Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
455872 | 2klq RC | 16396 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2klq
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 1307
_Distance_constraint_stats_list.Viol_count 2302
_Distance_constraint_stats_list.Viol_total 1893.405
_Distance_constraint_stats_list.Viol_max 0.407
_Distance_constraint_stats_list.Viol_rms 0.0161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0411
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.178 0.100 17 0 "[ . 1 . 2]"
1 4 ALA 0.178 0.100 17 0 "[ . 1 . 2]"
1 6 LEU 3.141 0.407 1 0 "[ . 1 . 2]"
1 8 LEU 0.057 0.052 8 0 "[ . 1 . 2]"
1 9 GLY 0.057 0.052 8 0 "[ . 1 . 2]"
1 10 PHE 1.093 0.143 1 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.916 0.126 5 0 "[ . 1 . 2]"
1 13 TYR 0.197 0.079 17 0 "[ . 1 . 2]"
1 14 SER 0.938 0.407 1 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 3.663 0.131 8 0 "[ . 1 . 2]"
1 17 SER 1.765 0.103 11 0 "[ . 1 . 2]"
1 18 ASN 1.560 0.113 13 0 "[ . 1 . 2]"
1 19 LEU 4.421 0.150 17 0 "[ . 1 . 2]"
1 20 ILE 4.941 0.123 17 0 "[ . 1 . 2]"
1 21 VAL 2.202 0.123 17 0 "[ . 1 . 2]"
1 22 LEU 4.198 0.122 13 0 "[ . 1 . 2]"
1 23 HIS 0.392 0.046 10 0 "[ . 1 . 2]"
1 24 LEU 3.271 0.100 8 0 "[ . 1 . 2]"
1 25 ARG 1.566 0.098 2 0 "[ . 1 . 2]"
1 26 LYS 0.244 0.091 18 0 "[ . 1 . 2]"
1 27 VAL 3.042 0.107 2 0 "[ . 1 . 2]"
1 28 GLU 0.435 0.100 1 0 "[ . 1 . 2]"
1 29 GLU 0.203 0.089 18 0 "[ . 1 . 2]"
1 30 GLU 0.584 0.096 16 0 "[ . 1 . 2]"
1 31 GLU 0.706 0.114 18 0 "[ . 1 . 2]"
1 32 ASP 0.240 0.052 7 0 "[ . 1 . 2]"
1 33 GLU 3.724 0.200 15 0 "[ . 1 . 2]"
1 34 SER 3.243 0.200 15 0 "[ . 1 . 2]"
1 35 ALA 1.670 0.156 14 0 "[ . 1 . 2]"
1 38 ARG 0.244 0.052 2 0 "[ . 1 . 2]"
1 39 SER 0.001 0.001 9 0 "[ . 1 . 2]"
1 40 GLU 2.082 0.094 3 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 3.343 0.121 14 0 "[ . 1 . 2]"
1 43 ASN 2.879 0.094 3 0 "[ . 1 . 2]"
1 44 TRP 2.553 0.131 10 0 "[ . 1 . 2]"
1 45 TYR 7.864 0.152 5 0 "[ . 1 . 2]"
1 46 LEU 4.173 0.106 8 0 "[ . 1 . 2]"
1 47 LYS 4.488 0.347 11 0 "[ . 1 . 2]"
1 48 GLU 3.719 0.347 11 0 "[ . 1 . 2]"
1 49 ILE 0.548 0.062 15 0 "[ . 1 . 2]"
1 50 GLU 3.051 0.137 13 0 "[ . 1 . 2]"
1 51 SER 0.109 0.029 7 0 "[ . 1 . 2]"
1 52 GLU 0.695 0.078 8 0 "[ . 1 . 2]"
1 53 ILE 2.597 0.117 8 0 "[ . 1 . 2]"
1 54 ASP 0.597 0.078 8 0 "[ . 1 . 2]"
1 55 SER 2.924 0.118 11 0 "[ . 1 . 2]"
1 56 GLU 0.362 0.057 16 0 "[ . 1 . 2]"
1 57 GLU 1.125 0.108 8 0 "[ . 1 . 2]"
1 58 GLU 2.059 0.145 9 0 "[ . 1 . 2]"
1 59 LEU 1.697 0.116 9 0 "[ . 1 . 2]"
