NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408447 |
1ywu   |
6514 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ywu
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 824
_Distance_constraint_stats_list.Viol_count 1063
_Distance_constraint_stats_list.Viol_total 145.246
_Distance_constraint_stats_list.Viol_max 0.078
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0068
_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 36 ILE 0.150 0.021 2 0 "[ . 1 . 2]"
1 37 ALA 0.067 0.014 20 0 "[ . 1 . 2]"
1 38 PHE 0.225 0.021 2 0 "[ . 1 . 2]"
1 40 ALA 0.123 0.019 2 0 "[ . 1 . 2]"
1 41 ASP 0.073 0.011 1 0 "[ . 1 . 2]"
1 42 SER 0.096 0.016 19 0 "[ . 1 . 2]"
1 43 GLU 0.128 0.012 6 0 "[ . 1 . 2]"
1 44 ILE 0.078 0.007 16 0 "[ . 1 . 2]"
1 45 LEU 0.234 0.016 10 0 "[ . 1 . 2]"
1 46 GLN 0.015 0.006 20 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 0.095 0.013 16 0 "[ . 1 . 2]"
1 50 ARG 0.021 0.006 4 0 "[ . 1 . 2]"
1 51 TRP 0.077 0.016 10 0 "[ . 1 . 2]"
1 52 GLU 0.071 0.015 19 0 "[ . 1 . 2]"
1 53 VAL 0.007 0.003 20 0 "[ . 1 . 2]"
1 54 LEU 0.114 0.012 20 0 "[ . 1 . 2]"
1 55 LEU 0.031 0.009 6 0 "[ . 1 . 2]"
1 56 HIS 0.234 0.014 20 0 "[ . 1 . 2]"
1 57 ASP 0.059 0.012 7 0 "[ . 1 . 2]"
1 58 VAL 0.052 0.011 14 0 "[ . 1 . 2]"
1 59 SER 0.132 0.015 11 0 "[ . 1 . 2]"
1 60 LEU 0.270 0.022 13 0 "[ . 1 . 2]"
1 61 HIS 0.931 0.037 1 0 "[ . 1 . 2]"
1 62 GLY 0.334 0.028 17 0 "[ . 1 . 2]"
1 63 ILE 0.134 0.011 5 0 "[ . 1 . 2]"
1 64 LEU 0.030 0.008 12 0 "[ . 1 . 2]"
1 65 VAL 0.085 0.011 2 0 "[ . 1 . 2]"
1 66 GLY 0.040 0.008 6 0 "[ . 1 . 2]"
1 67 GLN 0.050 0.010 18 0 "[ . 1 . 2]"
1 68 PRO 0.084 0.015 1 0 "[ . 1 . 2]"
1 71 TRP 0.082 0.023 18 0 "[ . 1 . 2]"
1 72 ASN 0.081 0.015 9 0 "[ . 1 . 2]"
1 73 GLY 0.166 0.028 1 0 "[ . 1 . 2]"
1 74 ASP 0.248 0.018 8 0 "[ . 1 . 2]"
1 75 PRO 0.159 0.018 17 0 "[ . 1 . 2]"
1 76 GLN 0.281 0.038 4 0 "[ . 1 . 2]"
1 77 ARG 0.554 0.038 4 0 "[ . 1 . 2]"
1 78 PRO 0.101 0.015 7 0 "[ . 1 . 2]"
1 79 PHE 0.418 0.032 11 0 "[ . 1 . 2]"
1 80 GLU 0.135 0.011 5 0 "[ . 1 . 2]"
1 81 ALA 0.039 0.005 17 0 "[ . 1 . 2]"
1 82 ARG 0.072 0.012 6 0 "[ . 1 . 2]"
1 83 LEU 0.016 0.008 18 0 "[ . 1 . 2]"
1 84 TYR 0.084 0.011 1 0 "[ . 1 . 2]"
1 85 LEU 0.107 0.009 10 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.053 0.006 20 0 "[ . 1 . 2]"
1 90 LEU 0.014 0.007 4 0 "[ . 1 . 2]"
1 91 ILE 0.137 0.017 6 0 "[ . 1 . 2]"
1 92 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 MET 0.083 0.013 20 0 "[ . 1 . 2]"
1 94 GLU 0.191 0.019 8 0 "[ . 1 . 2]"
1 95 ILE 0.103 0.008 8 0 "[ . 1 . 2]"
1 96 SER 0.205 0.016 6 0 "[ . 1 . 2]"
1 97 LEU 0.560 0.032 11 0 "[ . 1 . 2]"
1 98 ALA 0.010 0.010 12 0 "[ . 1 . 2]"
1 99 TRP 0.677 0.078 18 0 "[ . 1 . 2]"
1 100 ALA 0.596 0.078 18 0 "[ . 1 . 2]"
1 101 ARG 0.157 0.027 11 0 "[ . 1 . 2]"
1 102 ASP 0.012 0.007 7 0 "[ . 1 . 2]"
1 103 GLY 0.037 0.010 18 0 "[ . 1 . 2]"
1 104 LEU 0.044 0.008 12 0 "[ . 1 . 2]"
1 105 LEU 0.190 0.015 1 0 "[ . 1 . 2]"
1 106 GLY 0.013 0.005 20 0 "[ . 1 . 2]"
1 107 PHE 0.104 0.008 15 0 "[ . 1 . 2]"
1 108 GLU 0.057 0.021 18 0 "[ . 1 . 2]"
1 109 CYS 0.202 0.015 17 0 "[ . 1 . 2]"
1 110 GLN 0.124 0.016 6 0 "[ . 1 . 2]"
1 111 HIS 0.148 0.019 8 0 "[ . 1 . 2]"
1 112 ILE 0.056 0.010 17 0 "[ . 1 . 2]"
1 113 ASP 0.019 0.013 20 0 "[ . 1 . 2]"
1 114 LEU 0.080 0.015 20 0 "[ . 1 . 2]"
1 115 ASP 0.049 0.012 3 0 "[ . 1 . 2]"
1 116 SER 0.145 0.017 6 0 "[ . 1 . 2]"
1 117 ILE 0.050 0.019 17 0 "[ . 1 . 2]"
1 118 SER 0.102 0.012 3 0 "[ . 1 . 2]"
1 119 HIS 0.013 0.006 19 0 "[ . 1 . 2]"
1 120 LEU 0.019 0.005 14 0 "[ . 1 . 2]"
1 121 ARG 0.057 0.019 17 0 "[ . 1 . 2]"
1 122 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 LEU 0.069 0.009 15 0 "[ . 1 . 2]"
1 124 VAL 0.052 0.011 18 0 "[ . 1 . 2]"
1 125 GLU 0.023 0.010 13 0 "[ . 1 . 2]"
1 126 LEU 0.019 0.008 1 0 "[ . 1 . 2]"
1 127 ASN 0.076 0.023 14 0 "[ . 1 . 2]"
1 128 LEU 0.096 0.017 2 0 "[ . 1 . 2]"
1 129 GLY 0.043 0.023 14 0 "[ . 1 . 2]"
1 130 ASP 0.094 0.017 2 0 "[ . 1 . 2]"
1 131 GLU 0.036 0.009 17 0 "[ . 1 . 2]"
1 132 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 LEU 0.071 0.015 15 0 "[ . 1 . 2]"
1 134 LEU 0.048 0.009 2 0 "[ . 1 . 2]"
1 135 GLU 0.139 0.016 13 0 "[ . 1 . 2]"
1 136 ARG 0.695 0.041 1 0 "[ . 1 . 2]"
1 137 GLU 0.360 0.030 6 0 "[ . 1 . 2]"
1 138 LEU 0.318 0.021 8 0 "[ . 1 . 2]"
1 139 ALA 0.080 0.010 19 0 "[ . 1 . 2]"
1 140 LEU 0.346 0.019 7 0 "[ . 1 . 2]"
1 141 LEU 0.589 0.041 1 0 "[ . 1 . 2]"
1 142 VAL 0.164 0.035 11 0 "[ . 1 . 2]"
1 143 SER 0.068 0.010 15 0 "[ . 1 . 2]"
1 144 ALA 0.076 0.010 1 0 "[ . 1 . 2]"
1 145 HIS 0.111 0.035 11 0 "[ . 1 . 2]"
1 146 ASP 0.064 0.011 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 36 ILE HA 1 133 LEU MD1 1.800 . 5.000 4.113 3.307 4.726 . 0 0 "[ . 1 . 2]" 1
2 1 36 ILE MD 1 124 VAL HA 1.800 . 5.000 4.476 3.759 5.006 0.006 8 0 "[ . 1 . 2]" 1
3 1 36 ILE MD 1 124 VAL MG1 1.800 . 5.000 2.979 2.297 3.840 . 0 0 "[ . 1 . 2]" 1
4 1 36 ILE MD 1 124 VAL MG2 1.800 . 5.000 2.655 2.101 3.226 . 0 0 "[ . 1 . 2]" 1
5 1 36 ILE MD 1 133 LEU H 1.800 . 5.000 4.616 3.971 5.006 0.006 18 0 "[ . 1 . 2]" 1
6 1 36 ILE MD 1 134 LEU H 1.800 . 5.000 4.277 3.629 5.002 0.002 3 0 "[ . 1 . 2]" 1
7 1 36 ILE MD 1 38 PHE QD 1.800 . 5.000 4.703 3.679 5.017 0.017 9 0 "[ . 1 . 2]" 1
8 1 36 ILE MD 1 38 PHE QE 1.800 . 5.000 3.484 2.345 4.319 . 0 0 "[ . 1 . 2]" 1
9 1 36 ILE MD 1 58 VAL H 1.800 . 5.000 4.310 3.244 5.011 0.011 14 0 "[ . 1 . 2]" 1
10 1 36 ILE QG 1 124 VAL MG2 1.800 . 5.000 4.277 3.389 4.987 . 0 0 "[ . 1 . 2]" 1
11 1 36 ILE QG 1 58 VAL H 1.800 . 5.000 3.520 2.247 4.652 . 0 0 "[ . 1 . 2]" 1
12 1 36 ILE MG 1 124 VAL MG2 1.800 . 5.000 3.518 2.002 5.011 0.011 18 0 "[ . 1 . 2]" 1
13 1 36 ILE MG 1 38 PHE QD 1.800 . 5.000 4.179 2.885 5.021 0.021 2 0 "[ . 1 . 2]" 1
14 1 36 ILE MG 1 38 PHE QE 1.800 . 5.000 3.572 2.406 5.014 0.014 18 0 "[ . 1 . 2]" 1
15 1 37 ALA HA 1 55 LEU MD2 1.800 . 5.000 2.703 1.799 4.226 0.001 10 0 "[ . 1 . 2]" 1
16 1 37 ALA MB 1 55 LEU MD1 1.800 . 5.000 4.518 3.545 5.009 0.009 6 0 "[ . 1 . 2]" 1
17 1 37 ALA MB 1 55 LEU MD2 1.800 . 5.000 3.519 2.430 4.873 . 0 0 "[ . 1 . 2]" 1
18 1 37 ALA MB 1 56 HIS HA 1.800 . 5.000 3.182 2.530 3.953 . 0 0 "[ . 1 . 2]" 1
19 1 37 ALA MB 1 56 HIS H 1.800 . 5.000 4.586 3.611 5.014 0.014 20 0 "[ . 1 . 2]" 1
20 1 38 PHE QB 1 123 LEU MD2 1.800 . 5.000 3.122 2.146 3.974 . 0 0 "[ . 1 . 2]" 1
21 1 38 PHE QB 1 40 ALA H 1.800 . 5.000 3.650 2.129 4.817 . 0 0 "[ . 1 . 2]" 1
22 1 38 PHE QD 1 123 LEU MD2 1.800 . 5.000 3.038 2.606 3.681 . 0 0 "[ . 1 . 2]" 1
23 1 38 PHE QD 1 123 LEU HG 1.800 . 5.000 4.115 3.238 5.006 0.006 7 0 "[ . 1 . 2]" 1
24 1 38 PHE QD 1 40 ALA MB 1.800 . 5.000 2.871 2.077 3.452 . 0 0 "[ . 1 . 2]" 1
25 1 38 PHE QD 1 83 LEU MD2 1.800 . 5.000 4.673 3.411 5.008 0.008 18 0 "[ . 1 . 2]" 1
26 1 38 PHE QE 1 123 LEU QB 1.800 . 5.000 4.327 3.273 4.870 . 0 0 "[ . 1 . 2]" 1
27 1 38 PHE QE 1 123 LEU MD2 1.800 . 5.000 3.032 2.657 3.625 . 0 0 "[ . 1 . 2]" 1
28 1 38 PHE QE 1 123 LEU HG 1.800 . 5.000 3.954 2.604 5.008 0.008 11 0 "[ . 1 . 2]" 1
29 1 38 PHE QE 1 40 ALA MB 1.800 . 5.000 4.120 2.138 5.019 0.019 2 0 "[ . 1 . 2]" 1
30 1 38 PHE QE 1 58 VAL MG1 1.800 . 5.000 2.805 2.104 3.990 . 0 0 "[ . 1 . 2]" 1
31 1 38 PHE QE 1 85 LEU QD 1.800 . 5.000 3.548 2.018 4.847 . 0 0 "[ . 1 . 2]" 1
32 1 38 PHE H 1 55 LEU MD2 1.800 . 5.000 2.727 1.850 4.817 . 0 0 "[ . 1 . 2]" 1
33 1 38 PHE HZ 1 120 LEU MD2 1.800 . 5.000 4.121 1.796 5.005 0.005 19 0 "[ . 1 . 2]" 1
34 1 40 ALA HA 1 85 LEU QD 1.800 . 5.000 3.573 2.762 4.911 . 0 0 "[ . 1 . 2]" 1
35 1 40 ALA MB 1 42 SER H 1.800 . 5.000 4.870 4.577 5.016 0.016 19 0 "[ . 1 . 2]" 1
36 1 40 ALA MB 1 55 LEU MD2 1.800 . 5.000 3.249 2.214 4.965 . 0 0 "[ . 1 . 2]" 1
37 1 40 ALA MB 1 84 TYR H 1.800 . 5.000 3.304 2.795 3.800 . 0 0 "[ . 1 . 2]" 1
38 1 40 ALA MB 1 85 LEU HA 1.800 . 5.000 3.089 2.221 3.907 . 0 0 "[ . 1 . 2]" 1
39 1 40 ALA MB 1 85 LEU QD 1.800 . 5.000 2.136 1.797 2.950 0.003 2 0 "[ . 1 . 2]" 1
40 1 41 ASP HA 1 42 SER H 1.800 . 2.900 2.161 2.112 2.235 . 0 0 "[ . 1 . 2]" 1
41 1 41 ASP HB3 1 84 TYR QB 1.800 . 5.000 2.831 1.792 4.597 0.008 15 0 "[ . 1 . 2]" 1
42 1 41 ASP HB3 1 84 TYR QD 1.800 . 5.000 3.000 2.319 3.745 . 0 0 "[ . 1 . 2]" 1
43 1 41 ASP HB2 1 84 TYR QB 1.800 . 5.000 2.517 1.789 3.886 0.011 1 0 "[ . 1 . 2]" 1
44 1 41 ASP HB2 1 84 TYR QD 1.800 . 5.000 3.353 2.079 4.704 . 0 0 "[ . 1 . 2]" 1
45 1 41 ASP QB 1 84 TYR H 1.800 . 5.000 3.272 2.852 3.976 . 0 0 "[ . 1 . 2]" 1
46 1 41 ASP H 1 84 TYR QD 1.800 . 5.000 4.223 3.891 4.668 . 0 0 "[ . 1 . 2]" 1
47 1 41 ASP H 1 84 TYR H 1.800 . 4.000 3.472 2.939 3.994 . 0 0 "[ . 1 . 2]" 1
48 1 41 ASP H 1 85 LEU QD 1.800 . 5.000 4.425 3.609 5.008 0.008 1 0 "[ . 1 . 2]" 1
49 1 42 SER HA 1 43 GLU H 1.800 . 3.500 2.149 2.100 2.218 . 0 0 "[ . 1 . 2]" 1
50 1 42 SER HA 1 83 LEU HA 1.800 . 3.000 2.663 2.461 2.989 . 0 0 "[ . 1 . 2]" 1
51 1 42 SER HA 1 83 LEU MD2 1.800 . 5.000 2.465 2.046 2.914 . 0 0 "[ . 1 . 2]" 1
52 1 42 SER HA 1 84 TYR QD 1.800 . 5.000 3.600 2.939 3.952 . 0 0 "[ . 1 . 2]" 1
53 1 42 SER HA 1 84 TYR QE 1.800 . 5.000 4.552 3.898 5.006 0.006 7 0 "[ . 1 . 2]" 1
54 1 42 SER HA 1 84 TYR H 1.800 . 5.000 3.564 3.275 3.808 . 0 0 "[ . 1 . 2]" 1
55 1 42 SER HB3 1 53 VAL MG1 1.800 . 5.000 3.069 2.257 4.680 . 0 0 "[ . 1 . 2]" 1
56 1 42 SER HB3 1 83 LEU MD2 1.800 . 5.000 2.852 1.803 3.745 . 0 0 "[ . 1 . 2]" 1
57 1 42 SER HB2 1 53 VAL MG1 1.800 . 5.000 3.175 2.270 4.195 . 0 0 "[ . 1 . 2]" 1
58 1 42 SER HB2 1 83 LEU MD2 1.800 . 5.000 2.793 2.050 4.101 . 0 0 "[ . 1 . 2]" 1
59 1 42 SER QB 1 53 VAL H 1.800 . 5.000 3.590 3.031 4.297 . 0 0 "[ . 1 . 2]" 1
60 1 42 SER QB 1 55 LEU H 1.800 . 5.000 3.720 3.104 4.138 . 0 0 "[ . 1 . 2]" 1
61 1 42 SER QB 1 83 LEU HA 1.800 . 5.000 3.798 3.190 4.423 . 0 0 "[ . 1 . 2]" 1
62 1 42 SER H 1 52 GLU QG 1.800 . 5.000 4.047 2.796 5.015 0.015 19 0 "[ . 1 . 2]" 1
63 1 42 SER H 1 53 VAL MG1 1.800 . 5.000 4.404 3.955 4.901 . 0 0 "[ . 1 . 2]" 1
64 1 42 SER H 1 53 VAL H 1.800 . 5.000 4.107 3.469 4.662 . 0 0 "[ . 1 . 2]" 1
65 1 42 SER H 1 54 LEU HA 1.800 . 5.000 4.834 4.092 5.012 0.012 20 0 "[ . 1 . 2]" 1
66 1 42 SER H 1 83 LEU MD2 1.800 . 5.000 4.399 3.809 4.792 . 0 0 "[ . 1 . 2]" 1
67 1 43 GLU HA 1 44 ILE H 1.800 . 2.900 2.156 2.114 2.266 . 0 0 "[ . 1 . 2]" 1
