3 1 6 THR O 1 10 VAL N 0.000 . 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 3
4 1 6 THR O 1 10 VAL H 0.000 . 2.300 2.144 2.144 2.144 . 0 0 "[ ]" 3
5 1 6 THR N 1 10 VAL O 0.000 . 3.300 3.043 3.043 3.043 . 0 0 "[ ]" 3
6 1 6 THR H 1 10 VAL O 0.000 . 2.300 2.148 2.148 2.148 . 0 0 "[ ]" 3
7 1 4 CYS N 1 12 TYR O 0.000 . 3.300 3.181 3.181 3.181 . 0 0 "[ ]" 3
8 1 4 CYS H 1 12 TYR O 0.000 . 2.300 2.308 2.308 2.308 0.008 1 0 "[ ]" 3
9 1 16 MET O 1 31 CYS N 0.000 . 3.300 2.739 2.739 2.739 . 0 0 "[ ]" 3
10 1 16 MET O 1 31 CYS H 0.000 . 2.300 1.843 1.843 1.843 . 0 0 "[ ]" 3
11 1 18 TRP O 1 29 CYS N 0.000 . 3.300 3.191 3.191 3.191 . 0 0 "[ ]" 3
12 1 18 TRP O 1 29 CYS H 0.000 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 3
13 1 20 LYS O 1 27 MET N 0.000 . 3.300 3.061 3.061 3.061 . 0 0 "[ ]" 3
14 1 20 LYS O 1 27 MET H 0.000 . 2.300 2.300 2.300 2.300 0.000 1 0 "[ ]" 3
15 1 20 LYS N 1 27 MET O 0.000 . 3.300 3.139 3.139 3.139 . 0 0 "[ ]" 3
16 1 20 LYS H 1 27 MET O 0.000 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 3
17 1 28 LEU O 1 39 GLN N 0.000 . 3.300 2.752 2.752 2.752 . 0 0 "[ ]" 3
18 1 28 LEU O 1 39 GLN H 0.000 . 2.300 2.008 2.008 2.008 . 0 0 "[ ]" 3
19 1 18 TRP N 1 29 CYS O 0.000 . 3.300 2.839 2.839 2.839 . 0 0 "[ ]" 3
20 1 18 TRP H 1 29 CYS O 0.000 . 2.300 2.234 2.234 2.234 . 0 0 "[ ]" 3
21 1 16 MET N 1 31 CYS O 0.000 . 3.300 3.242 3.242 3.242 . 0 0 "[ ]" 3
22 1 16 MET H 1 31 CYS O 0.000 . 2.300 2.316 2.316 2.316 0.016 1 0 "[ ]" 3
23 1 30 THR O 1 37 SER N 0.000 . 3.300 2.527 2.527 2.527 . 0 0 "[ ]" 3
24 1 30 THR O 1 37 SER H 0.000 . 2.300 1.582 1.582 1.582 . 0 0 "[ ]" 3
25 1 30 THR N 1 37 SER O 0.000 . 3.300 3.228 3.228 3.228 . 0 0 "[ ]" 3
26 1 30 THR H 1 37 SER O 0.000 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 3
27 1 28 LEU N 1 39 GLN O 0.000 . 3.300 3.190 3.190 3.190 . 0 0 "[ ]" 3
28 1 28 LEU H 1 39 GLN O 0.000 . 2.300 2.245 2.245 2.245 . 0 0 "[ ]" 3
29 1 60 PHE O 1 67 PHE N 0.000 . 3.300 3.149 3.149 3.149 . 0 0 "[ ]" 3
30 1 60 PHE O 1 67 PHE H 0.000 . 2.300 2.300 2.300 2.300 0.000 1 0 "[ ]" 3
31 1 62 TYR O 1 65 ARG N 0.000 . 3.300 3.313 3.313 3.313 0.013 1 0 "[ ]" 3
32 1 62 TYR O 1 65 ARG H 0.000 . 2.300 2.345 2.345 2.345 0.045 1 0 "[ ]" 3
33 1 62 TYR N 1 65 ARG O 0.000 . 3.300 2.752 2.752 2.752 . 0 0 "[ ]" 3
34 1 62 TYR H 1 65 ARG O 0.000 . 2.300 1.836 1.836 1.836 . 0 0 "[ ]" 3
35 1 60 PHE N 1 67 PHE O 0.000 . 3.300 2.806 2.806 2.806 . 0 0 "[ ]" 3
36 1 60 PHE H 1 67 PHE O 0.000 . 2.300 1.837 1.837 1.837 . 0 0 "[ ]" 3
37 1 88 TYR O 1 92 GLN N 0.000 . 3.300 2.419 2.419 2.419 . 0 0 "[ ]" 3
38 1 88 TYR O 1 92 GLN H 0.000 . 2.300 1.701 1.701 1.701 . 0 0 "[ ]" 3
39 1 80 LEU O 1 97 CYS N 0.000 . 3.300 3.031 3.031 3.031 . 0 0 "[ ]" 3