1 60 ILE 0.423 0.057 16 0 "[ . 1 . 2]"
1 61 ASN 2.743 0.110 11 0 "[ . 1 . 2]"
1 62 LYS 4.320 0.152 5 0 "[ . 1 . 2]"
1 63 LYS 1.484 0.260 11 0 "[ . 1 . 2]"
1 64 ARG 0.004 0.004 19 0 "[ . 1 . 2]"
1 65 ILE 2.816 0.135 16 0 "[ . 1 . 2]"
1 66 ILE 2.564 0.083 17 0 "[ . 1 . 2]"
1 67 GLU 1.185 0.121 14 0 "[ . 1 . 2]"
1 68 LYS 1.356 0.119 13 0 "[ . 1 . 2]"
1 69 VAL 0.748 0.135 16 0 "[ . 1 . 2]"
1 70 ILE 1.736 0.167 14 0 "[ . 1 . 2]"
1 71 HIS 1.237 0.167 14 0 "[ . 1 . 2]"
1 72 ARG 1.095 0.082 3 0 "[ . 1 . 2]"
1 73 LEU 2.094 0.288 17 0 "[ . 1 . 2]"
1 74 THR 0.549 0.079 18 0 "[ . 1 . 2]"
1 75 HIS 1.403 0.098 2 0 "[ . 1 . 2]"
1 76 TYR 0.872 0.082 3 0 "[ . 1 . 2]"
1 77 ASP 0.857 0.068 16 0 "[ . 1 . 2]"
1 78 HIS 0.123 0.056 16 0 "[ . 1 . 2]"
1 79 VAL 1.749 0.152 3 0 "[ . 1 . 2]"
1 80 LEU 1.646 0.142 17 0 "[ . 1 . 2]"
1 81 ILE 3.419 0.143 4 0 "[ . 1 . 2]"
1 82 GLU 1.459 0.083 7 0 "[ . 1 . 2]"
1 83 LEU 1.887 0.214 7 0 "[ . 1 . 2]"
1 84 THR 2.505 0.214 7 0 "[ . 1 . 2]"
1 85 GLN 1.911 0.177 9 0 "[ . 1 . 2]"
1 86 ALA 3.010 0.133 13 0 "[ . 1 . 2]"
1 87 GLY 0.149 0.079 19 0 "[ . 1 . 2]"
1 88 LEU 3.457 0.129 14 0 "[ . 1 . 2]"
1 89 LYS 0.737 0.121 8 0 "[ . 1 . 2]"
1 92 THR 0.327 0.088 6 0 "[ . 1 . 2]"
1 93 GLU 0.583 0.088 6 0 "[ . 1 . 2]"
1 94 GLY 0.039 0.021 13 0 "[ . 1 . 2]"
1 95 SER 0.077 0.035 16 0 "[ . 1 . 2]"
1 96 GLU 1.062 0.100 18 0 "[ . 1 . 2]"
1 97 SER 0.473 0.136 8 0 "[ . 1 . 2]"
1 98 TYR 2.587 0.111 13 0 "[ . 1 . 2]"
1 99 GLU 2.385 0.136 8 0 "[ . 1 . 2]"
1 100 GLU 1.663 0.145 2 0 "[ . 1 . 2]"
1 101 ASP 0.827 0.145 2 0 "[ . 1 . 2]"
1 102 PRO 0.590 0.080 2 0 "[ . 1 . 2]"
1 103 TYR 1.781 0.129 14 0 "[ . 1 . 2]"
1 104 LEU 2.107 0.139 20 0 "[ . 1 . 2]"
1 105 VAL 5.292 0.143 4 0 "[ . 1 . 2]"
1 106 VAL 0.975 0.073 18 0 "[ . 1 . 2]"
1 107 ASN 2.009 0.152 3 0 "[ . 1 . 2]"
1 108 PRO 0.231 0.115 4 0 "[ . 1 . 2]"
1 109 ASN 2.230 0.143 11 0 "[ . 1 . 2]"
1 110 TYR 3.568 0.288 17 0 "[ . 1 . 2]"
1 111 LEU 2.762 0.191 17 0 "[ . 1 . 2]"
1 112 LEU 1.729 0.191 17 0 "[ . 1 . 2]"
1 113 GLU 0.252 0.062 12 0 "[ . 1 . 2]"
1 114 ASP 0.435 0.135 19 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 45 TYR QE 1 66 ILE MD 3.720 . 3.720 3.718 3.614 3.786 0.066 14 0 "[ . 1 . 2]" 1
2 1 45 TYR QE 1 49 ILE MG 3.900 . 3.900 2.837 2.613 3.182 . 0 0 "[ . 1 . 2]" 1
3 1 71 HIS HD2 1 72 ARG QB 4.280 . 4.280 3.934 3.441 4.326 0.046 11 0 "[ . 1 . 2]" 1
4 1 73 LEU QB 1 110 TYR QD 5.380 . 5.380 4.694 3.603 5.380 . 0 0 "[ . 1 . 2]" 1
5 1 79 VAL HB 1 110 TYR QD 5.500 . 5.500 4.605 3.473 5.508 0.008 3 0 "[ . 1 . 2]" 1