68 1 43 GLU HA 1 52 GLU HA 1.800 . 3.000 2.298 1.797 2.690 0.003 19 0 "[ . 1 . 2]" 1
69 1 43 GLU HA 1 53 VAL MG1 1.800 . 5.000 3.307 2.716 3.910 . 0 0 "[ . 1 . 2]" 1
70 1 43 GLU HA 1 53 VAL H 1.800 . 4.000 2.938 2.374 3.404 . 0 0 "[ . 1 . 2]" 1
71 1 43 GLU QB 1 51 TRP H 1.800 . 4.000 3.788 3.127 4.005 0.005 8 0 "[ . 1 . 2]" 1
72 1 43 GLU QB 1 52 GLU H 1.800 . 5.000 4.814 3.733 5.008 0.008 20 0 "[ . 1 . 2]" 1
73 1 43 GLU QB 1 82 ARG H 1.800 . 5.000 3.708 3.216 4.986 . 0 0 "[ . 1 . 2]" 1
74 1 43 GLU HG3 1 84 TYR QE 1.800 . 5.000 2.306 1.798 3.452 0.002 6 0 "[ . 1 . 2]" 1
75 1 43 GLU QG 1 82 ARG H 1.800 . 5.000 4.813 3.476 5.012 0.012 6 0 "[ . 1 . 2]" 1
76 1 43 GLU H 1 53 VAL MG1 1.800 . 5.000 4.368 3.772 5.003 0.003 6 0 "[ . 1 . 2]" 1
77 1 43 GLU H 1 82 ARG QB 1.800 . 5.000 3.095 2.499 3.578 . 0 0 "[ . 1 . 2]" 1
78 1 43 GLU H 1 82 ARG H 1.800 . 4.000 3.095 2.632 3.487 . 0 0 "[ . 1 . 2]" 1
79 1 43 GLU H 1 83 LEU HA 1.800 . 5.000 3.891 3.556 4.288 . 0 0 "[ . 1 . 2]" 1
80 1 43 GLU H 1 83 LEU MD2 1.800 . 5.000 3.808 3.152 4.328 . 0 0 "[ . 1 . 2]" 1
81 1 44 ILE HA 1 45 LEU H 1.800 . 2.900 2.134 2.090 2.181 . 0 0 "[ . 1 . 2]" 1
82 1 44 ILE HA 1 81 ALA HA 1.800 . 3.000 2.689 2.402 2.972 . 0 0 "[ . 1 . 2]" 1
83 1 44 ILE HA 1 81 ALA MB 1.800 . 5.000 4.007 3.706 4.392 . 0 0 "[ . 1 . 2]" 1
84 1 44 ILE HA 1 82 ARG H 1.800 . 5.000 3.522 3.288 3.992 . 0 0 "[ . 1 . 2]" 1
85 1 44 ILE MD 1 63 ILE MD 1.800 . 5.000 3.938 2.756 4.740 . 0 0 "[ . 1 . 2]" 1
86 1 44 ILE MD 1 63 ILE MG 1.800 . 5.000 4.120 3.477 4.882 . 0 0 "[ . 1 . 2]" 1
87 1 44 ILE MD 1 65 VAL MG1 1.800 . 5.000 2.676 1.806 3.283 . 0 0 "[ . 1 . 2]" 1
88 1 44 ILE MD 1 65 VAL MG2 1.800 . 5.000 2.267 1.793 3.235 0.007 16 0 "[ . 1 . 2]" 1
89 1 44 ILE MD 1 81 ALA HA 1.800 . 5.000 4.155 2.552 5.004 0.004 2 0 "[ . 1 . 2]" 1
90 1 44 ILE MD 1 81 ALA MB 1.800 . 5.000 3.706 2.442 4.606 . 0 0 "[ . 1 . 2]" 1
91 1 44 ILE MD 1 95 ILE MD 1.800 . 5.000 3.358 2.692 3.912 . 0 0 "[ . 1 . 2]" 1
92 1 44 ILE MD 1 107 PHE QE 1.800 . 5.000 3.079 2.413 4.704 . 0 0 "[ . 1 . 2]" 1
93 1 44 ILE HG13 1 53 VAL MG1 1.800 . 5.000 2.628 1.797 4.364 0.003 20 0 "[ . 1 . 2]" 1
94 1 44 ILE HG12 1 53 VAL MG1 1.800 . 5.000 3.357 3.175 3.765 . 0 0 "[ . 1 . 2]" 1
95 1 44 ILE QG 1 80 GLU H 1.800 . 5.000 4.907 4.286 5.007 0.007 1 0 "[ . 1 . 2]" 1
96 1 44 ILE QG 1 82 ARG H 1.800 . 5.000 4.276 3.826 4.572 . 0 0 "[ . 1 . 2]" 1
97 1 44 ILE MG 1 51 TRP HE3 1.800 . 5.000 3.085 1.798 5.004 0.004 5 0 "[ . 1 . 2]" 1
98 1 44 ILE MG 1 79 PHE HA 1.800 . 5.000 3.671 3.338 3.945 . 0 0 "[ . 1 . 2]" 1
99 1 44 ILE MG 1 79 PHE HB3 1.800 . 5.000 2.183 1.854 2.681 . 0 0 "[ . 1 . 2]" 1
100 1 44 ILE MG 1 79 PHE HB2 1.800 . 5.000 3.557 3.133 4.096 . 0 0 "[ . 1 . 2]" 1
101 1 44 ILE MG 1 79 PHE QD 1.800 . 5.000 3.046 2.611 3.594 . 0 0 "[ . 1 . 2]" 1
102 1 44 ILE MG 1 80 GLU H 1.800 . 5.000 3.041 2.741 3.550 . 0 0 "[ . 1 . 2]" 1
103 1 44 ILE MG 1 107 PHE QE 1.800 . 5.000 3.449 3.036 3.745 . 0 0 "[ . 1 . 2]" 1
104 1 44 ILE H 1 51 TRP QB 1.800 . 5.000 3.439 2.861 4.953 . 0 0 "[ . 1 . 2]" 1
105 1 44 ILE H 1 51 TRP H 1.800 . 4.000 3.177 2.858 3.596 . 0 0 "[ . 1 . 2]" 1
106 1 44 ILE H 1 52 GLU HA 1.800 . 4.000 3.540 2.543 3.915 . 0 0 "[ . 1 . 2]" 1
107 1 44 ILE H 1 53 VAL MG1 1.800 . 5.000 3.206 2.669 3.686 . 0 0 "[ . 1 . 2]" 1
108 1 45 LEU HA 1 46 GLN H 1.800 . 2.900 2.262 2.148 2.500 . 0 0 "[ . 1 . 2]" 1
109 1 45 LEU HA 1 49 ARG H 1.800 . 5.000 4.895 4.317 5.013 0.013 16 0 "[ . 1 . 2]" 1
110 1 45 LEU HA 1 50 ARG HA 1.800 . 3.000 2.388 2.026 3.006 0.006 4 0 "[ . 1 . 2]" 1
111 1 45 LEU HA 1 51 TRP HE3 1.800 . 5.000 3.514 2.500 4.325 . 0 0 "[ . 1 . 2]" 1
112 1 45 LEU HA 1 51 TRP H 1.800 . 3.500 3.284 2.807 3.516 0.016 10 0 "[ . 1 . 2]" 1
113 1 45 LEU QB 1 80 GLU QB 1.800 . 5.000 2.609 1.794 4.103 0.006 17 0 "[ . 1 . 2]" 1
114 1 45 LEU QB 1 80 GLU H 1.800 . 5.000 3.925 3.024 5.011 0.011 5 0 "[ . 1 . 2]" 1
115 1 45 LEU QD 1 50 ARG HA 1.800 . 5.000 2.698 1.991 3.773 . 0 0 "[ . 1 . 2]" 1
116 1 45 LEU QD 1 50 ARG QB 1.800 . 5.000 2.421 1.796 3.382 0.004 16 0 "[ . 1 . 2]" 1
117 1 45 LEU QD 1 50 ARG QD 1.800 . 5.000 3.330 1.865 4.155 . 0 0 "[ . 1 . 2]" 1
118 1 45 LEU QD 1 51 TRP H 1.800 . 5.000 3.501 2.652 4.603 . 0 0 "[ . 1 . 2]" 1
119 1 45 LEU QD 1 80 GLU QB 1.800 . 5.000 2.531 2.050 3.289 . 0 0 "[ . 1 . 2]" 1
120 1 45 LEU QD 1 80 GLU HG3 1.800 . 5.000 4.320 3.067 4.901 . 0 0 "[ . 1 . 2]" 1
121 1 45 LEU QD 1 80 GLU HG2 1.800 . 5.000 4.505 3.537 5.005 0.005 8 0 "[ . 1 . 2]" 1
122 1 45 LEU QD 1 80 GLU H 1.800 . 5.000 4.275 3.350 4.832 . 0 0 "[ . 1 . 2]" 1
123 1 45 LEU QD 1 82 ARG QD 1.800 . 5.000 2.519 1.797 3.581 0.003 10 0 "[ . 1 . 2]" 1
124 1 45 LEU QD 1 82 ARG H 1.800 . 5.000 3.824 3.151 4.716 . 0 0 "[ . 1 . 2]" 1
125 1 45 LEU QD 1 84 TYR QE 1.800 . 5.000 4.448 3.708 5.009 0.009 19 0 "[ . 1 . 2]" 1
126 1 45 LEU HG 1 50 ARG HA 1.800 . 5.000 4.656 3.218 5.005 0.005 16 0 "[ . 1 . 2]" 1
127 1 45 LEU HG 1 80 GLU H 1.800 . 5.000 4.429 3.372 5.009 0.009 12 0 "[ . 1 . 2]" 1
128 1 45 LEU H 1 79 PHE QB 1.800 . 5.000 4.384 3.764 4.895 . 0 0 "[ . 1 . 2]" 1
129 1 45 LEU H 1 80 GLU QB 1.800 . 5.000 2.774 2.454 3.182 . 0 0 "[ . 1 . 2]" 1
130 1 45 LEU H 1 80 GLU H 1.800 . 3.500 2.782 2.398 3.133 . 0 0 "[ . 1 . 2]" 1
131 1 45 LEU H 1 81 ALA HA 1.800 . 5.000 3.877 3.570 4.196 . 0 0 "[ . 1 . 2]" 1
132 1 46 GLN HA 1 80 GLU H 1.800 . 5.000 3.857 3.524 4.320 . 0 0 "[ . 1 . 2]" 1
133 1 46 GLN QB 1 49 ARG H 1.800 . 5.000 3.706 2.505 4.907 . 0 0 "[ . 1 . 2]" 1
134 1 46 GLN QB 1 79 PHE QE 1.800 . 5.000 3.094 2.159 4.384 . 0 0 "[ . 1 . 2]" 1
135 1 46 GLN H 1 49 ARG HA 1.800 . 5.000 4.812 4.459 5.006 0.006 20 0 "[ . 1 . 2]" 1
136 1 46 GLN H 1 49 ARG H 1.800 . 3.500 3.217 2.750 3.502 0.002 9 0 "[ . 1 . 2]" 1
137 1 46 GLN H 1 50 ARG HA 1.800 . 5.000 3.731 3.214 4.185 . 0 0 "[ . 1 . 2]" 1
138 1 47 GLY QA 1 49 ARG H 1.800 . 5.000 4.001 3.442 4.690 . 0 0 "[ . 1 . 2]" 1
139 1 48 GLU HA 1 49 ARG H 1.800 . 5.000 3.449 3.056 3.590 . 0 0 "[ . 1 . 2]" 1
140 1 49 ARG HA 1 50 ARG H 1.800 . 2.900 2.234 2.130 2.394 . 0 0 "[ . 1 . 2]" 1
141 1 49 ARG HB3 1 51 TRP HH2 1.800 . 5.000 3.722 2.778 4.896 . 0 0 "[ . 1 . 2]" 1
142 1 49 ARG HB2 1 51 TRP HH2 1.800 . 5.000 3.846 2.694 5.005 0.005 20 0 "[ . 1 . 2]" 1
143 1 50 ARG HA 1 51 TRP H 1.800 . 3.500 2.159 2.089 2.236 . 0 0 "[ . 1 . 2]" 1
144 1 51 TRP HA 1 52 GLU H 1.800 . 2.900 2.173 2.120 2.240 . 0 0 "[ . 1 . 2]" 1
145 1 52 GLU HA 1 53 VAL H 1.800 . 2.900 2.171 2.108 2.303 . 0 0 "[ . 1 . 2]" 1
146 1 53 VAL HA 1 54 LEU H 1.800 . 2.900 2.381 2.238 2.670 . 0 0 "[ . 1 . 2]" 1
147 1 53 VAL MG1 1 65 VAL HB 1.800 . 5.000 2.828 2.052 3.514 . 0 0 "[ . 1 . 2]" 1
148 1 53 VAL MG1 1 66 GLY H 1.800 . 5.000 4.200 3.451 4.666 . 0 0 "[ . 1 . 2]" 1
149 1 53 VAL MG2 1 65 VAL HB 1.800 . 5.000 2.192 1.811 3.681 . 0 0 "[ . 1 . 2]" 1
150 1 53 VAL MG2 1 65 VAL MG2 1.800 . 5.000 2.392 2.027 3.598 . 0 0 "[ . 1 . 2]" 1
151 1 53 VAL MG2 1 67 GLN H 1.800 . 5.000 3.886 3.406 4.747 . 0 0 "[ . 1 . 2]" 1
152 1 53 VAL MG2 1 68 PRO QD 1.800 . 5.000 3.167 1.859 4.336 . 0 0 "[ . 1 . 2]" 1
153 1 54 LEU HA 1 55 LEU H 1.800 . 2.900 2.150 2.117 2.193 . 0 0 "[ . 1 . 2]" 1
154 1 54 LEU HB2 1 66 GLY H 1.800 . 5.000 3.882 3.051 5.007 0.007 10 0 "[ . 1 . 2]" 1
155 1 54 LEU QB 1 66 GLY H 1.800 . 5.000 3.540 2.977 4.752 . 0 0 "[ . 1 . 2]" 1
156 1 54 LEU MD2 1 56 HIS HD2 1.800 . 5.000 4.708 3.022 5.010 0.010 19 0 "[ . 1 . 2]" 1
157 1 54 LEU H 1 68 PRO QD 1.800 . 5.000 4.300 3.540 5.008 0.008 8 0 "[ . 1 . 2]" 1
158 1 55 LEU HA 1 56 HIS HD2 1.800 . 5.000 3.838 3.308 5.008 0.008 9 0 "[ . 1 . 2]" 1
159 1 55 LEU HA 1 56 HIS H 1.800 . 3.500 2.239 2.192 2.309 . 0 0 "[ . 1 . 2]" 1
160 1 55 LEU MD1 1 57 ASP H 1.800 . 5.000 3.254 2.543 4.733 . 0 0 "[ . 1 . 2]" 1
161 1 55 LEU MD1 1 58 VAL HA 1.800 . 5.000 4.156 3.442 4.863 . 0 0 "[ . 1 . 2]" 1
162 1 55 LEU MD1 1 58 VAL HB 1.800 . 5.000 2.353 1.799 3.191 0.001 3 0 "[ . 1 . 2]" 1
163 1 55 LEU MD1 1 58 VAL MG2 1.800 . 5.000 3.463 2.684 3.997 . 0 0 "[ . 1 . 2]" 1
164 1 55 LEU MD1 1 63 ILE MD 1.800 . 5.000 2.091 1.884 2.372 . 0 0 "[ . 1 . 2]" 1
165 1 55 LEU MD2 1 58 VAL MG1 1.800 . 5.000 2.922 2.163 4.221 . 0 0 "[ . 1 . 2]" 1
166 1 55 LEU MD2 1 58 VAL MG2 1.800 . 5.000 4.284 3.356 5.004 0.004 7 0 "[ . 1 . 2]" 1
167 1 55 LEU HG 1 57 ASP H 1.800 . 5.000 3.728 2.704 4.970 . 0 0 "[ . 1 . 2]" 1
168 1 56 HIS HA 1 144 ALA MB 1.800 . 5.000 4.344 3.328 5.010 0.010 1 0 "[ . 1 . 2]" 1
169 1 56 HIS HA 1 57 ASP H 1.800 . 4.000 3.537 3.435 3.587 . 0 0 "[ . 1 . 2]" 1
170 1 56 HIS HB3 1 64 LEU MD2 1.800 . 5.000 3.420 2.449 4.510 . 0 0 "[ . 1 . 2]" 1
171 1 56 HIS HB3 1 64 LEU HG 1.800 . 5.000 3.828 2.790 4.647 . 0 0 "[ . 1 . 2]" 1
172 1 56 HIS HB2 1 64 LEU MD2 1.800 . 5.000 3.666 2.455 4.856 . 0 0 "[ . 1 . 2]" 1
173 1 56 HIS HB2 1 64 LEU HG 1.800 . 5.000 3.114 2.141 3.897 . 0 0 "[ . 1 . 2]" 1
174 1 56 HIS QB 1 64 LEU H 1.800 . 5.000 4.656 4.104 5.008 0.008 12 0 "[ . 1 . 2]" 1
175 1 56 HIS HD2 1 65 VAL HA 1.800 . 4.000 2.848 2.120 3.843 . 0 0 "[ . 1 . 2]" 1
176 1 56 HIS HD2 1 65 VAL HB 1.800 . 5.000 4.073 3.381 4.795 . 0 0 "[ . 1 . 2]" 1
177 1 56 HIS HD2 1 65 VAL MG1 1.800 . 5.000 4.243 3.458 5.003 0.003 9 0 "[ . 1 . 2]" 1
178 1 56 HIS HD2 1 66 GLY QA 1.800 . 5.000 3.197 2.355 4.050 . 0 0 "[ . 1 . 2]" 1
179 1 56 HIS HD2 1 66 GLY H 1.800 . 5.000 2.569 1.960 3.535 . 0 0 "[ . 1 . 2]" 1
180 1 56 HIS HD2 1 104 LEU MD2 1.800 . 5.000 4.446 2.837 5.008 0.008 12 0 "[ . 1 . 2]" 1
181 1 56 HIS HE1 1 143 SER QB 1.800 . 5.000 4.062 2.436 5.005 0.005 3 0 "[ . 1 . 2]" 1
182 1 56 HIS HE1 1 144 ALA MB 1.800 . 5.000 4.634 3.034 5.009 0.009 8 0 "[ . 1 . 2]" 1
183 1 56 HIS HE1 1 66 GLY QA 1.800 . 5.000 4.345 3.144 5.004 0.004 9 0 "[ . 1 . 2]" 1
184 1 56 HIS HE1 1 104 LEU MD2 1.800 . 5.000 3.815 2.214 4.969 . 0 0 "[ . 1 . 2]" 1
185 1 56 HIS H 1 56 HIS HD2 1.800 . 5.000 3.586 3.005 4.628 . 0 0 "[ . 1 . 2]" 1
186 1 56 HIS H 1 65 VAL HA 1.800 . 5.000 2.892 2.495 3.409 . 0 0 "[ . 1 . 2]" 1
187 1 56 HIS H 1 65 VAL MG1 1.800 . 5.000 3.060 2.358 3.850 . 0 0 "[ . 1 . 2]" 1
188 1 57 ASP HA 1 141 LEU MD2 1.800 . 5.000 4.744 4.029 5.008 0.008 17 0 "[ . 1 . 2]" 1
189 1 57 ASP HA 1 58 VAL H 1.800 . 2.900 2.364 2.200 2.577 . 0 0 "[ . 1 . 2]" 1
190 1 57 ASP QB 1 141 LEU QB 1.800 . 5.000 3.168 2.341 4.181 . 0 0 "[ . 1 . 2]" 1