40 1 80 LEU O 1 97 CYS H 0.000 . 2.300 2.134 2.134 2.134 . 0 0 "[ ]" 3
41 1 82 CYS O 1 95 SER N 0.000 . 3.300 2.763 2.763 2.763 . 0 0 "[ ]" 3
42 1 82 CYS O 1 95 SER H 0.000 . 2.300 2.149 2.149 2.149 . 0 0 "[ ]" 3
43 1 84 THR N 1 93 LYS O 0.000 . 3.300 3.236 3.236 3.236 . 0 0 "[ ]" 3
44 1 84 THR H 1 93 LYS O 0.000 . 2.300 2.300 2.300 2.300 . 0 0 "[ ]" 3
45 1 82 CYS N 1 95 SER O 0.000 . 3.300 2.663 2.663 2.663 . 0 0 "[ ]" 3
46 1 82 CYS H 1 95 SER O 0.000 . 2.300 1.784 1.784 1.784 . 0 0 "[ ]" 3
47 1 71 THR O 1 81 TRP N 0.000 . 3.300 3.062 3.062 3.062 . 0 0 "[ ]" 3
48 1 71 THR O 1 81 TRP H 0.000 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 3
49 1 71 THR N 1 81 TRP O 0.000 . 3.300 2.937 2.937 2.937 . 0 0 "[ ]" 3
50 1 71 THR H 1 81 TRP O 0.000 . 2.300 2.007 2.007 2.007 . 0 0 "[ ]" 3
51 1 57 VAL N 1 83 SER O 0.000 . 3.300 2.455 2.455 2.455 . 0 0 "[ ]" 3
52 1 57 VAL H 1 83 SER O 0.000 . 2.300 1.676 1.676 1.676 . 0 0 "[ ]" 3
53 1 47 TYR O 1 96 PHE N 0.000 . 3.300 2.968 2.968 2.968 . 0 0 "[ ]" 3
54 1 47 TYR O 1 96 PHE H 0.000 . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 3
55 1 75 ARG NE 1 77 ASP OD1 0.000 . 3.300 2.876 2.876 2.876 . 0 0 "[ ]" 3
56 1 75 ARG HE 1 77 ASP OD1 0.000 . 2.300 2.062 2.062 2.062 . 0 0 "[ ]" 3
57 1 75 ARG NH2 1 77 ASP OD2 0.000 . 3.300 4.490 4.490 4.490 1.190 1 1 [+] 3
58 1 75 ARG QH2 1 77 ASP OD2 0.000 . 2.300 3.809 3.809 3.809 1.509 1 1 [+] 3
59 1 104 VAL O 1 116 CYS N 0.000 . 3.300 2.425 2.425 2.425 . 0 0 "[ ]" 3
60 1 104 VAL O 1 116 CYS H 0.000 . 2.300 2.202 2.202 2.202 . 0 0 "[ ]" 3
61 1 106 THR O 1 114 ALA N 0.000 . 3.300 2.745 2.745 2.745 . 0 0 "[ ]" 3
62 1 106 THR O 1 114 ALA H 0.000 . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 3
63 1 106 THR N 1 114 ALA O 0.000 . 3.300 2.865 2.865 2.865 . 0 0 "[ ]" 3
64 1 106 THR H 1 114 ALA O 0.000 . 2.300 2.174 2.174 2.174 . 0 0 "[ ]" 3
65 1 104 VAL N 1 116 CYS O 0.000 . 3.300 3.162 3.162 3.162 . 0 0 "[ ]" 3
66 1 104 VAL H 1 116 CYS O 0.000 . 2.300 2.328 2.328 2.328 0.028 1 0 "[ ]" 3
67 1 120 PHE O 1 127 TYR N 0.000 . 3.300 2.884 2.884 2.884 . 0 0 "[ ]" 3
68 1 120 PHE O 1 127 TYR H 0.000 . 2.300 2.304 2.304 2.304 0.004 1 0 "[ ]" 3
69 1 122 TYR O 1 125 HIS N 0.000 . 3.300 2.790 2.790 2.790 . 0 0 "[ ]" 3
70 1 122 TYR O 1 125 HIS H 0.000 . 2.300 2.053 2.053 2.053 . 0 0 "[ ]" 3
71 1 122 TYR N 1 125 HIS O 0.000 . 3.300 3.273 3.273 3.273 . 0 0 "[ ]" 3
72 1 122 TYR H 1 125 HIS O 0.000 . 2.300 2.333 2.333 2.333 0.033 1 0 "[ ]" 3
73 1 120 PHE N 1 127 TYR O 0.000 . 3.300 2.677 2.677 2.677 . 0 0 "[ ]" 3
74 1 120 PHE H 1 127 TYR O 0.000 . 2.300 1.749 1.749 1.749 . 0 0 "[ ]" 3
75 1 147 ASN O 1 150 ALA N 0.000 . 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 3