6 1 72 ARG QB 1 76 TYR QE 4.170 . 4.170 3.997 3.330 4.235 0.065 15 0 "[ . 1 . 2]" 1
7 1 96 GLU HB3 1 98 TYR QD 4.220 . 4.220 2.460 1.851 3.429 . 0 0 "[ . 1 . 2]" 1
8 1 96 GLU HB3 1 98 TYR QE 4.530 . 4.530 3.144 2.046 4.542 0.012 11 0 "[ . 1 . 2]" 1
9 1 96 GLU HB2 1 98 TYR QD 4.220 . 4.220 2.887 1.871 4.283 0.063 19 0 "[ . 1 . 2]" 1
10 1 96 GLU HB2 1 98 TYR QE 4.530 . 4.530 2.891 2.044 3.812 . 0 0 "[ . 1 . 2]" 1
11 1 45 TYR QD 1 66 ILE HB 3.600 . 3.600 2.897 2.796 2.984 . 0 0 "[ . 1 . 2]" 1
12 1 40 GLU H 1 41 LEU QB 5.450 . 5.450 4.449 4.134 4.760 . 0 0 "[ . 1 . 2]" 1
13 1 61 ASN HD22 1 62 LYS QB 5.500 . 5.500 4.680 3.678 5.174 . 0 0 "[ . 1 . 2]" 1
14 1 45 TYR QE 1 66 ILE HB 3.560 . 3.560 2.845 2.632 3.071 . 0 0 "[ . 1 . 2]" 1
15 1 72 ARG QG 1 76 TYR QD 3.910 . 3.910 2.439 1.847 3.260 . 0 0 "[ . 1 . 2]" 1
16 1 68 LYS QG 1 71 HIS HD2 4.270 . 4.270 4.148 3.413 4.338 0.068 11 0 "[ . 1 . 2]" 1
17 1 61 ASN HD22 1 62 LYS QD 4.240 . 4.240 3.407 2.705 4.326 0.086 13 0 "[ . 1 . 2]" 1
18 1 38 ARG QB 1 40 GLU H 4.980 . 4.980 4.750 4.277 5.032 0.052 2 0 "[ . 1 . 2]" 1
19 1 80 LEU H 1 80 LEU QB 3.690 . 3.690 2.426 2.196 2.799 . 0 0 "[ . 1 . 2]" 1
20 1 45 TYR QD 1 48 GLU QG 5.230 . 5.230 4.094 2.622 5.238 0.008 10 0 "[ . 1 . 2]" 1
21 1 45 TYR QD 1 48 GLU QB 4.470 . 4.470 3.921 3.369 4.592 0.122 13 0 "[ . 1 . 2]" 1
22 1 45 TYR QE 1 66 ILE HG12 4.430 . 4.430 4.324 4.071 4.479 0.049 2 0 "[ . 1 . 2]" 1
23 1 16 ILE HG13 1 45 TYR QE 3.720 . 3.720 2.589 2.074 2.968 . 0 0 "[ . 1 . 2]" 1
24 1 45 TYR QD 1 66 ILE MG 3.480 . 3.480 2.527 2.096 3.175 . 0 0 "[ . 1 . 2]" 1
25 1 19 LEU MD1 1 44 TRP HZ2 4.110 . 4.110 3.475 2.747 4.147 0.037 1 0 "[ . 1 . 2]" 1
26 1 19 LEU MD2 1 44 TRP HZ2 4.110 . 4.110 3.116 2.144 4.019 . 0 0 "[ . 1 . 2]" 1
27 1 106 VAL MG2 1 110 TYR QD 3.720 . 3.720 2.624 1.995 3.443 . 0 0 "[ . 1 . 2]" 1
28 1 106 VAL MG2 1 110 TYR QE 4.040 . 4.040 3.647 2.802 4.105 0.065 15 0 "[ . 1 . 2]" 1
29 1 6 LEU MD2 1 10 PHE QE 4.120 . 4.120 3.366 2.190 4.156 0.036 8 0 "[ . 1 . 2]" 1
30 1 20 ILE MG 1 110 TYR QE 3.890 . 3.890 3.486 2.465 3.913 0.023 18 0 "[ . 1 . 2]" 1
31 1 20 ILE MG 1 110 TYR QD 3.570 . 3.570 2.689 2.031 3.326 . 0 0 "[ . 1 . 2]" 1
32 1 16 ILE MD 1 45 TYR QD 4.570 . 4.570 4.302 3.920 4.622 0.052 16 0 "[ . 1 . 2]" 1
33 1 45 TYR QD 1 46 LEU MD1 4.980 . 4.980 4.934 4.650 5.016 0.036 14 0 "[ . 1 . 2]" 1
34 1 6 LEU MD2 1 10 PHE QD 5.000 . 5.000 3.376 2.023 5.017 0.017 13 0 "[ . 1 . 2]" 1
35 1 16 ILE MD 1 45 TYR QE 3.540 . 3.540 2.471 2.117 2.868 . 0 0 "[ . 1 . 2]" 1