191 1 57 ASP QB 1 141 LEU MD1 1.800 . 5.000 4.393 3.051 4.991 . 0 0 "[ . 1 . 2]" 1
192 1 57 ASP QB 1 141 LEU MD2 1.800 . 5.000 2.985 2.449 3.483 . 0 0 "[ . 1 . 2]" 1
193 1 57 ASP QB 1 142 VAL H 1.800 . 5.000 4.666 3.792 5.012 0.012 7 0 "[ . 1 . 2]" 1
194 1 57 ASP QB 1 64 LEU MD2 1.800 . 5.000 2.859 2.312 3.692 . 0 0 "[ . 1 . 2]" 1
195 1 57 ASP QB 1 64 LEU H 1.800 . 5.000 3.661 3.050 4.083 . 0 0 "[ . 1 . 2]" 1
196 1 57 ASP H 1 64 LEU HB3 1.800 . 5.000 3.023 2.588 3.385 . 0 0 "[ . 1 . 2]" 1
197 1 57 ASP H 1 64 LEU QB 1.800 . 5.000 2.987 2.568 3.334 . 0 0 "[ . 1 . 2]" 1
198 1 57 ASP H 1 64 LEU HB2 1.800 . 5.000 4.690 4.302 5.002 0.002 3 0 "[ . 1 . 2]" 1
199 1 57 ASP H 1 64 LEU MD2 1.800 . 5.000 4.071 3.502 4.712 . 0 0 "[ . 1 . 2]" 1
200 1 57 ASP H 1 64 LEU HG 1.800 . 5.000 4.203 3.784 4.582 . 0 0 "[ . 1 . 2]" 1
201 1 57 ASP H 1 64 LEU H 1.800 . 4.000 3.354 2.997 3.645 . 0 0 "[ . 1 . 2]" 1
202 1 57 ASP H 1 65 VAL HA 1.800 . 5.000 3.940 3.431 4.393 . 0 0 "[ . 1 . 2]" 1
203 1 58 VAL HA 1 141 LEU MD2 1.800 . 5.000 3.177 2.417 4.437 . 0 0 "[ . 1 . 2]" 1
204 1 58 VAL HA 1 59 SER H 1.800 . 3.500 2.261 2.152 2.381 . 0 0 "[ . 1 . 2]" 1
205 1 58 VAL HA 1 63 ILE HA 1.800 . 4.000 2.135 1.970 2.485 . 0 0 "[ . 1 . 2]" 1
206 1 58 VAL HA 1 63 ILE MG 1.800 . 5.000 4.645 4.336 4.980 . 0 0 "[ . 1 . 2]" 1
207 1 58 VAL HA 1 64 LEU H 1.800 . 5.000 3.005 2.526 3.555 . 0 0 "[ . 1 . 2]" 1
208 1 58 VAL HB 1 63 ILE MD 1.800 . 5.000 3.039 2.452 3.490 . 0 0 "[ . 1 . 2]" 1
209 1 58 VAL HB 1 63 ILE QG 1.800 . 5.000 2.258 1.918 2.705 . 0 0 "[ . 1 . 2]" 1
210 1 58 VAL HB 1 63 ILE MG 1.800 . 5.000 4.824 4.479 5.004 0.004 2 0 "[ . 1 . 2]" 1
211 1 58 VAL MG1 1 83 LEU MD1 1.800 . 5.000 3.358 2.747 4.233 . 0 0 "[ . 1 . 2]" 1
212 1 58 VAL MG2 1 62 GLY H 1.800 . 5.000 4.446 4.017 5.008 0.008 18 0 "[ . 1 . 2]" 1
213 1 58 VAL MG2 1 63 ILE HA 1.800 . 5.000 2.809 2.161 3.729 . 0 0 "[ . 1 . 2]" 1
214 1 58 VAL MG2 1 63 ILE HB 1.800 . 5.000 2.105 1.800 2.474 0.000 1 0 "[ . 1 . 2]" 1
215 1 58 VAL MG2 1 63 ILE MD 1.800 . 5.000 2.585 2.175 3.104 . 0 0 "[ . 1 . 2]" 1
216 1 58 VAL MG2 1 63 ILE MG 1.800 . 5.000 3.576 3.257 3.873 . 0 0 "[ . 1 . 2]" 1
217 1 58 VAL MG2 1 83 LEU MD1 1.800 . 5.000 2.927 2.263 4.029 . 0 0 "[ . 1 . 2]" 1
218 1 58 VAL MG2 1 93 MET ME 1.800 . 5.000 2.813 2.232 3.524 . 0 0 "[ . 1 . 2]" 1
219 1 58 VAL H 1 141 LEU MD2 1.800 . 5.000 3.647 2.758 4.620 . 0 0 "[ . 1 . 2]" 1
220 1 59 SER HA 1 141 LEU MD2 1.800 . 5.000 3.985 3.341 4.622 . 0 0 "[ . 1 . 2]" 1
221 1 59 SER HA 1 60 LEU H 1.800 . 3.500 2.691 2.592 2.825 . 0 0 "[ . 1 . 2]" 1
222 1 59 SER HA 1 61 HIS H 1.800 . 5.000 4.100 3.892 4.382 . 0 0 "[ . 1 . 2]" 1
223 1 59 SER HB3 1 136 ARG H 1.800 . 5.000 4.438 3.460 5.010 0.010 2 0 "[ . 1 . 2]" 1
224 1 59 SER HB3 1 61 HIS HE1 1.800 . 5.000 4.426 3.088 5.015 0.015 11 0 "[ . 1 . 2]" 1
225 1 59 SER HB2 1 136 ARG H 1.800 . 5.000 4.367 3.593 5.009 0.009 2 0 "[ . 1 . 2]" 1
226 1 59 SER HB2 1 61 HIS HE1 1.800 . 5.000 3.985 2.991 5.004 0.004 15 0 "[ . 1 . 2]" 1
227 1 59 SER QB 1 141 LEU MD2 1.800 . 5.000 2.200 1.791 2.682 0.009 16 0 "[ . 1 . 2]" 1
228 1 59 SER QB 1 61 HIS HD2 1.800 . 5.000 3.938 2.715 4.805 . 0 0 "[ . 1 . 2]" 1
229 1 59 SER QB 1 61 HIS H 1.800 . 5.000 2.644 2.377 3.005 . 0 0 "[ . 1 . 2]" 1
230 1 59 SER H 1 61 HIS H 1.800 . 5.000 3.974 3.649 4.616 . 0 0 "[ . 1 . 2]" 1
231 1 59 SER H 1 62 GLY H 1.800 . 4.000 3.436 3.117 3.860 . 0 0 "[ . 1 . 2]" 1
232 1 59 SER H 1 63 ILE HA 1.800 . 5.000 3.084 2.776 3.497 . 0 0 "[ . 1 . 2]" 1
233 1 59 SER H 1 63 ILE HB 1.800 . 5.000 3.872 3.287 4.632 . 0 0 "[ . 1 . 2]" 1
234 1 59 SER H 1 93 MET ME 1.800 . 5.000 4.268 3.450 4.849 . 0 0 "[ . 1 . 2]" 1
235 1 60 LEU HA 1 62 GLY H 1.800 . 5.000 3.914 3.568 4.675 . 0 0 "[ . 1 . 2]" 1
236 1 60 LEU HA 1 93 MET ME 1.800 . 5.000 4.463 3.824 5.002 0.002 11 0 "[ . 1 . 2]" 1
237 1 60 LEU HA 1 112 ILE MD 1.800 . 5.000 3.402 2.131 4.989 . 0 0 "[ . 1 . 2]" 1
238 1 60 LEU QB 1 61 HIS HD2 1.800 . 5.000 2.908 2.228 3.649 . 0 0 "[ . 1 . 2]" 1
239 1 60 LEU MD1 1 61 HIS HD2 1.800 . 5.000 4.741 4.077 5.022 0.022 13 0 "[ . 1 . 2]" 1
240 1 60 LEU HG 1 61 HIS HD2 1.800 . 5.000 4.480 3.466 5.012 0.012 5 0 "[ . 1 . 2]" 1
241 1 60 LEU H 1 141 LEU MD2 1.800 . 5.000 4.886 4.296 5.012 0.012 7 0 "[ . 1 . 2]" 1
242 1 60 LEU H 1 61 HIS H 1.800 . 2.500 2.481 2.289 2.518 0.018 2 0 "[ . 1 . 2]" 1
243 1 60 LEU H 1 62 GLY H 1.800 . 5.000 4.149 3.911 4.346 . 0 0 "[ . 1 . 2]" 1
244 1 61 HIS HA 1 62 GLY H 1.800 . 4.000 3.269 3.038 3.517 . 0 0 "[ . 1 . 2]" 1
245 1 61 HIS HB3 1 137 GLU HA 1.800 . 5.000 4.188 3.341 4.873 . 0 0 "[ . 1 . 2]" 1
246 1 61 HIS HB3 1 138 LEU H 1.800 . 5.000 4.144 3.084 5.021 0.021 8 0 "[ . 1 . 2]" 1
247 1 61 HIS HB2 1 137 GLU HA 1.800 . 5.000 3.797 2.490 4.639 . 0 0 "[ . 1 . 2]" 1
248 1 61 HIS HB2 1 138 LEU H 1.800 . 5.000 3.366 2.461 3.990 . 0 0 "[ . 1 . 2]" 1
249 1 61 HIS QB 1 141 LEU MD2 1.800 . 5.000 4.505 3.168 5.037 0.037 1 0 "[ . 1 . 2]" 1
250 1 61 HIS HD2 1 135 GLU HA 1.800 . 5.000 4.197 3.062 5.010 0.010 7 0 "[ . 1 . 2]" 1
251 1 61 HIS HD2 1 137 GLU HA 1.800 . 5.000 4.889 4.434 5.030 0.030 6 0 "[ . 1 . 2]" 1
252 1 61 HIS HD2 1 62 GLY H 1.800 . 5.000 4.914 4.451 5.028 0.028 17 0 "[ . 1 . 2]" 1
253 1 61 HIS HE1 1 136 ARG H 1.800 . 5.000 3.571 2.001 5.008 0.008 11 0 "[ . 1 . 2]" 1
254 1 61 HIS HE1 1 137 GLU H 1.800 . 5.000 3.743 2.433 4.320 . 0 0 "[ . 1 . 2]" 1
255 1 61 HIS H 1 62 GLY H 1.800 . 2.500 2.033 1.882 2.420 . 0 0 "[ . 1 . 2]" 1
256 1 61 HIS H 1 109 CYS QB 1.800 . 5.000 4.662 4.359 5.012 0.012 11 0 "[ . 1 . 2]" 1
257 1 62 GLY HA3 1 63 ILE H 1.800 . 3.500 2.453 2.157 2.833 . 0 0 "[ . 1 . 2]" 1
258 1 62 GLY HA3 1 108 GLU HA 1.800 . 5.000 2.900 2.415 3.596 . 0 0 "[ . 1 . 2]" 1
259 1 62 GLY HA3 1 109 CYS H 1.800 . 5.000 3.341 2.740 4.257 . 0 0 "[ . 1 . 2]" 1
260 1 62 GLY HA2 1 63 ILE H 1.800 . 3.500 2.685 2.310 3.119 . 0 0 "[ . 1 . 2]" 1
261 1 62 GLY HA2 1 108 GLU HA 1.800 . 5.000 3.231 2.438 3.995 . 0 0 "[ . 1 . 2]" 1
262 1 62 GLY HA2 1 109 CYS H 1.800 . 5.000 2.750 1.966 3.388 . 0 0 "[ . 1 . 2]" 1
263 1 62 GLY QA 1 93 MET ME 1.800 . 5.000 3.680 2.396 5.003 0.003 13 0 "[ . 1 . 2]" 1
264 1 62 GLY H 1 141 LEU MD2 1.800 . 5.000 4.481 3.569 5.008 0.008 17 0 "[ . 1 . 2]" 1
265 1 62 GLY H 1 93 MET ME 1.800 . 5.000 4.264 2.874 5.001 0.001 9 0 "[ . 1 . 2]" 1
266 1 62 GLY H 1 109 CYS HB3 1.800 . 5.000 4.058 2.795 5.015 0.015 17 0 "[ . 1 . 2]" 1
267 1 62 GLY H 1 109 CYS HB2 1.800 . 5.000 4.421 3.151 5.006 0.006 7 0 "[ . 1 . 2]" 1
268 1 62 GLY H 1 109 CYS H 1.800 . 5.000 4.157 3.437 4.519 . 0 0 "[ . 1 . 2]" 1
269 1 63 ILE HA 1 141 LEU MD2 1.800 . 5.000 3.537 2.772 5.009 0.009 17 0 "[ . 1 . 2]" 1
270 1 63 ILE HA 1 64 LEU H 1.800 . 3.500 2.227 2.132 2.321 . 0 0 "[ . 1 . 2]" 1
271 1 63 ILE MD 1 81 ALA MB 1.800 . 5.000 2.780 2.471 3.141 . 0 0 "[ . 1 . 2]" 1
272 1 63 ILE MD 1 83 LEU MD2 1.800 . 5.000 2.767 2.228 3.548 . 0 0 "[ . 1 . 2]" 1
273 1 63 ILE MD 1 95 ILE MD 1.800 . 5.000 3.421 2.911 3.886 . 0 0 "[ . 1 . 2]" 1
274 1 63 ILE MG 1 81 ALA MB 1.800 . 5.000 2.959 2.550 3.667 . 0 0 "[ . 1 . 2]" 1
275 1 63 ILE MG 1 93 MET ME 1.800 . 5.000 3.235 2.534 4.474 . 0 0 "[ . 1 . 2]" 1
276 1 63 ILE MG 1 95 ILE MD 1.800 . 5.000 2.262 2.014 2.663 . 0 0 "[ . 1 . 2]" 1
277 1 63 ILE MG 1 95 ILE MG 1.800 . 5.000 2.373 2.057 2.757 . 0 0 "[ . 1 . 2]" 1
278 1 63 ILE MG 1 107 PHE QB 1.800 . 5.000 1.972 1.794 2.339 0.006 18 0 "[ . 1 . 2]" 1
279 1 63 ILE MG 1 107 PHE QD 1.800 . 5.000 2.270 1.797 2.689 0.003 2 0 "[ . 1 . 2]" 1
280 1 63 ILE MG 1 107 PHE H 1.800 . 5.000 2.988 2.600 3.435 . 0 0 "[ . 1 . 2]" 1
281 1 63 ILE H 1 138 LEU QB 1.800 . 5.000 4.972 4.492 5.011 0.011 5 0 "[ . 1 . 2]" 1
282 1 63 ILE H 1 138 LEU MD1 1.800 . 5.000 3.133 2.578 4.199 . 0 0 "[ . 1 . 2]" 1
283 1 63 ILE H 1 138 LEU MD2 1.800 . 5.000 4.097 3.496 4.575 . 0 0 "[ . 1 . 2]" 1
284 1 63 ILE H 1 107 PHE HB3 1.800 . 5.000 4.402 3.961 4.824 . 0 0 "[ . 1 . 2]" 1
285 1 63 ILE H 1 107 PHE HB2 1.800 . 5.000 3.056 2.706 3.532 . 0 0 "[ . 1 . 2]" 1
286 1 63 ILE H 1 107 PHE H 1.800 . 5.000 2.836 2.458 3.089 . 0 0 "[ . 1 . 2]" 1
287 1 64 LEU HA 1 65 VAL H 1.800 . 2.900 2.146 2.100 2.176 . 0 0 "[ . 1 . 2]" 1
288 1 64 LEU HA 1 106 GLY HA3 1.800 . 5.000 3.986 3.440 4.489 . 0 0 "[ . 1 . 2]" 1
289 1 64 LEU HA 1 106 GLY HA2 1.800 . 5.000 2.477 2.260 2.853 . 0 0 "[ . 1 . 2]" 1
290 1 64 LEU HA 1 107 PHE H 1.800 . 5.000 3.548 3.321 3.721 . 0 0 "[ . 1 . 2]" 1
291 1 64 LEU QB 1 107 PHE H 1.800 . 5.000 4.760 4.504 5.002 0.002 18 0 "[ . 1 . 2]" 1
292 1 64 LEU MD1 1 99 TRP HH2 1.800 . 5.000 2.891 2.119 4.340 . 0 0 "[ . 1 . 2]" 1
293 1 64 LEU MD1 1 99 TRP HZ2 1.800 . 5.000 3.523 2.508 5.004 0.004 7 0 "[ . 1 . 2]" 1
294 1 64 LEU MD1 1 104 LEU HA 1.800 . 5.000 3.433 3.124 4.294 . 0 0 "[ . 1 . 2]" 1
295 1 64 LEU MD1 1 104 LEU MD2 1.800 . 5.000 3.141 2.295 4.208 . 0 0 "[ . 1 . 2]" 1
296 1 64 LEU MD1 1 105 LEU H 1.800 . 5.000 2.954 2.667 3.291 . 0 0 "[ . 1 . 2]" 1
297 1 64 LEU MD1 1 106 GLY H 1.800 . 5.000 3.526 3.266 3.868 . 0 0 "[ . 1 . 2]" 1
298 1 64 LEU MD2 1 141 LEU QB 1.800 . 5.000 2.991 2.507 3.684 . 0 0 "[ . 1 . 2]" 1
299 1 64 LEU MD2 1 142 VAL H 1.800 . 5.000 4.132 3.403 4.759 . 0 0 "[ . 1 . 2]" 1
300 1 64 LEU MD2 1 143 SER HA 1.800 . 5.000 2.790 2.379 3.422 . 0 0 "[ . 1 . 2]" 1
301 1 64 LEU MD2 1 143 SER HB3 1.800 . 5.000 3.429 1.957 4.801 . 0 0 "[ . 1 . 2]" 1
302 1 64 LEU MD2 1 143 SER HB2 1.800 . 5.000 3.674 2.121 5.003 0.003 15 0 "[ . 1 . 2]" 1
303 1 64 LEU MD2 1 143 SER H 1.800 . 5.000 2.971 2.090 3.719 . 0 0 "[ . 1 . 2]" 1
304 1 64 LEU MD2 1 99 TRP HH2 1.800 . 5.000 3.612 2.425 4.615 . 0 0 "[ . 1 . 2]" 1
305 1 64 LEU MD2 1 104 LEU MD2 1.800 . 5.000 3.017 2.286 4.163 . 0 0 "[ . 1 . 2]" 1
306 1 64 LEU QD 1 142 VAL HA 1.800 . 5.000 2.757 2.143 3.497 . 0 0 "[ . 1 . 2]" 1
307 1 65 VAL HA 1 66 GLY H 1.800 . 3.500 2.512 2.400 2.694 . 0 0 "[ . 1 . 2]" 1
308 1 65 VAL MG2 1 105 LEU QB 1.800 . 5.000 2.221 1.818 2.949 . 0 0 "[ . 1 . 2]" 1
309 1 65 VAL MG2 1 105 LEU MD1 1.800 . 5.000 2.695 1.991 3.488 . 0 0 "[ . 1 . 2]" 1
310 1 65 VAL MG2 1 105 LEU H 1.800 . 5.000 3.224 2.963 3.540 . 0 0 "[ . 1 . 2]" 1
311 1 65 VAL MG2 1 107 PHE QD 1.800 . 5.000 2.933 2.609 3.526 . 0 0 "[ . 1 . 2]" 1