76 1 147 ASN O 1 150 ALA H 0.000 . 2.300 2.032 2.032 2.032 . 0 0 "[ ]" 3
77 1 147 ASN O 1 151 ASP N 0.000 . 3.300 2.972 2.972 2.972 . 0 0 "[ ]" 3
78 1 147 ASN O 1 151 ASP H 0.000 . 2.300 2.302 2.302 2.302 0.002 1 0 "[ ]" 3
79 1 148 TYR O 1 152 GLN N 0.000 . 3.300 2.440 2.440 2.440 . 0 0 "[ ]" 3
80 1 148 TYR O 1 152 GLN H 0.000 . 2.300 1.581 1.581 1.581 . 0 0 "[ ]" 3
81 1 140 LYS O 1 157 CYS N 0.000 . 3.300 2.988 2.988 2.988 . 0 0 "[ ]" 3
82 1 140 LYS O 1 157 CYS H 0.000 . 2.300 2.016 2.016 2.016 . 0 0 "[ ]" 3
83 1 142 CYS O 1 155 GLY N 0.000 . 3.300 3.199 3.199 3.199 . 0 0 "[ ]" 3
84 1 142 CYS O 1 155 GLY H 0.000 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 3
85 1 144 THR N 1 153 LYS O 0.000 . 3.300 3.275 3.275 3.275 . 0 0 "[ ]" 3
86 1 144 THR H 1 153 LYS O 0.000 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 3
87 1 142 CYS N 1 155 GLY O 0.000 . 3.300 3.150 3.150 3.150 . 0 0 "[ ]" 3
88 1 142 CYS H 1 155 GLY O 0.000 . 2.300 2.209 2.209 2.209 . 0 0 "[ ]" 3
89 1 131 THR O 1 141 TRP N 0.000 . 3.300 3.187 3.187 3.187 . 0 0 "[ ]" 3
90 1 131 THR O 1 141 TRP H 0.000 . 2.300 2.304 2.304 2.304 0.004 1 0 "[ ]" 3
91 1 131 THR N 1 141 TRP O 0.000 . 3.300 2.480 2.480 2.480 . 0 0 "[ ]" 3
92 1 131 THR H 1 141 TRP O 0.000 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 3
93 1 117 HIS N 1 143 GLY O 0.000 . 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 3
94 1 117 HIS H 1 143 GLY O 0.000 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 3
95 1 121 LEU N 1 146 GLN O 0.000 . 3.300 2.565 2.565 2.565 . 0 0 "[ ]" 3
96 1 121 LEU H 1 146 GLN O 0.000 . 2.300 1.630 1.630 1.630 . 0 0 "[ ]" 3
97 1 121 LEU O 1 148 TYR N 0.000 . 3.300 2.854 2.854 2.854 . 0 0 "[ ]" 3
98 1 121 LEU O 1 148 TYR H 0.000 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 3
99 1 107 ARG O 1 156 PHE N 0.000 . 3.300 3.099 3.099 3.099 . 0 0 "[ ]" 3
100 1 107 ARG O 1 156 PHE H 0.000 . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 3
101 1 107 ARG N 1 156 PHE O 0.000 . 3.300 2.755 2.755 2.755 . 0 0 "[ ]" 3
102 1 107 ARG H 1 156 PHE O 0.000 . 2.300 1.904 1.904 1.904 . 0 0 "[ ]" 3
103 1 135 ARG NE 1 137 ASP OD1 0.000 . 3.300 2.943 2.943 2.943 . 0 0 "[ ]" 3
104 1 135 ARG HE 1 137 ASP OD1 0.000 . 2.300 2.300 2.300 2.300 0.000 1 0 "[ ]" 3
105 1 135 ARG NH2 1 137 ASP OD2 0.000 . 3.300 2.997 2.997 2.997 . 0 0 "[ ]" 3
106 1 135 ARG HH21 1 137 ASP OD2 0.000 . 2.300 2.301 2.301 2.301 0.001 1 0 "[ ]" 3
107 1 17 GLN O 1 115 LEU N 0.000 . 3.300 3.059 3.059 3.059 . 0 0 "[ ]" 3
108 1 17 GLN O 1 115 LEU H 0.000 . 2.300 2.348 2.348 2.348 0.048 1 0 "[ ]" 3
stop_
save_
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