36 1 16 ILE MD 1 61 ASN HD21 5.020 . 5.020 4.900 4.514 5.077 0.057 18 0 "[ . 1 . 2]" 1
37 1 6 LEU MD1 1 10 PHE QE 4.120 . 4.120 3.584 2.201 4.170 0.050 19 0 "[ . 1 . 2]" 1
38 1 6 LEU MD1 1 10 PHE QD 5.000 . 5.000 3.348 2.133 5.024 0.024 16 0 "[ . 1 . 2]" 1
39 1 73 LEU MD1 1 110 TYR QD 4.800 . 4.800 2.973 2.086 3.597 . 0 0 "[ . 1 . 2]" 1
40 1 73 LEU MD1 1 110 TYR QE 3.630 . 3.630 2.270 1.836 3.144 . 0 0 "[ . 1 . 2]" 1
41 1 110 TYR QD 1 111 LEU MD1 4.230 . 4.230 3.452 2.344 4.241 0.011 18 0 "[ . 1 . 2]" 1
42 1 45 TYR QD 1 46 LEU MD2 3.290 . 3.290 2.932 2.810 3.095 . 0 0 "[ . 1 . 2]" 1
43 1 45 TYR QE 1 46 LEU MD2 4.110 . 4.110 4.101 3.845 4.189 0.079 5 0 "[ . 1 . 2]" 1
44 1 110 TYR QD 1 111 LEU MD2 4.190 . 4.190 3.797 2.390 4.323 0.133 18 0 "[ . 1 . 2]" 1
45 1 73 LEU MD2 1 110 TYR QD 4.800 . 4.800 4.290 3.471 4.813 0.013 1 0 "[ . 1 . 2]" 1
46 1 73 LEU MD2 1 110 TYR QE 3.630 . 3.630 3.552 2.742 3.918 0.288 17 0 "[ . 1 . 2]" 1
47 1 79 VAL MG2 1 110 TYR QD 4.030 . 4.030 3.158 1.939 4.052 0.022 3 0 "[ . 1 . 2]" 1
48 1 45 TYR QD 1 49 ILE MD 4.510 . 4.510 3.266 2.962 4.434 . 0 0 "[ . 1 . 2]" 1
49 1 79 VAL MG1 1 110 TYR QD 4.030 . 4.030 3.060 1.781 4.076 0.046 7 0 "[ . 1 . 2]" 1
50 1 45 TYR QD 1 49 ILE MG 3.930 . 3.930 3.207 2.992 3.483 . 0 0 "[ . 1 . 2]" 1
51 1 45 TYR QD 1 66 ILE MD 3.630 . 3.630 3.518 3.314 3.639 0.009 8 0 "[ . 1 . 2]" 1
52 1 44 TRP HB3 1 44 TRP HD1 3.260 . 3.260 2.629 2.599 2.656 . 0 0 "[ . 1 . 2]" 1
53 1 43 ASN HB3 1 44 TRP HD1 4.520 . 4.520 4.145 3.984 4.534 0.014 15 0 "[ . 1 . 2]" 1
54 1 23 HIS HB2 1 44 TRP HZ2 3.970 . 3.970 2.186 1.932 2.817 . 0 0 "[ . 1 . 2]" 1
55 1 23 HIS HB3 1 44 TRP HZ2 4.130 . 4.130 3.624 2.977 4.139 0.009 20 0 "[ . 1 . 2]" 1
56 1 61 ASN HB3 1 61 ASN HD22 3.610 . 3.610 3.460 3.446 3.489 . 0 0 "[ . 1 . 2]" 1
57 1 23 HIS HB2 1 44 TRP HH2 4.060 . 4.060 3.381 2.784 3.783 . 0 0 "[ . 1 . 2]" 1
58 1 23 HIS HB3 1 44 TRP HH2 5.180 . 5.180 4.992 4.319 5.226 0.046 10 0 "[ . 1 . 2]" 1
59 1 19 LEU HB3 1 45 TYR QE 3.950 . 3.950 3.844 3.505 4.023 0.073 16 0 "[ . 1 . 2]" 1
60 1 19 LEU HB2 1 45 TYR QE 3.670 . 3.670 2.813 2.346 3.434 . 0 0 "[ . 1 . 2]" 1
61 1 19 LEU HB3 1 45 TYR QD 4.560 . 4.560 4.448 4.097 4.609 0.049 18 0 "[ . 1 . 2]" 1
62 1 19 LEU HB2 1 45 TYR QD 3.860 . 3.860 3.265 2.803 3.642 . 0 0 "[ . 1 . 2]" 1
63 1 19 LEU HG 1 45 TYR QD 4.400 . 4.400 3.790 2.561 4.481 0.081 12 0 "[ . 1 . 2]" 1
64 1 96 GLU QG 1 98 TYR QE 4.250 . 4.250 3.308 2.222 4.313 0.063 7 0 "[ . 1 . 2]" 1
65 1 98 TYR QE 1 99 GLU QG 4.200 . 4.200 2.929 2.261 4.017 . 0 0 "[ . 1 . 2]" 1