312 1 65 VAL MG2 1 107 PHE QE 1.800 . 5.000 1.835 1.795 1.987 0.005 5 0 "[ . 1 . 2]" 1
313 1 65 VAL H 1 105 LEU QB 1.800 . 5.000 3.369 2.880 4.089 . 0 0 "[ . 1 . 2]" 1
314 1 65 VAL H 1 105 LEU MD1 1.800 . 5.000 4.706 4.318 5.011 0.011 2 0 "[ . 1 . 2]" 1
315 1 65 VAL H 1 105 LEU H 1.800 . 5.000 3.135 2.792 3.566 . 0 0 "[ . 1 . 2]" 1
316 1 66 GLY HA3 1 67 GLN H 1.800 . 4.000 3.267 2.683 3.459 . 0 0 "[ . 1 . 2]" 1
317 1 66 GLY HA3 1 104 LEU MD2 1.800 . 5.000 3.274 2.544 4.145 . 0 0 "[ . 1 . 2]" 1
318 1 66 GLY HA3 1 105 LEU H 1.800 . 5.000 4.758 3.497 5.008 0.008 6 0 "[ . 1 . 2]" 1
319 1 66 GLY HA2 1 67 GLN H 1.800 . 4.000 2.176 2.080 2.467 . 0 0 "[ . 1 . 2]" 1
320 1 66 GLY HA2 1 104 LEU MD2 1.800 . 5.000 3.011 2.412 3.727 . 0 0 "[ . 1 . 2]" 1
321 1 66 GLY HA2 1 105 LEU H 1.800 . 5.000 3.258 2.948 3.447 . 0 0 "[ . 1 . 2]" 1
322 1 66 GLY QA 1 104 LEU HA 1.800 . 5.000 2.629 2.353 2.885 . 0 0 "[ . 1 . 2]" 1
323 1 66 GLY QA 1 104 LEU QB 1.800 . 5.000 4.439 4.080 4.721 . 0 0 "[ . 1 . 2]" 1
324 1 67 GLN HA 1 68 PRO QD 1.800 . 5.000 2.079 1.795 3.618 0.005 13 0 "[ . 1 . 2]" 1
325 1 67 GLN HA 1 105 LEU MD1 1.800 . 5.000 4.069 2.501 5.004 0.004 5 0 "[ . 1 . 2]" 1
326 1 67 GLN QB 1 103 GLY QA 1.800 . 5.000 4.341 2.603 5.010 0.010 18 0 "[ . 1 . 2]" 1
327 1 67 GLN H 1 68 PRO QD 1.800 . 5.000 3.890 2.272 4.422 . 0 0 "[ . 1 . 2]" 1
328 1 67 GLN H 1 103 GLY QA 1.800 . 5.000 3.534 3.061 4.228 . 0 0 "[ . 1 . 2]" 1
329 1 67 GLN H 1 104 LEU HA 1.800 . 5.000 3.952 3.472 4.393 . 0 0 "[ . 1 . 2]" 1
330 1 67 GLN H 1 104 LEU MD2 1.800 . 5.000 4.539 4.129 4.989 . 0 0 "[ . 1 . 2]" 1
331 1 67 GLN H 1 105 LEU MD1 1.800 . 5.000 2.826 1.971 4.092 . 0 0 "[ . 1 . 2]" 1
332 1 67 GLN H 1 105 LEU MD2 1.800 . 5.000 4.487 3.825 5.001 0.001 5 0 "[ . 1 . 2]" 1
333 1 67 GLN H 1 105 LEU H 1.800 . 5.000 4.128 3.309 4.905 . 0 0 "[ . 1 . 2]" 1
334 1 68 PRO QD 1 105 LEU MD1 1.800 . 5.000 4.530 2.054 5.015 0.015 1 0 "[ . 1 . 2]" 1
335 1 71 TRP HD1 1 100 ALA MB 1.800 . 5.000 4.380 3.282 5.023 0.023 18 0 "[ . 1 . 2]" 1
336 1 71 TRP HD1 1 105 LEU MD2 1.800 . 5.000 3.712 2.856 4.669 . 0 0 "[ . 1 . 2]" 1
337 1 71 TRP HE1 1 97 LEU QB 1.800 . 5.000 4.525 3.764 5.006 0.006 6 0 "[ . 1 . 2]" 1
338 1 71 TRP HE1 1 97 LEU MD2 1.800 . 5.000 2.386 1.796 3.450 0.004 19 0 "[ . 1 . 2]" 1
339 1 71 TRP HE1 1 105 LEU MD1 1.800 . 5.000 3.906 2.370 5.006 0.006 9 0 "[ . 1 . 2]" 1
340 1 71 TRP HH2 1 79 PHE QE 1.800 . 5.000 4.250 3.213 5.005 0.005 5 0 "[ . 1 . 2]" 1
341 1 71 TRP HH2 1 97 LEU MD2 1.800 . 5.000 4.689 3.883 5.006 0.006 19 0 "[ . 1 . 2]" 1
342 1 71 TRP HH2 1 107 PHE QE 1.800 . 5.000 3.059 2.012 4.285 . 0 0 "[ . 1 . 2]" 1
343 1 71 TRP HZ2 1 97 LEU QB 1.800 . 5.000 3.800 2.404 4.704 . 0 0 "[ . 1 . 2]" 1
344 1 71 TRP HZ2 1 97 LEU MD1 1.800 . 5.000 2.923 1.936 4.890 . 0 0 "[ . 1 . 2]" 1
345 1 71 TRP HZ2 1 97 LEU MD2 1.800 . 5.000 2.919 1.800 3.689 0.000 8 0 "[ . 1 . 2]" 1
346 1 71 TRP HZ2 1 105 LEU MD2 1.800 . 5.000 3.035 1.804 4.481 . 0 0 "[ . 1 . 2]" 1
347 1 72 ASN QD 1 74 ASP H 1.800 . 5.000 4.139 1.999 5.012 0.012 7 0 "[ . 1 . 2]" 1
348 1 72 ASN H 1 74 ASP H 1.800 . 5.000 4.849 4.207 5.015 0.015 9 0 "[ . 1 . 2]" 1
349 1 73 GLY HA3 1 74 ASP H 1.800 . 4.000 2.875 2.322 3.555 . 0 0 "[ . 1 . 2]" 1
350 1 73 GLY HA2 1 74 ASP H 1.800 . 4.000 3.327 2.463 3.591 . 0 0 "[ . 1 . 2]" 1
351 1 73 GLY H 1 77 ARG QB 1.800 . 5.000 4.989 4.736 5.028 0.028 1 0 "[ . 1 . 2]" 1
352 1 74 ASP HA 1 75 PRO HD3 1.800 . 4.000 2.169 1.826 2.654 . 0 0 "[ . 1 . 2]" 1
353 1 74 ASP HA 1 75 PRO HD2 1.800 . 4.000 2.449 1.981 2.813 . 0 0 "[ . 1 . 2]" 1
354 1 74 ASP HA 1 75 PRO QG 1.800 . 5.000 3.909 3.705 4.275 . 0 0 "[ . 1 . 2]" 1
355 1 74 ASP HA 1 76 GLN H 1.800 . 5.000 3.824 3.200 4.433 . 0 0 "[ . 1 . 2]" 1
356 1 74 ASP QB 1 77 ARG H 1.800 . 5.000 3.787 2.653 4.890 . 0 0 "[ . 1 . 2]" 1
357 1 74 ASP H 1 75 PRO HD3 1.800 . 5.000 4.486 3.855 4.879 . 0 0 "[ . 1 . 2]" 1
358 1 74 ASP H 1 75 PRO HD2 1.800 . 5.000 4.915 4.721 5.018 0.018 17 0 "[ . 1 . 2]" 1
359 1 74 ASP H 1 76 GLN H 1.800 . 5.000 4.738 4.241 5.014 0.014 9 0 "[ . 1 . 2]" 1
360 1 74 ASP H 1 77 ARG H 1.800 . 5.000 4.719 3.904 5.018 0.018 8 0 "[ . 1 . 2]" 1
361 1 75 PRO HA 1 76 GLN H 1.800 . 3.500 3.273 2.943 3.502 0.002 10 0 "[ . 1 . 2]" 1
362 1 75 PRO HA 1 77 ARG H 1.800 . 4.000 3.515 3.100 4.000 . 15 0 "[ . 1 . 2]" 1
363 1 75 PRO HA 1 79 PHE QD 1.800 . 5.000 4.770 4.161 5.009 0.009 12 0 "[ . 1 . 2]" 1
364 1 75 PRO HA 1 79 PHE QE 1.800 . 5.000 3.115 1.977 4.150 . 0 0 "[ . 1 . 2]" 1
365 1 75 PRO HA 1 97 LEU MD2 1.800 . 5.000 3.045 1.801 4.967 . 0 0 "[ . 1 . 2]" 1
366 1 75 PRO HB3 1 97 LEU MD2 1.800 . 5.000 2.985 1.910 4.392 . 0 0 "[ . 1 . 2]" 1
367 1 75 PRO HB2 1 97 LEU MD2 1.800 . 5.000 4.025 2.178 5.006 0.006 13 0 "[ . 1 . 2]" 1
368 1 75 PRO QB 1 97 LEU MD1 1.800 . 5.000 4.332 2.082 5.012 0.012 9 0 "[ . 1 . 2]" 1
369 1 75 PRO HD3 1 76 GLN H 1.800 . 5.000 4.120 3.829 4.558 . 0 0 "[ . 1 . 2]" 1
370 1 75 PRO HD2 1 76 GLN H 1.800 . 5.000 3.138 2.736 3.803 . 0 0 "[ . 1 . 2]" 1
371 1 76 GLN HA 1 77 ARG H 1.800 . 3.500 3.264 3.052 3.442 . 0 0 "[ . 1 . 2]" 1
372 1 76 GLN H 1 77 ARG QD 1.800 . 5.000 4.701 3.114 5.032 0.032 8 0 "[ . 1 . 2]" 1
373 1 76 GLN H 1 77 ARG QG 1.800 . 5.000 4.086 3.352 5.038 0.038 4 0 "[ . 1 . 2]" 1
374 1 76 GLN H 1 77 ARG H 1.800 . 2.500 2.206 1.793 2.505 0.007 2 0 "[ . 1 . 2]" 1
375 1 77 ARG HA 1 78 PRO HD3 1.800 . 5.000 2.210 1.919 2.580 . 0 0 "[ . 1 . 2]" 1
376 1 77 ARG HA 1 78 PRO HD2 1.800 . 5.000 2.195 1.830 2.551 . 0 0 "[ . 1 . 2]" 1
377 1 77 ARG HA 1 78 PRO QG 1.800 . 5.000 3.826 3.713 3.991 . 0 0 "[ . 1 . 2]" 1
378 1 77 ARG H 1 78 PRO HD3 1.800 . 5.000 4.583 4.121 5.008 0.008 3 0 "[ . 1 . 2]" 1
379 1 77 ARG H 1 78 PRO HD2 1.800 . 5.000 4.883 4.551 5.015 0.015 7 0 "[ . 1 . 2]" 1
380 1 78 PRO HA 1 79 PHE QD 1.800 . 5.000 4.508 3.910 4.895 . 0 0 "[ . 1 . 2]" 1
381 1 78 PRO HA 1 79 PHE H 1.800 . 2.900 2.177 2.120 2.323 . 0 0 "[ . 1 . 2]" 1
382 1 78 PRO HA 1 96 SER HA 1.800 . 5.000 3.252 2.234 3.887 . 0 0 "[ . 1 . 2]" 1
383 1 79 PHE HA 1 80 GLU H 1.800 . 3.500 2.278 2.160 2.437 . 0 0 "[ . 1 . 2]" 1
384 1 79 PHE HB2 1 95 ILE QG 1.800 . 5.000 2.236 1.927 2.498 . 0 0 "[ . 1 . 2]" 1
385 1 79 PHE QB 1 95 ILE H 1.800 . 5.000 4.009 3.779 4.461 . 0 0 "[ . 1 . 2]" 1
386 1 79 PHE QD 1 80 GLU H 1.800 . 5.000 3.614 3.330 3.888 . 0 0 "[ . 1 . 2]" 1
387 1 79 PHE QD 1 95 ILE MD 1.800 . 5.000 4.372 3.950 4.759 . 0 0 "[ . 1 . 2]" 1
388 1 79 PHE QD 1 96 SER HA 1.800 . 5.000 3.546 2.592 4.242 . 0 0 "[ . 1 . 2]" 1
389 1 79 PHE QD 1 97 LEU HA 1.800 . 5.000 3.645 3.245 4.261 . 0 0 "[ . 1 . 2]" 1
390 1 79 PHE QD 1 97 LEU QB 1.800 . 5.000 2.129 2.008 2.732 . 0 0 "[ . 1 . 2]" 1
391 1 79 PHE QD 1 97 LEU HG 1.800 . 5.000 5.017 5.004 5.032 0.032 11 0 "[ . 1 . 2]" 1
392 1 79 PHE QD 1 97 LEU H 1.800 . 5.000 2.543 2.188 2.913 . 0 0 "[ . 1 . 2]" 1
393 1 79 PHE QD 1 107 PHE QE 1.800 . 9.000 2.140 1.797 2.527 0.003 19 0 "[ . 1 . 2]" 1
394 1 79 PHE QE 1 97 LEU HA 1.800 . 5.000 4.466 3.954 4.813 . 0 0 "[ . 1 . 2]" 1
395 1 79 PHE QE 1 97 LEU H 1.800 . 5.000 3.425 2.672 4.205 . 0 0 "[ . 1 . 2]" 1
396 1 79 PHE H 1 95 ILE MD 1.800 . 5.000 4.883 4.376 5.006 0.006 4 0 "[ . 1 . 2]" 1
397 1 79 PHE H 1 95 ILE HG13 1.800 . 5.000 3.506 2.996 3.678 . 0 0 "[ . 1 . 2]" 1
398 1 79 PHE H 1 95 ILE HG12 1.800 . 5.000 4.420 4.117 4.708 . 0 0 "[ . 1 . 2]" 1
399 1 79 PHE H 1 95 ILE H 1.800 . 4.000 3.641 3.324 3.964 . 0 0 "[ . 1 . 2]" 1
400 1 79 PHE H 1 96 SER HA 1.800 . 4.000 3.024 2.350 3.593 . 0 0 "[ . 1 . 2]" 1
401 1 80 GLU HA 1 81 ALA H 1.800 . 3.500 2.178 2.122 2.307 . 0 0 "[ . 1 . 2]" 1
402 1 80 GLU HA 1 94 GLU HA 1.800 . 4.000 2.678 2.249 3.421 . 0 0 "[ . 1 . 2]" 1
403 1 80 GLU HA 1 95 ILE H 1.800 . 4.000 3.019 2.658 3.346 . 0 0 "[ . 1 . 2]" 1
404 1 80 GLU QB 1 93 MET H 1.800 . 5.000 4.691 3.948 5.001 0.001 2 0 "[ . 1 . 2]" 1
405 1 80 GLU QG 1 95 ILE H 1.800 . 5.000 4.179 3.594 4.802 . 0 0 "[ . 1 . 2]" 1
406 1 80 GLU H 1 95 ILE MD 1.800 . 5.000 4.471 3.849 5.008 0.008 8 0 "[ . 1 . 2]" 1
407 1 80 GLU H 1 95 ILE QG 1.800 . 5.000 4.100 3.582 4.474 . 0 0 "[ . 1 . 2]" 1
408 1 81 ALA HA 1 82 ARG H 1.800 . 2.900 2.135 2.102 2.168 . 0 0 "[ . 1 . 2]" 1
409 1 81 ALA MB 1 93 MET HB3 1.800 . 5.000 4.327 4.132 4.522 . 0 0 "[ . 1 . 2]" 1
410 1 81 ALA MB 1 93 MET HB2 1.800 . 5.000 4.206 4.003 4.462 . 0 0 "[ . 1 . 2]" 1
411 1 81 ALA MB 1 93 MET ME 1.800 . 5.000 3.621 2.409 4.006 . 0 0 "[ . 1 . 2]" 1
412 1 81 ALA MB 1 93 MET QG 1.800 . 5.000 1.897 1.795 2.060 0.005 17 0 "[ . 1 . 2]" 1
413 1 81 ALA MB 1 93 MET H 1.800 . 5.000 3.255 2.831 3.814 . 0 0 "[ . 1 . 2]" 1
414 1 81 ALA MB 1 95 ILE MD 1.800 . 5.000 1.905 1.795 2.125 0.005 19 0 "[ . 1 . 2]" 1
415 1 81 ALA MB 1 95 ILE MG 1.800 . 5.000 3.016 2.451 3.407 . 0 0 "[ . 1 . 2]" 1
416 1 81 ALA H 1 93 MET H 1.800 . 3.500 3.202 2.748 3.502 0.002 5 0 "[ . 1 . 2]" 1
417 1 81 ALA H 1 94 GLU HA 1.800 . 4.000 3.549 3.056 3.985 . 0 0 "[ . 1 . 2]" 1
418 1 81 ALA H 1 95 ILE MD 1.800 . 5.000 3.398 2.723 3.900 . 0 0 "[ . 1 . 2]" 1
419 1 81 ALA H 1 95 ILE QG 1.800 . 5.000 3.014 2.704 3.425 . 0 0 "[ . 1 . 2]" 1
420 1 81 ALA H 1 95 ILE MG 1.800 . 5.000 3.869 3.368 4.279 . 0 0 "[ . 1 . 2]" 1
421 1 82 ARG HA 1 83 LEU H 1.800 . 3.500 2.136 2.097 2.184 . 0 0 "[ . 1 . 2]" 1
422 1 82 ARG HA 1 92 ARG HA 1.800 . 5.000 2.661 2.308 3.105 . 0 0 "[ . 1 . 2]" 1
423 1 82 ARG HA 1 93 MET H 1.800 . 5.000 3.913 3.408 4.275 . 0 0 "[ . 1 . 2]" 1
424 1 82 ARG QD 1 90 LEU MD1 1.800 . 5.000 2.947 2.262 3.744 . 0 0 "[ . 1 . 2]" 1
425 1 82 ARG QD 1 90 LEU MD2 1.800 . 5.000 3.110 1.928 5.007 0.007 4 0 "[ . 1 . 2]" 1
426 1 83 LEU HA 1 84 TYR H 1.800 . 3.500 2.146 2.125 2.200 . 0 0 "[ . 1 . 2]" 1
427 1 83 LEU MD1 1 91 ILE MG 1.800 . 5.000 2.248 2.006 2.566 . 0 0 "[ . 1 . 2]" 1
428 1 83 LEU H 1 90 LEU MD1 1.800 . 5.000 3.415 2.898 4.493 . 0 0 "[ . 1 . 2]" 1
429 1 83 LEU H 1 91 ILE H 1.800 . 4.000 3.290 2.994 3.636 . 0 0 "[ . 1 . 2]" 1
430 1 83 LEU H 1 92 ARG HA 1.800 . 5.000 3.439 3.078 3.756 . 0 0 "[ . 1 . 2]" 1
431 1 84 TYR HA 1 85 LEU H 1.800 . 2.900 2.181 2.138 2.268 . 0 0 "[ . 1 . 2]" 1
432 1 84 TYR HA 1 86 GLY H 1.800 . 5.000 3.141 2.888 3.383 . 0 0 "[ . 1 . 2]" 1
433 1 84 TYR HA 1 90 LEU HA 1.800 . 4.000 3.009 2.790 3.249 . 0 0 "[ . 1 . 2]" 1
434 1 84 TYR HA 1 91 ILE H 1.800 . 5.000 3.803 3.520 3.957 . 0 0 "[ . 1 . 2]" 1
435 1 84 TYR QD 1 90 LEU HA 1.800 . 5.000 4.762 4.307 5.004 0.004 18 0 "[ . 1 . 2]" 1
436 1 84 TYR QD 1 90 LEU MD1 1.800 . 5.000 2.931 2.633 3.303 . 0 0 "[ . 1 . 2]" 1
437 1 84 TYR QE 1 90 LEU MD1 1.800 . 5.000 2.994 2.410 3.243 . 0 0 "[ . 1 . 2]" 1
438 1 84 TYR QE 1 90 LEU MD2 1.800 . 5.000 3.952 3.443 4.814 . 0 0 "[ . 1 . 2]" 1
439 1 85 LEU HA 1 86 GLY H 1.800 . 4.000 3.329 3.200 3.457 . 0 0 "[ . 1 . 2]" 1
440 1 85 LEU HA 1 89 VAL MG1 1.800 . 5.000 4.583 4.325 4.944 . 0 0 "[ . 1 . 2]" 1
441 1 85 LEU HB3 1 89 VAL MG1 1.800 . 5.000 2.630 1.936 3.305 . 0 0 "[ . 1 . 2]" 1
442 1 85 LEU HB2 1 89 VAL MG1 1.800 . 5.000 2.378 1.893 3.207 . 0 0 "[ . 1 . 2]" 1
443 1 85 LEU QB 1 89 VAL MG2 1.800 . 5.000 3.514 3.101 3.827 . 0 0 "[ . 1 . 2]" 1
444 1 85 LEU QB 1 89 VAL H 1.800 . 5.000 4.734 4.311 5.000 . 0 0 "[ . 1 . 2]" 1
445 1 85 LEU QB 1 91 ILE H 1.800 . 5.000 4.555 4.005 5.003 0.003 6 0 "[ . 1 . 2]" 1
446 1 85 LEU QD 1 89 VAL MG1 1.800 . 5.000 2.596 1.866 3.401 . 0 0 "[ . 1 . 2]" 1
447 1 85 LEU QD 1 91 ILE MD 1.800 . 5.000 2.161 1.798 2.789 0.002 8 0 "[ . 1 . 2]" 1
448 1 85 LEU QD 1 91 ILE H 1.800 . 5.000 3.965 3.147 5.009 0.009 10 0 "[ . 1 . 2]" 1
449 1 85 LEU HG 1 89 VAL MG1 1.800 . 5.000 3.351 2.745 4.177 . 0 0 "[ . 1 . 2]" 1
450 1 85 LEU H 1 89 VAL HB 1.800 . 5.000 3.549 3.313 3.885 . 0 0 "[ . 1 . 2]" 1
451 1 85 LEU H 1 89 VAL MG1 1.800 . 5.000 3.472 3.259 3.759 . 0 0 "[ . 1 . 2]" 1
452 1 85 LEU H 1 89 VAL H 1.800 . 5.000 4.984 4.829 5.006 0.006 20 0 "[ . 1 . 2]" 1
453 1 85 LEU H 1 90 LEU HA 1.800 . 5.000 3.229 2.849 3.651 . 0 0 "[ . 1 . 2]" 1
454 1 85 LEU H 1 90 LEU MD1 1.800 . 5.000 3.985 3.263 5.003 0.003 14 0 "[ . 1 . 2]" 1
455 1 86 GLY QA 1 89 VAL H 1.800 . 5.000 2.945 2.731 3.218 . 0 0 "[ . 1 . 2]" 1
456 1 86 GLY H 1 89 VAL HB 1.800 . 5.000 2.979 2.328 3.634 . 0 0 "[ . 1 . 2]" 1
457 1 86 GLY H 1 89 VAL MG1 1.800 . 5.000 4.006 3.427 4.573 . 0 0 "[ . 1 . 2]" 1
458 1 86 GLY H 1 89 VAL H 1.800 . 5.000 3.772 3.327 4.156 . 0 0 "[ . 1 . 2]" 1
459 1 87 LEU HA 1 88 ASP H 1.800 . 4.000 3.491 3.377 3.548 . 0 0 "[ . 1 . 2]" 1
460 1 87 LEU HA 1 89 VAL H 1.800 . 5.000 4.420 3.978 5.000 . 0 0 "[ . 1 . 2]" 1
461 1 88 ASP HA 1 89 VAL H 1.800 . 4.000 3.413 3.178 3.556 . 0 0 "[ . 1 . 2]" 1
462 1 89 VAL HA 1 90 LEU H 1.800 . 2.900 2.217 2.153 2.277 . 0 0 "[ . 1 . 2]" 1
463 1 89 VAL MG1 1 91 ILE H 1.800 . 5.000 4.184 3.687 4.836 . 0 0 "[ . 1 . 2]" 1
464 1 89 VAL MG1 1 119 HIS QB 1.800 . 5.000 2.790 1.950 3.445 . 0 0 "[ . 1 . 2]" 1
465 1 89 VAL MG1 1 119 HIS HD2 1.800 . 5.000 3.961 3.462 4.890 . 0 0 "[ . 1 . 2]" 1
466 1 90 LEU HA 1 91 ILE H 1.800 . 2.900 2.144 2.123 2.175 . 0 0 "[ . 1 . 2]" 1
467 1 91 ILE HA 1 92 ARG H 1.800 . 2.900 2.178 2.134 2.240 . 0 0 "[ . 1 . 2]" 1
468 1 91 ILE HA 1 119 HIS HD2 1.800 . 5.000 3.633 2.265 4.793 . 0 0 "[ . 1 . 2]" 1
469 1 91 ILE MD 1 119 HIS HB3 1.800 . 5.000 2.816 2.318 3.931 . 0 0 "[ . 1 . 2]" 1
470 1 91 ILE MD 1 119 HIS HB2 1.800 . 5.000 3.026 1.794 3.658 0.006 19 0 "[ . 1 . 2]" 1
471 1 91 ILE MD 1 119 HIS HD2 1.800 . 5.000 4.503 2.917 5.002 0.002 2 0 "[ . 1 . 2]" 1
472 1 91 ILE QG 1 119 HIS HB3 1.800 . 5.000 2.907 2.092 4.116 . 0 0 "[ . 1 . 2]" 1
473 1 91 ILE QG 1 119 HIS HB2 1.800 . 5.000 2.440 2.007 3.724 . 0 0 "[ . 1 . 2]" 1
474 1 91 ILE QG 1 119 HIS HD2 1.800 . 5.000 3.329 2.737 5.004 0.004 19 0 "[ . 1 . 2]" 1
475 1 91 ILE QG 1 120 LEU H 1.800 . 5.000 3.854 3.322 4.842 . 0 0 "[ . 1 . 2]" 1
476 1 91 ILE MG 1 93 MET QB 1.800 . 5.000 3.555 3.047 4.208 . 0 0 "[ . 1 . 2]" 1
477 1 91 ILE MG 1 93 MET ME 1.800 . 5.000 4.090 2.519 5.005 0.005 7 0 "[ . 1 . 2]" 1
478 1 91 ILE MG 1 93 MET QG 1.800 . 5.000 3.624 2.846 4.850 . 0 0 "[ . 1 . 2]" 1
479 1 91 ILE MG 1 116 SER HA 1.800 . 5.000 2.963 2.402 3.829 . 0 0 "[ . 1 . 2]" 1
480 1 91 ILE MG 1 116 SER HB3 1.800 . 5.000 2.809 1.795 4.006 0.005 16 0 "[ . 1 . 2]" 1
481 1 91 ILE MG 1 116 SER HB2 1.800 . 5.000 3.302 1.798 3.862 0.002 7 0 "[ . 1 . 2]" 1
482 1 91 ILE MG 1 116 SER H 1.800 . 5.000 4.882 4.557 5.017 0.017 6 0 "[ . 1 . 2]" 1
483 1 91 ILE MG 1 119 HIS QB 1.800 . 5.000 3.603 2.707 4.754 . 0 0 "[ . 1 . 2]" 1
484 1 91 ILE MG 1 120 LEU H 1.800 . 5.000 4.020 3.055 4.799 . 0 0 "[ . 1 . 2]" 1
485 1 92 ARG HA 1 93 MET H 1.800 . 2.900 2.178 2.098 2.260 . 0 0 "[ . 1 . 2]" 1
486 1 92 ARG H 1 116 SER QB 1.800 . 5.000 2.877 2.277 3.780 . 0 0 "[ . 1 . 2]" 1
487 1 93 MET HA 1 94 GLU H 1.800 . 2.900 2.160 2.090 2.349 . 0 0 "[ . 1 . 2]" 1
488 1 93 MET HA 1 112 ILE HA 1.800 . 5.000 2.768 2.298 3.669 . 0 0 "[ . 1 . 2]" 1
489 1 93 MET HA 1 113 ASP H 1.800 . 4.000 3.471 2.864 4.013 0.013 20 0 "[ . 1 . 2]" 1
490 1 93 MET HB3 1 95 ILE MG 1.800 . 5.000 4.295 3.684 4.731 . 0 0 "[ . 1 . 2]" 1
491 1 93 MET HB2 1 95 ILE MG 1.800 . 5.000 3.025 2.236 3.806 . 0 0 "[ . 1 . 2]" 1
492 1 93 MET QB 1 111 HIS H 1.800 . 5.000 4.627 4.212 5.002 0.002 6 0 "[ . 1 . 2]" 1
493 1 93 MET ME 1 95 ILE MG 1.800 . 5.000 2.559 1.873 3.903 . 0 0 "[ . 1 . 2]" 1
494 1 93 MET ME 1 109 CYS HA 1.800 . 5.000 3.903 3.078 5.006 0.006 13 0 "[ . 1 . 2]" 1
495 1 93 MET ME 1 109 CYS HB3 1.800 . 5.000 3.311 2.215 4.865 . 0 0 "[ . 1 . 2]" 1
496 1 93 MET ME 1 109 CYS HB2 1.800 . 5.000 3.742 2.356 4.861 . 0 0 "[ . 1 . 2]" 1
497 1 93 MET ME 1 112 ILE MD 1.800 . 5.000 3.079 2.089 5.000 0.000 18 0 "[ . 1 . 2]" 1
498 1 93 MET ME 1 112 ILE MG 1.800 . 5.000 3.085 2.153 4.128 . 0 0 "[ . 1 . 2]" 1
499 1 93 MET ME 1 120 LEU QD 1.800 . 5.000 4.014 2.665 5.005 0.005 14 0 "[ . 1 . 2]" 1
500 1 93 MET QG 1 95 ILE QG 1.800 . 5.000 3.669 3.215 4.188 . 0 0 "[ . 1 . 2]" 1
501 1 93 MET H 1 95 ILE MG 1.800 . 5.000 4.765 4.250 5.007 0.007 6 0 "[ . 1 . 2]" 1
502 1 94 GLU HA 1 95 ILE H 1.800 . 3.500 2.159 2.101 2.215 . 0 0 "[ . 1 . 2]" 1
503 1 94 GLU HA 1 111 HIS H 1.800 . 5.000 4.687 4.435 4.824 . 0 0 "[ . 1 . 2]" 1
504 1 94 GLU QB 1 111 HIS QB 1.800 . 5.000 1.934 1.781 2.800 0.019 8 0 "[ . 1 . 2]" 1
505 1 94 GLU QB 1 111 HIS HD2 1.800 . 5.000 3.843 2.833 5.002 0.002 15 0 "[ . 1 . 2]" 1
506 1 94 GLU QB 1 111 HIS H 1.800 . 5.000 2.612 2.123 3.274 . 0 0 "[ . 1 . 2]" 1
507 1 94 GLU QG 1 111 HIS QB 1.800 . 5.000 3.274 2.305 3.813 . 0 0 "[ . 1 . 2]" 1
508 1 94 GLU H 1 95 ILE MG 1.800 . 5.000 4.076 3.836 4.425 . 0 0 "[ . 1 . 2]" 1
509 1 94 GLU H 1 110 GLN QB 1.800 . 5.000 4.844 4.594 5.010 0.010 8 0 "[ . 1 . 2]" 1
510 1 94 GLU H 1 110 GLN H 1.800 . 5.000 4.769 4.378 5.002 0.002 15 0 "[ . 1 . 2]" 1
511 1 94 GLU H 1 111 HIS HB3 1.800 . 5.000 3.303 2.965 3.493 . 0 0 "[ . 1 . 2]" 1
512 1 94 GLU H 1 111 HIS HB2 1.800 . 5.000 4.920 4.646 5.014 0.014 2 0 "[ . 1 . 2]" 1
513 1 94 GLU H 1 111 HIS HD2 1.800 . 5.000 3.927 3.122 5.012 0.012 15 0 "[ . 1 . 2]" 1
514 1 94 GLU H 1 111 HIS H 1.800 . 4.000 3.388 3.179 3.690 . 0 0 "[ . 1 . 2]" 1
515 1 94 GLU H 1 112 ILE HA 1.800 . 4.000 3.519 3.250 3.961 . 0 0 "[ . 1 . 2]" 1
516 1 94 GLU H 1 112 ILE QG 1.800 . 5.000 4.230 3.671 4.969 . 0 0 "[ . 1 . 2]" 1
517 1 94 GLU H 1 112 ILE MG 1.800 . 5.000 4.834 4.616 5.010 0.010 17 0 "[ . 1 . 2]" 1
518 1 95 ILE HA 1 96 SER H 1.800 . 2.900 2.313 2.159 2.506 . 0 0 "[ . 1 . 2]" 1
519 1 95 ILE HA 1 109 CYS HA 1.800 . 4.000 2.690 2.135 3.014 . 0 0 "[ . 1 . 2]" 1
520 1 95 ILE HA 1 110 GLN H 1.800 . 5.000 2.327 1.956 2.714 . 0 0 "[ . 1 . 2]" 1
521 1 95 ILE HA 1 111 HIS H 1.800 . 5.000 4.004 3.394 4.489 . 0 0 "[ . 1 . 2]" 1
522 1 95 ILE HB 1 107 PHE QD 1.800 . 5.000 3.258 2.859 3.633 . 0 0 "[ . 1 . 2]" 1
523 1 95 ILE MD 1 107 PHE HB3 1.800 . 5.000 2.427 2.126 2.688 . 0 0 "[ . 1 . 2]" 1
524 1 95 ILE MD 1 107 PHE HB2 1.800 . 5.000 2.390 2.061 2.897 . 0 0 "[ . 1 . 2]" 1
525 1 95 ILE MD 1 107 PHE QD 1.800 . 5.000 2.743 2.609 2.915 . 0 0 "[ . 1 . 2]" 1
526 1 95 ILE MD 1 107 PHE QE 1.800 . 5.000 3.589 3.282 3.861 . 0 0 "[ . 1 . 2]" 1
527 1 95 ILE QG 1 107 PHE QD 1.800 . 5.000 2.977 2.635 3.357 . 0 0 "[ . 1 . 2]" 1
528 1 95 ILE MG 1 107 PHE QB 1.800 . 5.000 2.754 2.526 3.118 . 0 0 "[ . 1 . 2]" 1
529 1 95 ILE MG 1 107 PHE QD 1.800 . 5.000 4.217 3.955 4.518 . 0 0 "[ . 1 . 2]" 1
530 1 95 ILE MG 1 109 CYS HA 1.800 . 5.000 1.893 1.793 2.420 0.007 1 0 "[ . 1 . 2]" 1
531 1 95 ILE MG 1 109 CYS QB 1.800 . 5.000 3.118 2.559 3.540 . 0 0 "[ . 1 . 2]" 1
532 1 95 ILE MG 1 109 CYS H 1.800 . 5.000 3.880 3.542 4.304 . 0 0 "[ . 1 . 2]" 1
533 1 95 ILE MG 1 110 GLN H 1.800 . 5.000 3.109 2.762 3.742 . 0 0 "[ . 1 . 2]" 1
534 1 95 ILE MG 1 111 HIS H 1.800 . 5.000 4.324 3.893 4.771 . 0 0 "[ . 1 . 2]" 1
535 1 96 SER HA 1 97 LEU H 1.800 . 3.500 2.215 2.147 2.449 . 0 0 "[ . 1 . 2]" 1
536 1 96 SER HA 1 107 PHE QD 1.800 . 5.000 3.780 3.281 4.142 . 0 0 "[ . 1 . 2]" 1
537 1 96 SER QB 1 108 GLU H 1.800 . 5.000 3.997 3.324 4.797 . 0 0 "[ . 1 . 2]" 1
538 1 96 SER H 1 107 PHE HB3 1.800 . 5.000 3.370 2.859 3.565 . 0 0 "[ . 1 . 2]" 1
539 1 96 SER H 1 107 PHE HB2 1.800 . 5.000 4.924 4.468 5.008 0.008 15 0 "[ . 1 . 2]" 1
540 1 96 SER H 1 107 PHE QD 1.800 . 5.000 4.161 3.603 4.543 . 0 0 "[ . 1 . 2]" 1
541 1 96 SER H 1 108 GLU QB 1.800 . 5.000 3.463 2.935 4.360 . 0 0 "[ . 1 . 2]" 1
542 1 96 SER H 1 108 GLU H 1.800 . 3.500 3.113 2.817 3.464 . 0 0 "[ . 1 . 2]" 1
543 1 96 SER H 1 109 CYS HA 1.800 . 4.000 3.916 3.334 4.009 0.009 5 0 "[ . 1 . 2]" 1
544 1 96 SER H 1 110 GLN HE22 1.800 . 5.000 4.876 2.921 5.016 0.016 6 0 "[ . 1 . 2]" 1
545 1 96 SER H 1 110 GLN QG 1.800 . 5.000 3.630 2.609 5.010 0.010 20 0 "[ . 1 . 2]" 1
546 1 97 LEU HA 1 98 ALA H 1.800 . 3.500 2.141 2.123 2.171 . 0 0 "[ . 1 . 2]" 1
547 1 97 LEU HA 1 99 TRP H 1.800 . 5.000 3.833 3.075 4.249 . 0 0 "[ . 1 . 2]" 1
548 1 97 LEU HA 1 107 PHE HA 1.800 . 4.000 2.437 2.118 3.009 . 0 0 "[ . 1 . 2]" 1
549 1 97 LEU HA 1 107 PHE QD 1.800 . 5.000 2.503 2.186 3.110 . 0 0 "[ . 1 . 2]" 1
550 1 97 LEU HA 1 108 GLU H 1.800 . 4.000 3.624 3.268 3.894 . 0 0 "[ . 1 . 2]" 1
551 1 97 LEU MD1 1 99 TRP H 1.800 . 5.000 2.880 1.993 3.257 . 0 0 "[ . 1 . 2]" 1
552 1 97 LEU MD1 1 100 ALA MB 1.800 . 5.000 2.617 1.877 3.627 . 0 0 "[ . 1 . 2]" 1
553 1 97 LEU MD1 1 100 ALA H 1.800 . 5.000 4.354 3.758 5.008 0.008 4 0 "[ . 1 . 2]" 1
554 1 97 LEU MD1 1 105 LEU QB 1.800 . 5.000 2.501 1.833 3.986 . 0 0 "[ . 1 . 2]" 1
555 1 97 LEU MD1 1 105 LEU MD1 1.800 . 5.000 3.923 2.683 4.718 . 0 0 "[ . 1 . 2]" 1