66 1 98 TYR QD 1 99 GLU QG 3.850 . 3.850 3.167 2.658 3.909 0.059 3 0 "[ . 1 . 2]" 1
67 1 19 LEU HG 1 44 TRP HZ2 4.860 . 4.860 3.246 2.101 4.890 0.030 1 0 "[ . 1 . 2]" 1
68 1 72 ARG QB 1 76 TYR QD 4.000 . 4.000 3.403 2.646 3.906 . 0 0 "[ . 1 . 2]" 1
69 1 96 GLU QG 1 98 TYR QD 4.170 . 4.170 3.654 2.881 4.270 0.100 18 0 "[ . 1 . 2]" 1
70 1 61 ASN HD21 1 62 LYS QB 4.200 . 4.200 3.630 2.512 4.176 . 0 0 "[ . 1 . 2]" 1
71 1 19 LEU HB2 1 44 TRP HH2 4.160 . 4.160 3.770 3.028 4.250 0.090 15 0 "[ . 1 . 2]" 1
72 1 19 LEU HG 1 44 TRP HH2 4.570 . 4.570 3.339 2.288 4.670 0.100 9 0 "[ . 1 . 2]" 1
73 1 74 THR HA 1 80 LEU H 4.340 . 4.340 4.194 2.925 4.419 0.079 18 0 "[ . 1 . 2]" 1
74 1 102 PRO HA 1 103 TYR QD 4.640 . 4.640 3.751 2.805 4.592 . 0 0 "[ . 1 . 2]" 1
75 1 71 HIS HA 1 71 HIS HD1 3.780 . 3.780 2.949 2.751 3.135 . 0 0 "[ . 1 . 2]" 1
76 1 110 TYR HA 1 110 TYR QD 3.350 . 3.350 2.644 1.867 3.083 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU HA 1 10 PHE QD 4.230 . 4.230 3.079 2.142 4.295 0.065 1 0 "[ . 1 . 2]" 1
78 1 6 LEU HA 1 10 PHE QE 4.080 . 4.080 3.592 2.149 4.223 0.143 1 0 "[ . 1 . 2]" 1
79 1 96 GLU HA 1 98 TYR QD 4.540 . 4.540 3.972 2.607 4.575 0.035 11 0 "[ . 1 . 2]" 1
80 1 40 GLU HA 1 43 ASN HD21 3.590 . 3.590 3.092 2.695 3.614 0.024 6 0 "[ . 1 . 2]" 1
81 1 73 LEU HA 1 110 TYR QE 4.270 . 4.270 3.503 2.013 4.318 0.048 13 0 "[ . 1 . 2]" 1
82 1 19 LEU HA 1 44 TRP HH2 4.010 . 4.010 3.441 2.898 4.028 0.018 2 0 "[ . 1 . 2]" 1
83 1 19 LEU HA 1 44 TRP HZ2 4.700 . 4.700 4.664 4.061 4.831 0.131 10 0 "[ . 1 . 2]" 1
84 1 68 LYS HA 1 71 HIS HD2 3.940 . 3.940 3.842 3.430 4.013 0.073 7 0 "[ . 1 . 2]" 1
85 1 98 TYR QE 1 99 GLU HA 4.380 . 4.380 4.306 3.433 4.491 0.111 13 0 "[ . 1 . 2]" 1
86 1 23 HIS HA 1 44 TRP HZ2 4.860 . 4.860 3.966 3.242 4.880 0.020 20 0 "[ . 1 . 2]" 1
87 1 98 TYR QD 1 99 GLU HA 3.810 . 3.810 3.315 2.584 3.844 0.034 16 0 "[ . 1 . 2]" 1
88 1 110 TYR QD 1 111 LEU HA 4.580 . 4.580 4.207 2.901 4.641 0.061 7 0 "[ . 1 . 2]" 1
89 1 72 ARG HA 1 76 TYR QD 3.580 . 3.580 1.995 1.808 2.999 . 0 0 "[ . 1 . 2]" 1
90 1 72 ARG HA 1 76 TYR QE 3.950 . 3.950 3.130 2.528 3.655 . 0 0 "[ . 1 . 2]" 1
91 1 71 HIS HD2 1 72 ARG HA 4.490 . 4.490 3.802 3.431 4.493 0.003 11 0 "[ . 1 . 2]" 1
92 1 61 ASN HD22 1 62 LYS HA 3.490 . 3.490 3.559 3.511 3.600 0.110 11 0 "[ . 1 . 2]" 1
93 1 45 TYR QD 1 66 ILE HA 5.210 . 5.210 5.239 5.171 5.293 0.083 17 0 "[ . 1 . 2]" 1
94 1 16 ILE HA 1 45 TYR QD 5.180 . 5.180 4.872 4.607 5.061 . 0 0 "[ . 1 . 2]" 1
95 1 45 TYR QD 1 46 LEU HA 5.450 . 5.450 4.244 4.078 4.415 . 0 0 "[ . 1 . 2]" 1