556 1 97 LEU MD1 1 106 GLY H 1.800 . 5.000 3.248 2.612 4.102 . 0 0 "[ . 1 . 2]" 1
557 1 97 LEU MD1 1 107 PHE HA 1.800 . 5.000 3.277 2.949 4.140 . 0 0 "[ . 1 . 2]" 1
558 1 97 LEU MD1 1 108 GLU H 1.800 . 5.000 4.892 4.587 5.021 0.021 18 0 "[ . 1 . 2]" 1
559 1 97 LEU MD2 1 99 TRP H 1.800 . 5.000 4.555 2.828 5.007 0.007 13 0 "[ . 1 . 2]" 1
560 1 97 LEU MD2 1 100 ALA MB 1.800 . 5.000 2.605 2.183 3.464 . 0 0 "[ . 1 . 2]" 1
561 1 97 LEU MD2 1 100 ALA H 1.800 . 5.000 4.784 4.139 5.019 0.019 5 0 "[ . 1 . 2]" 1
562 1 97 LEU MD2 1 105 LEU MD2 1.800 . 5.000 2.888 2.127 3.677 . 0 0 "[ . 1 . 2]" 1
563 1 97 LEU H 1 107 PHE QD 1.800 . 5.000 3.224 2.962 3.650 . 0 0 "[ . 1 . 2]" 1
564 1 98 ALA HA 1 99 TRP H 1.800 . 4.000 3.470 3.096 3.577 . 0 0 "[ . 1 . 2]" 1
565 1 98 ALA MB 1 138 LEU MD2 1.800 . 5.000 2.638 2.273 3.651 . 0 0 "[ . 1 . 2]" 1
566 1 98 ALA MB 1 99 TRP HD1 1.800 . 5.000 2.918 2.087 4.848 . 0 0 "[ . 1 . 2]" 1
567 1 98 ALA MB 1 108 GLU HB3 1.800 . 5.000 3.410 2.623 4.543 . 0 0 "[ . 1 . 2]" 1
568 1 98 ALA MB 1 108 GLU HB2 1.800 . 5.000 2.698 2.044 4.289 . 0 0 "[ . 1 . 2]" 1
569 1 98 ALA MB 1 108 GLU QG 1.800 . 5.000 3.510 1.790 4.406 0.010 12 0 "[ . 1 . 2]" 1
570 1 98 ALA MB 1 108 GLU H 1.800 . 5.000 3.003 2.717 3.733 . 0 0 "[ . 1 . 2]" 1
571 1 98 ALA H 1 138 LEU MD2 1.800 . 5.000 4.130 3.801 4.625 . 0 0 "[ . 1 . 2]" 1
572 1 98 ALA H 1 99 TRP H 1.800 . 2.500 2.260 1.857 2.500 . 0 0 "[ . 1 . 2]" 1
573 1 98 ALA H 1 107 PHE HA 1.800 . 4.000 2.340 1.987 2.865 . 0 0 "[ . 1 . 2]" 1
574 1 98 ALA H 1 107 PHE QD 1.800 . 5.000 4.234 3.763 4.927 . 0 0 "[ . 1 . 2]" 1
575 1 99 TRP HA 1 100 ALA H 1.800 . 2.900 2.188 2.035 2.302 . 0 0 "[ . 1 . 2]" 1
576 1 99 TRP HB3 1 100 ALA H 1.800 . 4.000 3.770 3.258 4.002 0.002 19 0 "[ . 1 . 2]" 1
577 1 99 TRP HB2 1 100 ALA H 1.800 . 4.000 3.212 2.526 4.078 0.078 18 0 "[ . 1 . 2]" 1
578 1 99 TRP QB 1 101 ARG H 1.800 . 5.000 4.845 4.392 5.010 0.010 5 0 "[ . 1 . 2]" 1
579 1 99 TRP HD1 1 138 LEU MD1 1.800 . 5.000 4.661 3.508 5.002 0.002 14 0 "[ . 1 . 2]" 1
580 1 99 TRP HE1 1 138 LEU MD1 1.800 . 5.000 3.606 3.035 4.716 . 0 0 "[ . 1 . 2]" 1
581 1 99 TRP HE1 1 138 LEU MD2 1.800 . 5.000 2.942 2.021 4.532 . 0 0 "[ . 1 . 2]" 1
582 1 99 TRP HE1 1 138 LEU HG 1.800 . 5.000 2.496 1.801 3.794 . 0 0 "[ . 1 . 2]" 1
583 1 99 TRP HE1 1 139 ALA HA 1.800 . 5.000 3.796 2.821 4.463 . 0 0 "[ . 1 . 2]" 1
584 1 99 TRP HE1 1 139 ALA H 1.800 . 5.000 4.948 4.665 5.010 0.010 19 0 "[ . 1 . 2]" 1
585 1 99 TRP HE3 1 100 ALA HA 1.800 . 5.000 3.378 2.901 3.639 . 0 0 "[ . 1 . 2]" 1
586 1 99 TRP HE3 1 100 ALA H 1.800 . 5.000 3.645 3.271 3.969 . 0 0 "[ . 1 . 2]" 1
587 1 99 TRP HE3 1 101 ARG HB3 1.800 . 5.000 3.690 2.451 5.013 0.013 2 0 "[ . 1 . 2]" 1
588 1 99 TRP HE3 1 101 ARG HB2 1.800 . 5.000 3.134 2.125 4.858 . 0 0 "[ . 1 . 2]" 1
589 1 99 TRP HE3 1 101 ARG QG 1.800 . 5.000 4.375 1.889 5.027 0.027 11 0 "[ . 1 . 2]" 1
590 1 99 TRP HE3 1 101 ARG H 1.800 . 5.000 3.104 2.497 3.527 . 0 0 "[ . 1 . 2]" 1
591 1 99 TRP HE3 1 106 GLY H 1.800 . 5.000 3.487 2.263 4.119 . 0 0 "[ . 1 . 2]" 1
592 1 99 TRP H 1 138 LEU MD2 1.800 . 5.000 4.060 3.595 4.286 . 0 0 "[ . 1 . 2]" 1
593 1 99 TRP H 1 106 GLY QA 1.800 . 5.000 3.801 3.470 4.206 . 0 0 "[ . 1 . 2]" 1
594 1 99 TRP H 1 106 GLY H 1.800 . 4.000 3.420 3.179 3.817 . 0 0 "[ . 1 . 2]" 1
595 1 99 TRP H 1 107 PHE HA 1.800 . 5.000 3.950 3.569 4.271 . 0 0 "[ . 1 . 2]" 1
596 1 99 TRP HZ2 1 138 LEU MD1 1.800 . 5.000 3.862 2.919 5.009 0.009 5 0 "[ . 1 . 2]" 1
597 1 99 TRP HZ3 1 100 ALA HA 1.800 . 5.000 4.636 4.120 5.013 0.013 11 0 "[ . 1 . 2]" 1
598 1 100 ALA HA 1 101 ARG H 1.800 . 2.900 2.154 2.094 2.198 . 0 0 "[ . 1 . 2]" 1
599 1 100 ALA HA 1 105 LEU HA 1.800 . 5.000 2.357 2.074 2.676 . 0 0 "[ . 1 . 2]" 1
600 1 100 ALA HA 1 105 LEU MD2 1.800 . 5.000 2.992 2.184 3.649 . 0 0 "[ . 1 . 2]" 1
601 1 100 ALA HA 1 106 GLY H 1.800 . 4.000 3.261 3.007 3.480 . 0 0 "[ . 1 . 2]" 1
602 1 100 ALA MB 1 105 LEU HA 1.800 . 5.000 3.492 2.925 4.151 . 0 0 "[ . 1 . 2]" 1
603 1 100 ALA MB 1 105 LEU MD2 1.800 . 5.000 2.281 1.897 2.966 . 0 0 "[ . 1 . 2]" 1
604 1 100 ALA H 1 101 ARG QB 1.800 . 5.000 4.371 3.859 5.011 0.011 14 0 "[ . 1 . 2]" 1
605 1 100 ALA H 1 105 LEU MD2 1.800 . 5.000 4.924 4.661 5.010 0.010 19 0 "[ . 1 . 2]" 1
606 1 101 ARG H 1 105 LEU HA 1.800 . 5.000 3.302 2.703 3.847 . 0 0 "[ . 1 . 2]" 1
607 1 101 ARG H 1 105 LEU MD2 1.800 . 5.000 4.070 2.674 5.006 0.006 3 0 "[ . 1 . 2]" 1
608 1 102 ASP HA 1 104 LEU H 1.800 . 5.000 4.767 4.325 4.976 . 0 0 "[ . 1 . 2]" 1
609 1 102 ASP HB3 1 104 LEU H 1.800 . 5.000 3.746 2.892 5.007 0.007 7 0 "[ . 1 . 2]" 1
610 1 102 ASP HB2 1 104 LEU H 1.800 . 5.000 4.323 3.236 5.003 0.003 16 0 "[ . 1 . 2]" 1
611 1 103 GLY HA3 1 104 LEU H 1.800 . 4.000 3.166 2.792 3.492 . 0 0 "[ . 1 . 2]" 1
612 1 103 GLY HA2 1 104 LEU H 1.800 . 4.000 3.329 2.874 3.529 . 0 0 "[ . 1 . 2]" 1
613 1 104 LEU HA 1 105 LEU H 1.800 . 2.900 2.140 2.077 2.208 . 0 0 "[ . 1 . 2]" 1
614 1 104 LEU MD1 1 143 SER HB3 1.800 . 5.000 3.351 2.423 4.683 . 0 0 "[ . 1 . 2]" 1
615 1 104 LEU MD1 1 143 SER HB2 1.800 . 5.000 3.481 1.799 5.000 0.001 12 0 "[ . 1 . 2]" 1
616 1 104 LEU MD2 1 143 SER HA 1.800 . 5.000 4.432 3.787 5.005 0.005 7 0 "[ . 1 . 2]" 1
617 1 104 LEU MD2 1 143 SER HB3 1.800 . 5.000 3.049 2.343 3.993 . 0 0 "[ . 1 . 2]" 1
618 1 104 LEU MD2 1 143 SER HB2 1.800 . 5.000 3.267 2.142 4.490 . 0 0 "[ . 1 . 2]" 1
619 1 104 LEU MD2 1 143 SER H 1.800 . 5.000 4.396 3.548 5.002 0.002 20 0 "[ . 1 . 2]" 1
620 1 105 LEU HA 1 106 GLY H 1.800 . 3.500 2.135 2.092 2.209 . 0 0 "[ . 1 . 2]" 1
621 1 105 LEU HB3 1 107 PHE QE 1.800 . 5.000 3.021 2.258 4.031 . 0 0 "[ . 1 . 2]" 1
622 1 105 LEU HB2 1 107 PHE QE 1.800 . 5.000 2.614 2.173 3.396 . 0 0 "[ . 1 . 2]" 1
623 1 105 LEU MD1 1 107 PHE QE 1.800 . 5.000 3.639 2.843 4.531 . 0 0 "[ . 1 . 2]" 1
624 1 106 GLY HA3 1 107 PHE H 1.800 . 3.500 3.222 2.992 3.351 . 0 0 "[ . 1 . 2]" 1
625 1 106 GLY HA2 1 107 PHE H 1.800 . 3.500 2.136 2.112 2.188 . 0 0 "[ . 1 . 2]" 1
626 1 106 GLY QA 1 138 LEU MD2 1.800 . 5.000 2.863 2.258 3.200 . 0 0 "[ . 1 . 2]" 1
627 1 106 GLY H 1 138 LEU MD2 1.800 . 5.000 4.723 3.933 5.005 0.005 20 0 "[ . 1 . 2]" 1
628 1 107 PHE HA 1 108 GLU H 1.800 . 3.500 2.194 2.121 2.278 . 0 0 "[ . 1 . 2]" 1
629 1 107 PHE QD 1 108 GLU H 1.800 . 5.000 4.133 3.809 4.413 . 0 0 "[ . 1 . 2]" 1
630 1 107 PHE H 1 138 LEU MD1 1.800 . 5.000 3.213 2.616 3.904 . 0 0 "[ . 1 . 2]" 1
631 1 107 PHE H 1 138 LEU MD2 1.800 . 5.000 3.722 3.285 4.680 . 0 0 "[ . 1 . 2]" 1
632 1 108 GLU HA 1 138 LEU MD2 1.800 . 5.000 3.026 2.261 3.691 . 0 0 "[ . 1 . 2]" 1
633 1 108 GLU HA 1 109 CYS H 1.800 . 2.900 2.203 2.134 2.314 . 0 0 "[ . 1 . 2]" 1
634 1 108 GLU QG 1 138 LEU MD2 1.800 . 5.000 3.521 2.095 4.766 . 0 0 "[ . 1 . 2]" 1
635 1 109 CYS HA 1 110 GLN H 1.800 . 3.500 2.143 2.107 2.176 . 0 0 "[ . 1 . 2]" 1
636 1 110 GLN HA 1 111 HIS H 1.800 . 4.000 3.545 3.490 3.574 . 0 0 "[ . 1 . 2]" 1
637 1 110 GLN H 1 111 HIS H 1.800 . 2.900 2.361 1.963 2.620 . 0 0 "[ . 1 . 2]" 1
638 1 111 HIS HA 1 112 ILE H 1.800 . 2.900 2.177 2.115 2.248 . 0 0 "[ . 1 . 2]" 1
639 1 111 HIS HD2 1 112 ILE HA 1.800 . 5.000 4.115 3.194 4.921 . 0 0 "[ . 1 . 2]" 1
640 1 112 ILE HA 1 113 ASP H 1.800 . 3.500 2.161 2.113 2.192 . 0 0 "[ . 1 . 2]" 1
641 1 112 ILE MG 1 116 SER HA 1.800 . 5.000 4.790 4.420 5.009 0.009 11 0 "[ . 1 . 2]" 1
642 1 112 ILE MG 1 116 SER H 1.800 . 5.000 4.411 4.121 4.779 . 0 0 "[ . 1 . 2]" 1
643 1 113 ASP HA 1 114 LEU H 1.800 . 3.500 2.272 2.159 2.486 . 0 0 "[ . 1 . 2]" 1
644 1 113 ASP QB 1 115 ASP H 1.800 . 5.000 3.280 2.552 4.035 . 0 0 "[ . 1 . 2]" 1
645 1 113 ASP QB 1 116 SER H 1.800 . 5.000 2.681 2.175 3.940 . 0 0 "[ . 1 . 2]" 1
646 1 113 ASP H 1 116 SER QB 1.800 . 5.000 2.925 2.533 4.119 . 0 0 "[ . 1 . 2]" 1
647 1 114 LEU HA 1 116 SER H 1.800 . 5.000 4.389 4.211 4.577 . 0 0 "[ . 1 . 2]" 1
648 1 114 LEU HA 1 117 ILE HB 1.800 . 5.000 2.699 2.245 3.264 . 0 0 "[ . 1 . 2]" 1
649 1 114 LEU HA 1 117 ILE MG 1.800 . 5.000 4.020 3.600 4.503 . 0 0 "[ . 1 . 2]" 1
650 1 114 LEU HA 1 117 ILE H 1.800 . 5.000 3.340 3.150 3.693 . 0 0 "[ . 1 . 2]" 1
651 1 114 LEU HA 1 118 SER H 1.800 . 5.000 4.062 3.827 4.434 . 0 0 "[ . 1 . 2]" 1
652 1 114 LEU QB 1 116 SER H 1.800 . 5.000 4.733 4.333 5.015 0.015 20 0 "[ . 1 . 2]" 1
653 1 114 LEU QB 1 118 SER QB 1.800 . 5.000 4.791 4.078 5.009 0.009 1 0 "[ . 1 . 2]" 1
654 1 114 LEU QB 1 118 SER H 1.800 . 5.000 4.718 4.540 5.007 0.007 10 0 "[ . 1 . 2]" 1
655 1 114 LEU H 1 117 ILE MD 1.800 . 5.000 4.229 3.812 5.011 0.011 15 0 "[ . 1 . 2]" 1
656 1 115 ASP HA 1 118 SER QB 1.800 . 5.000 2.800 2.291 3.727 . 0 0 "[ . 1 . 2]" 1
657 1 115 ASP HA 1 118 SER H 1.800 . 5.000 3.383 3.185 3.601 . 0 0 "[ . 1 . 2]" 1
658 1 115 ASP HA 1 119 HIS H 1.800 . 5.000 4.149 3.709 4.380 . 0 0 "[ . 1 . 2]" 1
659 1 115 ASP QB 1 118 SER H 1.800 . 5.000 4.957 4.820 5.012 0.012 3 0 "[ . 1 . 2]" 1
660 1 116 SER HA 1 117 ILE H 1.800 . 4.000 3.549 3.489 3.577 . 0 0 "[ . 1 . 2]" 1
661 1 116 SER HA 1 118 SER H 1.800 . 5.000 4.437 4.128 4.676 . 0 0 "[ . 1 . 2]" 1
662 1 116 SER HA 1 119 HIS HD2 1.800 . 5.000 2.563 1.889 4.007 . 0 0 "[ . 1 . 2]" 1
663 1 116 SER HA 1 119 HIS H 1.800 . 5.000 3.485 2.973 3.776 . 0 0 "[ . 1 . 2]" 1
664 1 116 SER HA 1 120 LEU H 1.800 . 5.000 4.074 3.636 4.403 . 0 0 "[ . 1 . 2]" 1
665 1 116 SER H 1 117 ILE QG 1.800 . 5.000 4.198 3.851 4.430 . 0 0 "[ . 1 . 2]" 1
666 1 116 SER H 1 118 SER H 1.800 . 5.000 4.122 3.974 4.292 . 0 0 "[ . 1 . 2]" 1
667 1 117 ILE HA 1 118 SER H 1.800 . 4.000 3.543 3.520 3.569 . 0 0 "[ . 1 . 2]" 1
668 1 117 ILE HA 1 120 LEU QD 1.800 . 5.000 3.665 3.125 4.623 . 0 0 "[ . 1 . 2]" 1
669 1 117 ILE HA 1 120 LEU H 1.800 . 5.000 3.575 3.334 3.943 . 0 0 "[ . 1 . 2]" 1
670 1 117 ILE HA 1 121 ARG H 1.800 . 5.000 3.852 3.509 4.135 . 0 0 "[ . 1 . 2]" 1
671 1 117 ILE MG 1 118 SER HA 1.800 . 5.000 3.382 3.188 3.529 . 0 0 "[ . 1 . 2]" 1
672 1 117 ILE MG 1 121 ARG HD3 1.800 . 5.000 4.433 3.429 5.003 0.003 16 0 "[ . 1 . 2]" 1
673 1 117 ILE MG 1 121 ARG HD2 1.800 . 5.000 4.330 3.440 5.019 0.019 17 0 "[ . 1 . 2]" 1
674 1 117 ILE H 1 118 SER H 1.800 . 3.500 2.726 2.675 2.829 . 0 0 "[ . 1 . 2]" 1
675 1 118 SER HA 1 122 ARG H 1.800 . 5.000 3.935 3.602 4.381 . 0 0 "[ . 1 . 2]" 1
676 1 118 SER HA 1 119 HIS H 1.800 . 4.000 3.557 3.531 3.590 . 0 0 "[ . 1 . 2]" 1