96 1 78 HIS HA 1 78 HIS HD2 4.130 . 4.130 3.210 2.516 4.145 0.015 18 0 "[ . 1 . 2]" 1
97 1 71 HIS HE1 1 76 TYR QE 4.720 . 4.720 4.556 3.688 4.766 0.046 8 0 "[ . 1 . 2]" 1
98 1 44 TRP HD1 1 45 TYR H 4.540 . 4.540 4.253 4.082 4.472 . 0 0 "[ . 1 . 2]" 1
99 1 71 HIS HE1 1 75 HIS HD2 4.620 . 4.620 4.079 2.508 4.633 0.013 1 0 "[ . 1 . 2]" 1
100 1 45 TYR QE 1 62 LYS HA 4.250 . 4.250 3.993 3.670 4.217 . 0 0 "[ . 1 . 2]" 1
101 1 16 ILE HA 1 45 TYR QE 3.760 . 3.760 3.611 3.400 3.784 0.024 12 0 "[ . 1 . 2]" 1
102 1 61 ASN HD21 1 62 LYS HA 3.960 . 3.960 3.211 3.003 3.517 . 0 0 "[ . 1 . 2]" 1
103 1 104 LEU HA 1 104 LEU HG 3.880 . 3.880 3.374 3.063 3.818 . 0 0 "[ . 1 . 2]" 1
104 1 104 LEU HA 1 104 LEU QD 3.170 . 3.170 2.037 1.932 2.139 . 0 0 "[ . 1 . 2]" 1
105 1 82 GLU HB3 1 104 LEU HA 4.140 . 4.140 3.555 2.996 3.973 . 0 0 "[ . 1 . 2]" 1
106 1 82 GLU QG 1 104 LEU HA 5.280 . 5.280 5.167 4.798 5.346 0.066 3 0 "[ . 1 . 2]" 1
107 1 104 LEU HA 1 105 VAL HB 5.500 . 5.500 4.869 4.511 5.099 . 0 0 "[ . 1 . 2]" 1
108 1 44 TRP HH2 1 45 TYR QD 4.050 . 4.050 4.012 3.750 4.107 0.057 3 0 "[ . 1 . 2]" 1
109 1 45 TYR QD 1 46 LEU H 4.580 . 4.580 3.916 3.744 4.106 . 0 0 "[ . 1 . 2]" 1
110 1 44 TRP H 1 44 TRP HD1 4.450 . 4.450 2.915 2.801 3.075 . 0 0 "[ . 1 . 2]" 1
111 1 43 ASN H 1 45 TYR HB3 5.260 . 5.260 4.920 4.826 5.011 . 0 0 "[ . 1 . 2]" 1
112 1 53 ILE MD 1 54 ASP H 3.750 . 3.750 3.745 3.612 3.800 0.050 15 0 "[ . 1 . 2]" 1
113 1 20 ILE H 1 22 LEU MD1 5.250 . 5.250 5.305 5.263 5.372 0.122 13 0 "[ . 1 . 2]" 1
114 1 80 LEU HA 1 106 VAL MG2 4.000 . 4.000 3.185 2.290 4.004 0.004 1 0 "[ . 1 . 2]" 1
115 1 82 GLU HA 1 104 LEU HA 3.760 . 3.760 2.775 2.422 3.663 . 0 0 "[ . 1 . 2]" 1
116 1 44 TRP HH2 1 45 TYR QE 5.370 . 5.370 5.173 4.872 5.356 . 0 0 "[ . 1 . 2]" 1
117 1 45 TYR QD 1 66 ILE HG12 3.860 . 3.860 2.951 2.802 3.121 . 0 0 "[ . 1 . 2]" 1
118 1 45 TYR QD 1 46 LEU HG 4.450 . 4.450 3.954 3.575 4.193 . 0 0 "[ . 1 . 2]" 1
119 1 6 LEU MD2 1 10 PHE HZ 5.360 . 5.360 4.556 2.565 5.411 0.051 8 0 "[ . 1 . 2]" 1
120 1 6 LEU MD1 1 10 PHE HZ 5.360 . 5.360 4.671 3.528 5.417 0.057 3 0 "[ . 1 . 2]" 1
121 1 73 LEU HG 1 80 LEU H 4.530 . 4.530 4.297 3.341 4.672 0.142 17 0 "[ . 1 . 2]" 1
122 1 72 ARG QG 1 76 TYR QE 4.020 . 4.020 3.860 3.191 4.102 0.082 3 0 "[ . 1 . 2]" 1
123 1 12 GLU QG 1 61 ASN HD22 4.120 . 4.120 2.313 1.657 3.950 . 0 0 "[ . 1 . 2]" 1
124 1 79 VAL HB 1 80 LEU H 4.750 . 4.750 4.340 4.115 4.437 . 0 0 "[ . 1 . 2]" 1
125 1 45 TYR QD 1 62 LYS HA 5.500 . 5.500 5.583 5.511 5.652 0.152 5 0 "[ . 1 . 2]" 1