677 1 118 SER HA 1 121 ARG QB 1.800 . 5.000 3.083 2.329 3.897 . 0 0 "[ . 1 . 2]" 1
678 1 118 SER HA 1 121 ARG H 1.800 . 5.000 3.789 3.434 4.151 . 0 0 "[ . 1 . 2]" 1
679 1 118 SER H 1 119 HIS QB 1.800 . 5.000 4.765 4.549 4.909 . 0 0 "[ . 1 . 2]" 1
680 1 118 SER H 1 119 HIS H 1.800 . 3.500 2.757 2.601 2.933 . 0 0 "[ . 1 . 2]" 1
681 1 119 HIS HA 1 122 ARG QB 1.800 . 5.000 3.036 2.322 3.522 . 0 0 "[ . 1 . 2]" 1
682 1 119 HIS HA 1 122 ARG H 1.800 . 5.000 3.839 3.256 4.193 . 0 0 "[ . 1 . 2]" 1
683 1 119 HIS HA 1 123 LEU H 1.800 . 5.000 4.113 3.754 4.393 . 0 0 "[ . 1 . 2]" 1
684 1 119 HIS H 1 119 HIS HD2 1.800 . 5.000 3.637 2.791 4.499 . 0 0 "[ . 1 . 2]" 1
685 1 119 HIS H 1 121 ARG H 1.800 . 5.000 4.364 4.147 4.722 . 0 0 "[ . 1 . 2]" 1
686 1 120 LEU HA 1 123 LEU HB3 1.800 . 5.000 3.054 2.391 3.666 . 0 0 "[ . 1 . 2]" 1
687 1 120 LEU HA 1 123 LEU HB2 1.800 . 5.000 3.715 2.994 4.460 . 0 0 "[ . 1 . 2]" 1
688 1 120 LEU HA 1 123 LEU H 1.800 . 5.000 3.714 3.253 4.042 . 0 0 "[ . 1 . 2]" 1
689 1 120 LEU HA 1 124 VAL H 1.800 . 5.000 4.281 3.814 4.580 . 0 0 "[ . 1 . 2]" 1
690 1 120 LEU HA 1 121 ARG H 1.800 . 4.000 3.564 3.532 3.593 . 0 0 "[ . 1 . 2]" 1
691 1 120 LEU MD1 1 124 VAL H 1.800 . 5.000 4.219 3.551 4.667 . 0 0 "[ . 1 . 2]" 1
692 1 120 LEU H 1 121 ARG H 1.800 . 3.500 2.772 2.611 2.912 . 0 0 "[ . 1 . 2]" 1
693 1 121 ARG HA 1 122 ARG H 1.800 . 4.000 3.548 3.501 3.572 . 0 0 "[ . 1 . 2]" 1
694 1 121 ARG HA 1 124 VAL HB 1.800 . 5.000 3.001 2.332 3.591 . 0 0 "[ . 1 . 2]" 1
695 1 121 ARG HA 1 124 VAL MG2 1.800 . 5.000 3.202 2.443 3.851 . 0 0 "[ . 1 . 2]" 1
696 1 121 ARG HA 1 124 VAL H 1.800 . 5.000 3.567 3.197 4.068 . 0 0 "[ . 1 . 2]" 1
697 1 121 ARG HA 1 125 GLU H 1.800 . 5.000 4.136 3.715 4.461 . 0 0 "[ . 1 . 2]" 1
698 1 121 ARG HA 1 134 LEU MD1 1.800 . 5.000 3.237 2.115 4.625 . 0 0 "[ . 1 . 2]" 1
699 1 121 ARG QB 1 134 LEU MD1 1.800 . 5.000 3.998 2.804 5.006 0.006 17 0 "[ . 1 . 2]" 1
700 1 121 ARG QG 1 125 GLU H 1.800 . 5.000 4.136 3.653 4.779 . 0 0 "[ . 1 . 2]" 1
701 1 121 ARG H 1 122 ARG H 1.800 . 3.500 2.734 2.591 2.949 . 0 0 "[ . 1 . 2]" 1
702 1 122 ARG HA 1 123 LEU H 1.800 . 4.000 3.526 3.481 3.582 . 0 0 "[ . 1 . 2]" 1
703 1 122 ARG HA 1 125 GLU QB 1.800 . 4.500 2.533 1.939 3.094 . 0 0 "[ . 1 . 2]" 1
704 1 122 ARG HA 1 125 GLU H 1.800 . 5.000 3.384 2.939 3.866 . 0 0 "[ . 1 . 2]" 1
705 1 122 ARG HA 1 126 LEU H 1.800 . 5.000 3.951 3.252 4.441 . 0 0 "[ . 1 . 2]" 1
706 1 122 ARG H 1 123 LEU H 1.800 . 3.500 2.654 2.516 2.892 . 0 0 "[ . 1 . 2]" 1
707 1 123 LEU HA 1 124 VAL H 1.800 . 4.000 3.546 3.513 3.575 . 0 0 "[ . 1 . 2]" 1
708 1 123 LEU HA 1 125 GLU H 1.800 . 5.000 4.436 4.211 4.838 . 0 0 "[ . 1 . 2]" 1
709 1 123 LEU HA 1 126 LEU HB3 1.800 . 5.000 4.416 2.798 5.004 0.004 15 0 "[ . 1 . 2]" 1
710 1 123 LEU HA 1 126 LEU HB2 1.800 . 5.000 3.048 2.595 3.713 . 0 0 "[ . 1 . 2]" 1
711 1 123 LEU HA 1 126 LEU QD 1.800 . 5.000 3.047 2.154 4.016 . 0 0 "[ . 1 . 2]" 1
712 1 123 LEU HA 1 126 LEU H 1.800 . 5.000 3.585 3.203 3.995 . 0 0 "[ . 1 . 2]" 1
713 1 123 LEU HA 1 127 ASN QD 1.800 . 5.000 3.974 3.086 5.009 0.009 15 0 "[ . 1 . 2]" 1
714 1 123 LEU HA 1 127 ASN H 1.800 . 5.000 4.348 3.758 4.923 . 0 0 "[ . 1 . 2]" 1
715 1 123 LEU QB 1 125 GLU H 1.800 . 5.000 4.667 4.464 4.853 . 0 0 "[ . 1 . 2]" 1
716 1 123 LEU MD1 1 126 LEU QB 1.800 . 5.000 3.331 2.690 4.134 . 0 0 "[ . 1 . 2]" 1
717 1 123 LEU MD1 1 126 LEU QD 1.800 . 5.000 3.380 2.254 4.811 . 0 0 "[ . 1 . 2]" 1
718 1 123 LEU MD1 1 127 ASN QD 1.800 . 5.000 2.572 2.192 3.200 . 0 0 "[ . 1 . 2]" 1
719 1 123 LEU MD2 1 127 ASN HD21 1.800 . 5.000 4.262 3.282 4.978 . 0 0 "[ . 1 . 2]" 1
720 1 123 LEU MD2 1 127 ASN HD22 1.800 . 5.000 4.385 3.224 5.004 0.004 15 0 "[ . 1 . 2]" 1
721 1 123 LEU HG 1 127 ASN HD21 1.800 . 5.000 3.068 2.349 3.952 . 0 0 "[ . 1 . 2]" 1
722 1 123 LEU HG 1 127 ASN HD22 1.800 . 5.000 3.692 2.173 4.791 . 0 0 "[ . 1 . 2]" 1
723 1 123 LEU H 1 124 VAL MG2 1.800 . 5.000 4.152 3.893 4.372 . 0 0 "[ . 1 . 2]" 1
724 1 123 LEU H 1 124 VAL H 1.800 . 3.500 2.693 2.550 2.880 . 0 0 "[ . 1 . 2]" 1
725 1 123 LEU H 1 126 LEU QD 1.800 . 5.000 4.509 4.216 5.008 0.008 1 0 "[ . 1 . 2]" 1
726 1 124 VAL HA 1 125 GLU H 1.800 . 4.000 3.527 3.502 3.550 . 0 0 "[ . 1 . 2]" 1
727 1 124 VAL HA 1 127 ASN QB 1.800 . 5.000 2.972 2.150 4.719 . 0 0 "[ . 1 . 2]" 1
728 1 124 VAL HA 1 127 ASN H 1.800 . 5.000 3.561 3.203 3.903 . 0 0 "[ . 1 . 2]" 1
729 1 124 VAL HA 1 128 LEU H 1.800 . 5.000 4.470 3.913 5.001 0.001 4 0 "[ . 1 . 2]" 1
730 1 124 VAL HA 1 129 GLY H 1.800 . 5.000 3.520 2.858 4.259 . 0 0 "[ . 1 . 2]" 1
731 1 124 VAL MG1 1 129 GLY HA3 1.800 . 5.000 2.872 1.926 4.697 . 0 0 "[ . 1 . 2]" 1
732 1 124 VAL MG1 1 129 GLY HA2 1.800 . 5.000 4.023 3.387 5.002 0.002 16 0 "[ . 1 . 2]" 1
733 1 124 VAL MG1 1 129 GLY H 1.800 . 5.000 2.873 2.417 3.268 . 0 0 "[ . 1 . 2]" 1
734 1 124 VAL MG1 1 130 ASP H 1.800 . 5.000 3.536 2.589 4.614 . 0 0 "[ . 1 . 2]" 1
735 1 124 VAL MG1 1 131 GLU HA 1.800 . 5.000 2.909 2.163 3.727 . 0 0 "[ . 1 . 2]" 1
736 1 124 VAL MG1 1 131 GLU H 1.800 . 5.000 4.062 3.254 4.661 . 0 0 "[ . 1 . 2]" 1
737 1 124 VAL MG2 1 131 GLU HA 1.800 . 5.000 4.537 3.699 5.009 0.009 17 0 "[ . 1 . 2]" 1
738 1 124 VAL H 1 125 GLU H 1.800 . 3.500 2.642 2.552 2.843 . 0 0 "[ . 1 . 2]" 1
739 1 124 VAL H 1 126 LEU H 1.800 . 5.000 4.226 4.048 4.547 . 0 0 "[ . 1 . 2]" 1
740 1 125 GLU HA 1 128 LEU H 1.800 . 5.000 3.524 3.089 3.901 . 0 0 "[ . 1 . 2]" 1
741 1 125 GLU QB 1 127 ASN H 1.800 . 5.000 4.550 4.275 4.892 . 0 0 "[ . 1 . 2]" 1
742 1 125 GLU QB 1 128 LEU H 1.800 . 5.000 4.854 4.636 5.010 0.010 13 0 "[ . 1 . 2]" 1
743 1 125 GLU H 1 126 LEU H 1.800 . 3.500 2.705 2.608 2.834 . 0 0 "[ . 1 . 2]" 1
744 1 125 GLU H 1 127 ASN H 1.800 . 5.000 4.019 3.691 4.371 . 0 0 "[ . 1 . 2]" 1
745 1 126 LEU HA 1 127 ASN H 1.800 . 4.000 3.469 3.341 3.559 . 0 0 "[ . 1 . 2]" 1
746 1 126 LEU QB 1 128 LEU H 1.800 . 5.000 4.527 4.321 4.938 . 0 0 "[ . 1 . 2]" 1
747 1 126 LEU H 1 127 ASN H 1.800 . 3.500 2.601 2.441 2.770 . 0 0 "[ . 1 . 2]" 1
748 1 127 ASN HA 1 129 GLY H 1.800 . 5.000 4.793 4.286 5.023 0.023 14 0 "[ . 1 . 2]" 1
749 1 127 ASN HB3 1 129 GLY H 1.800 . 5.000 3.752 2.786 4.800 . 0 0 "[ . 1 . 2]" 1
750 1 127 ASN HB2 1 129 GLY H 1.800 . 5.000 3.751 2.958 5.007 0.007 15 0 "[ . 1 . 2]" 1
751 1 128 LEU HA 1 130 ASP H 1.800 . 5.000 3.646 2.825 5.012 0.012 4 0 "[ . 1 . 2]" 1
752 1 128 LEU QB 1 130 ASP H 1.800 . 5.000 4.274 2.449 5.005 0.005 4 0 "[ . 1 . 2]" 1
753 1 128 LEU QD 1 130 ASP H 1.800 . 5.000 4.151 2.978 5.017 0.017 2 0 "[ . 1 . 2]" 1
754 1 130 ASP HB3 1 132 GLU H 1.800 . 5.000 3.290 2.296 4.226 . 0 0 "[ . 1 . 2]" 1
755 1 130 ASP HB3 1 133 LEU MD1 1.800 . 5.000 3.548 2.246 4.927 . 0 0 "[ . 1 . 2]" 1
756 1 130 ASP HB2 1 132 GLU H 1.800 . 5.000 4.385 3.904 4.766 . 0 0 "[ . 1 . 2]" 1
757 1 130 ASP HB2 1 133 LEU MD1 1.800 . 5.000 3.786 2.651 5.008 0.008 20 0 "[ . 1 . 2]" 1
758 1 130 ASP QB 1 133 LEU HG 1.800 . 5.000 2.931 1.879 3.985 . 0 0 "[ . 1 . 2]" 1
759 1 130 ASP QB 1 133 LEU H 1.800 . 5.000 3.367 2.504 3.824 . 0 0 "[ . 1 . 2]" 1
760 1 131 GLU HA 1 134 LEU MD1 1.800 . 5.000 2.924 2.089 4.267 . 0 0 "[ . 1 . 2]" 1
761 1 131 GLU HA 1 134 LEU H 1.800 . 5.000 3.340 2.765 4.137 . 0 0 "[ . 1 . 2]" 1
762 1 131 GLU QB 1 134 LEU MD1 1.800 . 5.000 3.335 2.596 4.996 . 0 0 "[ . 1 . 2]" 1
763 1 131 GLU QG 1 134 LEU MD1 1.800 . 5.000 4.047 2.216 5.006 0.006 7 0 "[ . 1 . 2]" 1
764 1 132 GLU HA 1 135 GLU H 1.800 . 5.000 3.471 2.922 4.101 . 0 0 "[ . 1 . 2]" 1
765 1 132 GLU H 1 133 LEU H 1.800 . 3.500 2.652 2.380 2.926 . 0 0 "[ . 1 . 2]" 1
766 1 133 LEU QB 1 136 ARG HE 1.800 . 5.000 3.749 2.327 5.015 0.015 15 0 "[ . 1 . 2]" 1
767 1 133 LEU MD2 1 136 ARG QD 1.800 . 5.000 3.152 1.963 4.752 . 0 0 "[ . 1 . 2]" 1
768 1 133 LEU MD2 1 136 ARG HE 1.800 . 5.000 3.335 2.238 4.813 . 0 0 "[ . 1 . 2]" 1
769 1 133 LEU H 1 134 LEU H 1.800 . 3.500 2.597 2.469 2.771 . 0 0 "[ . 1 . 2]" 1
770 1 133 LEU H 1 135 GLU H 1.800 . 5.000 4.017 3.725 4.254 . 0 0 "[ . 1 . 2]" 1
771 1 134 LEU HA 1 141 LEU MD2 1.800 . 5.000 4.474 2.719 5.009 0.009 2 0 "[ . 1 . 2]" 1
772 1 134 LEU H 1 135 GLU H 1.800 . 2.900 2.453 2.250 2.621 . 0 0 "[ . 1 . 2]" 1
773 1 134 LEU H 1 136 ARG H 1.800 . 5.000 4.383 3.989 4.603 . 0 0 "[ . 1 . 2]" 1
774 1 135 GLU HA 1 136 ARG H 1.800 . 4.000 3.052 2.889 3.441 . 0 0 "[ . 1 . 2]" 1
775 1 135 GLU H 1 136 ARG H 1.800 . 2.500 2.486 2.359 2.516 0.016 13 0 "[ . 1 . 2]" 1
776 1 136 ARG HA 1 137 GLU H 1.800 . 4.000 3.060 2.168 3.504 . 0 0 "[ . 1 . 2]" 1
777 1 136 ARG HA 1 140 LEU MD1 1.800 . 5.000 2.908 2.486 3.201 . 0 0 "[ . 1 . 2]" 1
778 1 136 ARG QB 1 140 LEU MD1 1.800 . 5.000 2.627 2.154 3.400 . 0 0 "[ . 1 . 2]" 1
779 1 136 ARG QD 1 140 LEU MD1 1.800 . 5.000 3.905 3.009 5.009 0.009 6 0 "[ . 1 . 2]" 1
780 1 136 ARG HE 1 141 LEU MD2 1.800 . 5.000 4.655 3.838 5.041 0.041 1 0 "[ . 1 . 2]" 1
781 1 136 ARG H 1 136 ARG HE 1.800 . 5.000 4.002 3.093 5.002 0.002 12 0 "[ . 1 . 2]" 1
782 1 136 ARG H 1 140 LEU MD1 1.800 . 5.000 5.004 4.920 5.019 0.019 7 0 "[ . 1 . 2]" 1
783 1 136 ARG H 1 141 LEU MD1 1.800 . 5.000 3.486 2.665 4.081 . 0 0 "[ . 1 . 2]" 1
784 1 136 ARG H 1 141 LEU MD2 1.800 . 5.000 4.882 3.911 5.020 0.020 15 0 "[ . 1 . 2]" 1
785 1 137 GLU HA 1 138 LEU H 1.800 . 3.500 2.417 2.269 2.528 . 0 0 "[ . 1 . 2]" 1
786 1 137 GLU QB 1 139 ALA H 1.800 . 5.000 2.966 2.367 3.597 . 0 0 "[ . 1 . 2]" 1
787 1 137 GLU QB 1 140 LEU H 1.800 . 5.000 2.559 2.191 2.924 . 0 0 "[ . 1 . 2]" 1
788 1 137 GLU QB 1 141 LEU H 1.800 . 5.000 4.532 4.199 4.881 . 0 0 "[ . 1 . 2]" 1
789 1 137 GLU QG 1 139 ALA MB 1.800 . 5.000 3.611 2.606 4.436 . 0 0 "[ . 1 . 2]" 1
790 1 137 GLU QG 1 140 LEU MD1 1.800 . 5.000 3.711 2.893 4.270 . 0 0 "[ . 1 . 2]" 1
791 1 137 GLU QG 1 140 LEU HG 1.800 . 5.000 3.690 3.099 4.345 . 0 0 "[ . 1 . 2]" 1
792 1 137 GLU H 1 140 LEU HA 1.800 . 5.000 4.960 4.687 5.016 0.016 17 0 "[ . 1 . 2]" 1
793 1 137 GLU H 1 140 LEU QB 1.800 . 5.000 2.109 1.796 2.228 0.004 13 0 "[ . 1 . 2]" 1
794 1 137 GLU H 1 140 LEU MD1 1.800 . 5.000 2.530 1.790 3.443 0.010 7 0 "[ . 1 . 2]" 1
795 1 137 GLU H 1 140 LEU MD2 1.800 . 5.000 4.555 4.062 5.009 0.009 10 0 "[ . 1 . 2]" 1
796 1 137 GLU H 1 140 LEU H 1.800 . 5.000 3.548 3.352 3.713 . 0 0 "[ . 1 . 2]" 1