126 1 53 ILE HB 1 54 ASP H 4.510 . 4.510 4.347 4.146 4.436 . 0 0 "[ . 1 . 2]" 1
127 1 82 GLU HA 1 82 GLU QG 3.690 . 3.690 3.361 3.288 3.528 . 0 0 "[ . 1 . 2]" 1
128 1 81 ILE HB 1 82 GLU HA 4.680 . 4.680 4.543 4.209 4.716 0.036 3 0 "[ . 1 . 2]" 1
129 1 44 TRP HB3 1 44 TRP HE1 4.820 . 4.820 4.786 4.755 4.814 . 0 0 "[ . 1 . 2]" 1
130 1 113 GLU HB3 1 114 ASP H 4.070 . 4.070 2.889 1.714 4.118 0.048 1 0 "[ . 1 . 2]" 1
131 1 114 ASP H 1 114 ASP HB3 3.830 . 3.830 3.046 2.593 3.793 . 0 0 "[ . 1 . 2]" 1
132 1 113 GLU QG 1 114 ASP H 4.600 . 4.600 3.779 2.581 4.520 . 0 0 "[ . 1 . 2]" 1
133 1 113 GLU HB2 1 114 ASP H 4.070 . 4.070 3.168 1.921 4.075 0.005 8 0 "[ . 1 . 2]" 1
134 1 112 LEU QB 1 114 ASP H 4.600 . 4.600 3.194 2.417 4.640 0.040 19 0 "[ . 1 . 2]" 1
135 1 107 ASN H 1 107 ASN HB2 4.170 . 4.170 2.692 2.273 4.069 . 0 0 "[ . 1 . 2]" 1
136 1 107 ASN H 1 107 ASN HB3 4.170 . 4.170 2.993 2.269 3.663 . 0 0 "[ . 1 . 2]" 1
137 1 106 VAL HB 1 107 ASN H 4.490 . 4.490 4.049 3.872 4.458 . 0 0 "[ . 1 . 2]" 1
138 1 81 ILE MD 1 107 ASN H 4.050 . 4.050 3.047 1.967 4.063 0.013 18 0 "[ . 1 . 2]" 1
139 1 106 VAL MG2 1 107 ASN H 3.670 . 3.670 2.330 1.904 3.260 . 0 0 "[ . 1 . 2]" 1
140 1 80 LEU HA 1 107 ASN H 4.300 . 4.300 3.562 3.173 4.063 . 0 0 "[ . 1 . 2]" 1
141 1 82 GLU QG 1 83 LEU H 4.670 . 4.670 4.250 3.972 4.745 0.075 18 0 "[ . 1 . 2]" 1
142 1 82 GLU HB3 1 83 LEU H 4.150 . 4.150 4.030 3.716 4.225 0.075 14 0 "[ . 1 . 2]" 1
143 1 83 LEU H 1 103 TYR H 3.890 . 3.890 3.494 2.786 4.017 0.127 15 0 "[ . 1 . 2]" 1
144 1 83 LEU H 1 102 PRO QG 4.760 . 4.760 4.260 3.013 4.811 0.051 6 0 "[ . 1 . 2]" 1
145 1 82 GLU HA 1 83 LEU H 3.490 . 3.490 2.105 1.882 2.413 . 0 0 "[ . 1 . 2]" 1
146 1 83 LEU H 1 83 LEU QB 3.670 . 3.670 2.519 2.329 3.489 . 0 0 "[ . 1 . 2]" 1
147 1 81 ILE MG 1 83 LEU H 5.040 . 5.040 4.170 3.123 4.835 . 0 0 "[ . 1 . 2]" 1
148 1 83 LEU H 1 104 LEU HA 5.500 . 5.500 3.938 3.228 5.514 0.014 1 0 "[ . 1 . 2]" 1
149 1 53 ILE HA 1 54 ASP H 3.040 . 3.040 2.069 1.998 2.126 . 0 0 "[ . 1 . 2]" 1
150 1 53 ILE MG 1 54 ASP H 3.410 . 3.410 3.199 2.878 3.420 0.010 12 0 "[ . 1 . 2]" 1
151 1 52 GLU QG 1 54 ASP H 4.980 . 4.980 4.769 4.350 5.058 0.078 8 0 "[ . 1 . 2]" 1
152 1 54 ASP H 1 58 GLU QB 4.030 . 4.030 3.486 2.848 4.034 0.004 10 0 "[ . 1 . 2]" 1
153 1 3 LYS QG 1 4 ALA H 4.460 . 4.460 3.853 2.418 4.560 0.100 17 0 "[ . 1 . 2]" 1
154 1 110 TYR HB2 1 111 LEU H 4.380 . 4.380 4.007 3.439 4.419 0.039 20 0 "[ . 1 . 2]" 1
155 1 111 LEU H 1 112 LEU H 5.220 . 5.220 4.160 2.252 4.606 . 0 0 "[ . 1 . 2]" 1