797 1 138 LEU HA 1 139 ALA H 1.800 . 4.000 3.543 3.520 3.566 . 0 0 "[ . 1 . 2]" 1
798 1 138 LEU HA 1 140 LEU H 1.800 . 5.000 3.742 3.602 3.884 . 0 0 "[ . 1 . 2]" 1
799 1 138 LEU HA 1 141 LEU MD2 1.800 . 5.000 2.750 2.233 3.730 . 0 0 "[ . 1 . 2]" 1
800 1 138 LEU HA 1 141 LEU H 1.800 . 5.000 3.391 3.153 3.653 . 0 0 "[ . 1 . 2]" 1
801 1 138 LEU MD1 1 141 LEU MD1 1.800 . 5.000 4.212 3.554 4.979 . 0 0 "[ . 1 . 2]" 1
802 1 138 LEU MD1 1 141 LEU MD2 1.800 . 5.000 3.016 2.416 3.873 . 0 0 "[ . 1 . 2]" 1
803 1 138 LEU MD1 1 141 LEU H 1.800 . 5.000 4.110 3.556 4.527 . 0 0 "[ . 1 . 2]" 1
804 1 138 LEU H 1 139 ALA H 1.800 . 3.500 2.744 2.616 2.930 . 0 0 "[ . 1 . 2]" 1
805 1 138 LEU H 1 140 LEU H 1.800 . 5.000 3.853 3.620 4.112 . 0 0 "[ . 1 . 2]" 1
806 1 138 LEU H 1 141 LEU MD1 1.800 . 5.000 4.324 3.782 5.010 0.010 7 0 "[ . 1 . 2]" 1
807 1 138 LEU H 1 141 LEU H 1.800 . 5.000 4.964 4.734 5.012 0.012 1 0 "[ . 1 . 2]" 1
808 1 139 ALA HA 1 140 LEU H 1.800 . 4.000 3.388 3.305 3.473 . 0 0 "[ . 1 . 2]" 1
809 1 139 ALA HA 1 141 LEU H 1.800 . 5.000 3.744 3.511 3.997 . 0 0 "[ . 1 . 2]" 1
810 1 139 ALA MB 1 140 LEU HA 1.800 . 5.000 4.054 3.894 4.164 . 0 0 "[ . 1 . 2]" 1
811 1 139 ALA MB 1 140 LEU MD2 1.800 . 5.000 3.481 3.181 3.960 . 0 0 "[ . 1 . 2]" 1
812 1 139 ALA MB 1 141 LEU H 1.800 . 5.000 4.423 4.301 4.552 . 0 0 "[ . 1 . 2]" 1
813 1 139 ALA H 1 140 LEU H 1.800 . 3.500 2.614 2.509 2.729 . 0 0 "[ . 1 . 2]" 1
814 1 139 ALA H 1 141 LEU H 1.800 . 5.000 4.057 3.962 4.174 . 0 0 "[ . 1 . 2]" 1
815 1 140 LEU HA 1 141 LEU H 1.800 . 4.000 3.290 3.174 3.405 . 0 0 "[ . 1 . 2]" 1
816 1 140 LEU H 1 141 LEU MD1 1.800 . 5.000 3.642 3.148 4.623 . 0 0 "[ . 1 . 2]" 1
817 1 140 LEU H 1 141 LEU H 1.800 . 2.500 2.239 2.095 2.386 . 0 0 "[ . 1 . 2]" 1
818 1 141 LEU HA 1 142 VAL H 1.800 . 2.900 2.156 2.075 2.341 . 0 0 "[ . 1 . 2]" 1
819 1 142 VAL HA 1 143 SER H 1.800 . 2.900 2.426 2.198 2.834 . 0 0 "[ . 1 . 2]" 1
820 1 142 VAL MG1 1 146 ASP HA 1.800 . 5.000 3.110 1.979 5.011 0.011 7 0 "[ . 1 . 2]" 1
821 1 142 VAL MG1 1 146 ASP HB3 1.800 . 5.000 3.205 1.962 5.009 0.009 8 0 "[ . 1 . 2]" 1
822 1 142 VAL MG1 1 146 ASP HB2 1.800 . 5.000 2.922 2.174 4.494 . 0 0 "[ . 1 . 2]" 1
823 1 142 VAL QG 1 145 HIS HD2 1.800 . 5.000 4.775 2.550 5.035 0.035 11 0 "[ . 1 . 2]" 1
824 1 143 SER H 1 146 ASP QB 1.800 . 5.000 4.616 2.538 5.010 0.010 15 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 68
_Distance_constraint_stats_list.Viol_count 223
_Distance_constraint_stats_list.Viol_total 24.862
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0056
_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 42 SER 0.032 0.010 19 0 "[ . 1 . 2]"
1 43 GLU 0.039 0.016 10 0 "[ . 1 . 2]"
1 44 ILE 0.158 0.017 10 0 "[ . 1 . 2]"
1 45 LEU 0.125 0.019 16 0 "[ . 1 . 2]"
1 46 GLN 0.026 0.008 7 0 "[ . 1 . 2]"
1 49 ARG 0.026 0.008 7 0 "[ . 1 . 2]"
1 51 TRP 0.158 0.017 10 0 "[ . 1 . 2]"
1 53 VAL 0.032 0.010 19 0 "[ . 1 . 2]"
1 57 ASP 0.095 0.018 3 0 "[ . 1 . 2]"
1 63 ILE 0.034 0.006 7 0 "[ . 1 . 2]"
1 64 LEU 0.095 0.018 3 0 "[ . 1 . 2]"
1 65 VAL 0.003 0.002 5 0 "[ . 1 . 2]"
1 79 PHE 0.075 0.012 19 0 "[ . 1 . 2]"
1 80 GLU 0.125 0.019 16 0 "[ . 1 . 2]"
1 81 ALA 0.041 0.008 9 0 "[ . 1 . 2]"
1 82 ARG 0.039 0.016 10 0 "[ . 1 . 2]"
1 83 LEU 0.085 0.012 1 0 "[ . 1 . 2]"
1 91 ILE 0.085 0.012 1 0 "[ . 1 . 2]"
1 93 MET 0.041 0.008 9 0 "[ . 1 . 2]"
1 94 GLU 0.062 0.012 2 0 "[ . 1 . 2]"
1 95 ILE 0.075 0.012 19 0 "[ . 1 . 2]"
1 96 SER 0.157 0.018 6 0 "[ . 1 . 2]"
1 99 TRP 0.041 0.008 5 0 "[ . 1 . 2]"
1 101 ARG 0.093 0.014 4 0 "[ . 1 . 2]"
1 104 LEU 0.093 0.014 4 0 "[ . 1 . 2]"
1 105 LEU 0.003 0.002 5 0 "[ . 1 . 2]"
1 106 GLY 0.041 0.008 5 0 "[ . 1 . 2]"
1 107 PHE 0.034 0.006 7 0 "[ . 1 . 2]"
1 108 GLU 0.157 0.018 6 0 "[ . 1 . 2]"
1 111 HIS 0.062 0.012 2 0 "[ . 1 . 2]"
1 114 LEU 0.008 0.006 3 0 "[ . 1 . 2]"
1 115 ASP 0.001 0.001 10 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ILE 0.031 0.010 17 0 "[ . 1 . 2]"
1 118 SER 0.021 0.006 3 0 "[ . 1 . 2]"
1 119 HIS 0.009 0.005 16 0 "[ . 1 . 2]"
1 120 LEU 0.010 0.004 15 0 "[ . 1 . 2]"
1 121 ARG 0.087 0.015 8 0 "[ . 1 . 2]"
1 122 ARG 0.042 0.007 4 0 "[ . 1 . 2]"
1 123 LEU 0.008 0.005 16 0 "[ . 1 . 2]"
1 124 VAL 0.010 0.004 15 0 "[ . 1 . 2]"
1 125 GLU 0.056 0.015 8 0 "[ . 1 . 2]"
1 126 LEU 0.029 0.007 4 0 "[ . 1 . 2]"
1 138 LEU 0.023 0.006 14 0 "[ . 1 . 2]"
1 141 LEU 0.023 0.006 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 43 GLU H 1 82 ARG O 1.800 . 2.300 2.082 1.868 2.277 . 0 0 "[ . 1 . 2]" 2
2 1 43 GLU N 1 82 ARG O 2.800 2.800 3.300 3.034 2.814 3.219 . 0 0 "[ . 1 . 2]" 2
3 1 44 ILE H 1 51 TRP O 1.800 . 2.300 1.873 1.806 2.094 . 0 0 "[ . 1 . 2]" 2
4 1 44 ILE N 1 51 TRP O 2.800 2.800 3.300 2.819 2.783 2.979 0.017 10 0 "[ . 1 . 2]" 2
5 1 45 LEU H 1 80 GLU O 1.800 . 2.300 1.939 1.815 2.115 . 0 0 "[ . 1 . 2]" 2
6 1 45 LEU N 1 80 GLU O 2.800 2.800 3.300 2.864 2.781 3.021 0.019 16 0 "[ . 1 . 2]" 2
7 1 46 GLN H 1 49 ARG O 1.800 . 2.300 2.001 1.812 2.304 0.004 17 0 "[ . 1 . 2]" 2
8 1 46 GLN N 1 49 ARG O 2.800 2.800 3.300 2.934 2.792 3.191 0.008 7 0 "[ . 1 . 2]" 2
9 1 44 ILE O 1 51 TRP H 1.800 . 2.300 1.908 1.800 2.301 0.001 4 0 "[ . 1 . 2]" 2
10 1 44 ILE O 1 51 TRP N 2.800 2.800 3.300 2.839 2.783 3.002 0.017 18 0 "[ . 1 . 2]" 2
11 1 42 SER O 1 53 VAL H 1.800 . 2.300 1.905 1.809 2.229 . 0 0 "[ . 1 . 2]" 2
12 1 42 SER O 1 53 VAL N 2.800 2.800 3.300 2.856 2.790 3.112 0.010 19 0 "[ . 1 . 2]" 2
13 1 63 ILE H 1 107 PHE O 1.800 . 2.300 2.109 1.876 2.305 0.005 4 0 "[ . 1 . 2]" 2
14 1 63 ILE N 1 107 PHE O 2.800 2.800 3.300 3.002 2.796 3.203 0.004 13 0 "[ . 1 . 2]" 2
15 1 57 ASP O 1 64 LEU H 1.800 . 2.300 1.857 1.807 1.974 . 0 0 "[ . 1 . 2]" 2
16 1 57 ASP O 1 64 LEU N 2.800 2.800 3.300 2.811 2.782 2.901 0.018 3 0 "[ . 1 . 2]" 2
17 1 79 PHE H 1 95 ILE O 1.800 . 2.300 2.012 1.841 2.299 . 0 0 "[ . 1 . 2]" 2
18 1 79 PHE N 1 95 ILE O 2.800 2.800 3.300 2.922 2.794 3.168 0.006 2 0 "[ . 1 . 2]" 2
19 1 45 LEU O 1 80 GLU H 1.800 . 2.300 1.993 1.814 2.304 0.004 2 0 "[ . 1 . 2]" 2
20 1 45 LEU O 1 80 GLU N 2.800 2.800 3.300 2.905 2.786 3.191 0.014 6 0 "[ . 1 . 2]" 2
21 1 81 ALA H 1 93 MET O 1.800 . 2.300 2.059 1.833 2.305 0.005 2 0 "[ . 1 . 2]" 2
22 1 81 ALA N 1 93 MET O 2.800 2.800 3.300 3.009 2.813 3.267 . 0 0 "[ . 1 . 2]" 2
23 1 43 GLU O 1 82 ARG H 1.800 . 2.300 1.932 1.799 2.205 0.001 10 0 "[ . 1 . 2]" 2
24 1 43 GLU O 1 82 ARG N 2.800 2.800 3.300 2.894 2.784 3.150 0.016 10 0 "[ . 1 . 2]" 2
25 1 83 LEU H 1 91 ILE O 1.800 . 2.300 1.844 1.806 1.940 . 0 0 "[ . 1 . 2]" 2
26 1 83 LEU N 1 91 ILE O 2.800 2.800 3.300 2.803 2.788 2.882 0.012 1 0 "[ . 1 . 2]" 2
27 1 83 LEU O 1 91 ILE H 1.800 . 2.300 1.930 1.825 2.135 . 0 0 "[ . 1 . 2]" 2
28 1 83 LEU O 1 91 ILE N 2.800 2.800 3.300 2.893 2.799 3.059 0.001 12 0 "[ . 1 . 2]" 2
29 1 81 ALA O 1 93 MET H 1.800 . 2.300 2.193 1.934 2.308 0.008 9 0 "[ . 1 . 2]" 2
30 1 81 ALA O 1 93 MET N 2.800 2.800 3.300 3.097 2.911 3.232 . 0 0 "[ . 1 . 2]" 2
31 1 94 GLU H 1 111 HIS O 1.800 . 2.300 1.950 1.814 2.214 . 0 0 "[ . 1 . 2]" 2
32 1 94 GLU N 1 111 HIS O 2.800 2.800 3.300 2.876 2.788 3.153 0.012 2 0 "[ . 1 . 2]" 2
33 1 79 PHE O 1 95 ILE H 1.800 . 2.300 1.919 1.813 2.312 0.012 19 0 "[ . 1 . 2]" 2
34 1 79 PHE O 1 95 ILE N 2.800 2.800 3.300 2.865 2.789 3.237 0.011 8 0 "[ . 1 . 2]" 2
35 1 96 SER H 1 108 GLU O 1.800 . 2.300 1.911 1.818 2.024 . 0 0 "[ . 1 . 2]" 2
36 1 96 SER N 1 108 GLU O 2.800 2.800 3.300 2.867 2.796 2.952 0.004 13 0 "[ . 1 . 2]" 2
37 1 101 ARG H 1 104 LEU O 1.800 . 2.300 1.921 1.813 2.124 . 0 0 "[ . 1 . 2]" 2
38 1 101 ARG N 1 104 LEU O 2.800 2.800 3.300 2.861 2.786 3.086 0.014 4 0 "[ . 1 . 2]" 2
39 1 101 ARG O 1 104 LEU H 1.800 . 2.300 1.979 1.853 2.135 . 0 0 "[ . 1 . 2]" 2
40 1 101 ARG O 1 104 LEU N 2.800 2.800 3.300 2.908 2.795 3.028 0.005 17 0 "[ . 1 . 2]" 2
41 1 65 VAL O 1 105 LEU H 1.800 . 2.300 1.889 1.816 1.971 . 0 0 "[ . 1 . 2]" 2
42 1 65 VAL O 1 105 LEU N 2.800 2.800 3.300 2.857 2.798 2.946 0.002 5 0 "[ . 1 . 2]" 2
43 1 99 TRP O 1 106 GLY H 1.800 . 2.300 1.979 1.848 2.308 0.008 5 0 "[ . 1 . 2]" 2
44 1 99 TRP O 1 106 GLY N 2.800 2.800 3.300 2.905 2.794 3.266 0.006 19 0 "[ . 1 . 2]" 2
45 1 63 ILE O 1 107 PHE H 1.800 . 2.300 1.894 1.817 2.048 . 0 0 "[ . 1 . 2]" 2
46 1 63 ILE O 1 107 PHE N 2.800 2.800 3.300 2.861 2.794 3.023 0.006 7 0 "[ . 1 . 2]" 2
47 1 96 SER O 1 108 GLU H 1.800 . 2.300 1.869 1.814 1.981 . 0 0 "[ . 1 . 2]" 2
48 1 96 SER O 1 108 GLU N 2.800 2.800 3.300 2.798 2.782 2.838 0.018 6 0 "[ . 1 . 2]" 2
49 1 114 LEU O 1 118 SER H 1.800 . 2.300 1.993 1.859 2.251 . 0 0 "[ . 1 . 2]" 2
50 1 114 LEU O 1 118 SER N 2.800 2.800 3.300 2.918 2.794 3.173 0.006 3 0 "[ . 1 . 2]" 2
51 1 115 ASP O 1 119 HIS H 1.800 . 2.300 2.035 1.889 2.291 . 0 0 "[ . 1 . 2]" 2
52 1 115 ASP O 1 119 HIS N 2.800 2.800 3.300 2.969 2.799 3.245 0.001 10 0 "[ . 1 . 2]" 2
53 1 116 SER O 1 120 LEU H 1.800 . 2.300 1.990 1.863 2.167 . 0 0 "[ . 1 . 2]" 2
54 1 116 SER O 1 120 LEU N 2.800 2.800 3.300 2.937 2.804 3.111 . 0 0 "[ . 1 . 2]" 2
55 1 117 ILE O 1 121 ARG H 1.800 . 2.300 1.911 1.817 2.213 . 0 0 "[ . 1 . 2]" 2
56 1 117 ILE O 1 121 ARG N 2.800 2.800 3.300 2.879 2.790 3.197 0.010 17 0 "[ . 1 . 2]" 2
57 1 118 SER O 1 122 ARG H 1.800 . 2.300 2.125 1.839 2.304 0.004 3 0 "[ . 1 . 2]" 2
58 1 118 SER O 1 122 ARG N 2.800 2.800 3.300 3.052 2.799 3.267 0.001 10 0 "[ . 1 . 2]" 2
59 1 119 HIS O 1 123 LEU H 1.800 . 2.300 2.096 1.857 2.301 0.001 18 0 "[ . 1 . 2]" 2
60 1 119 HIS O 1 123 LEU N 2.800 2.800 3.300 2.996 2.795 3.263 0.005 16 0 "[ . 1 . 2]" 2
61 1 120 LEU O 1 124 VAL H 1.800 . 2.300 2.132 1.939 2.304 0.004 15 0 "[ . 1 . 2]" 2
62 1 120 LEU O 1 124 VAL N 2.800 2.800 3.300 3.080 2.910 3.285 . 0 0 "[ . 1 . 2]" 2
63 1 121 ARG O 1 125 GLU H 1.800 . 2.300 2.003 1.844 2.298 . 0 0 "[ . 1 . 2]" 2
64 1 121 ARG O 1 125 GLU N 2.800 2.800 3.300 2.922 2.785 3.247 0.015 8 0 "[ . 1 . 2]" 2
65 1 122 ARG O 1 126 LEU H 1.800 . 2.300 1.985 1.828 2.302 0.002 13 0 "[ . 1 . 2]" 2
66 1 122 ARG O 1 126 LEU N 2.800 2.800 3.300 2.907 2.793 3.191 0.007 4 0 "[ . 1 . 2]" 2
67 1 138 LEU O 1 141 LEU H 1.800 . 2.300 2.187 2.013 2.306 0.006 14 0 "[ . 1 . 2]" 2
68 1 138 LEU O 1 141 LEU N 2.800 2.800 3.300 3.098 2.922 3.249 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 1:30:44 PM GMT (wattos1)