156 1 110 TYR HA 1 111 LEU H 3.510 . 3.510 2.427 2.025 3.430 . 0 0 "[ . 1 . 2]" 1
157 1 110 TYR HB3 1 111 LEU H 4.380 . 4.380 3.556 1.948 4.266 . 0 0 "[ . 1 . 2]" 1
158 1 111 LEU H 1 111 LEU HB3 4.030 . 4.030 3.221 2.823 3.567 . 0 0 "[ . 1 . 2]" 1
159 1 111 LEU H 1 111 LEU HG 4.340 . 4.340 3.990 3.637 4.370 0.030 14 0 "[ . 1 . 2]" 1
160 1 111 LEU H 1 111 LEU MD1 4.320 . 4.320 1.829 1.588 2.185 . 0 0 "[ . 1 . 2]" 1
161 1 111 LEU H 1 111 LEU MD2 4.570 . 4.570 2.465 1.750 3.098 . 0 0 "[ . 1 . 2]" 1
162 1 41 LEU H 1 70 ILE MD 5.360 . 5.360 4.724 4.236 5.211 . 0 0 "[ . 1 . 2]" 1
163 1 41 LEU H 1 42 VAL H 3.800 . 3.800 2.760 2.537 2.890 . 0 0 "[ . 1 . 2]" 1
164 1 40 GLU QG 1 41 LEU H 4.160 . 4.160 3.749 3.330 4.038 . 0 0 "[ . 1 . 2]" 1
165 1 40 GLU QB 1 41 LEU H 3.680 . 3.680 2.600 2.331 2.801 . 0 0 "[ . 1 . 2]" 1
166 1 41 LEU H 1 41 LEU QB 3.890 . 3.890 2.340 2.170 2.621 . 0 0 "[ . 1 . 2]" 1
167 1 41 LEU H 1 43 ASN H 4.380 . 4.380 3.861 3.687 4.027 . 0 0 "[ . 1 . 2]" 1
168 1 38 ARG H 1 40 GLU H 4.580 . 4.580 4.099 3.809 4.409 . 0 0 "[ . 1 . 2]" 1
169 1 38 ARG H 1 104 LEU HG 5.500 . 5.500 4.455 3.663 5.506 0.006 10 0 "[ . 1 . 2]" 1
170 1 38 ARG H 1 38 ARG QB 3.680 . 3.680 2.538 2.213 2.806 . 0 0 "[ . 1 . 2]" 1
171 1 85 GLN HB3 1 86 ALA H 4.630 . 4.630 3.519 2.007 4.430 . 0 0 "[ . 1 . 2]" 1
172 1 85 GLN HB2 1 86 ALA H 4.630 . 4.630 3.978 3.413 4.358 . 0 0 "[ . 1 . 2]" 1
173 1 85 GLN QG 1 86 ALA H 4.470 . 4.470 3.255 2.265 4.287 . 0 0 "[ . 1 . 2]" 1
174 1 84 THR HA 1 86 ALA H 4.360 . 4.360 3.984 3.155 4.493 0.133 13 0 "[ . 1 . 2]" 1
175 1 12 GLU H 1 12 GLU QG 4.160 . 4.160 2.538 2.029 3.234 . 0 0 "[ . 1 . 2]" 1
176 1 92 THR MG 1 93 GLU H 4.350 . 4.350 3.383 2.455 4.224 . 0 0 "[ . 1 . 2]" 1
177 1 92 THR HB 1 93 GLU H 3.990 . 3.990 3.461 2.185 4.078 0.088 6 0 "[ . 1 . 2]" 1
178 1 93 GLU H 1 93 GLU QG 4.060 . 4.060 3.030 1.962 4.090 0.030 5 0 "[ . 1 . 2]" 1
179 1 93 GLU H 1 93 GLU HB2 4.030 . 4.030 2.670 2.390 3.613 . 0 0 "[ . 1 . 2]" 1
180 1 93 GLU H 1 93 GLU HB3 4.030 . 4.030 3.301 2.416 4.065 0.035 3 0 "[ . 1 . 2]" 1
181 1 40 GLU H 1 41 LEU HA 5.500 . 5.500 5.224 5.074 5.402 . 0 0 "[ . 1 . 2]" 1
182 1 39 SER H 1 40 GLU H 4.170 . 4.170 2.576 2.391 2.762 . 0 0 "[ . 1 . 2]" 1
183 1 40 GLU H 1 41 LEU H 3.500 . 3.500 2.598 2.423 2.835 . 0 0 "[ . 1 . 2]" 1
184 1 40 GLU H 1 43 ASN HB3 5.030 . 5.030 4.853 4.451 5.035 0.005 17 0 "[ . 1 . 2]" 1
185 1 40 GLU H 1 40 GLU QG 4.060 . 4.060 3.984 3.842 4.060 0.000 3 0 "[ . 1 . 2]" 1
186 1 40 GLU H 1 40 GLU QB 3.570 . 3.570 2.207 2.051 2.266 . 0 0 "[ . 1 . 2]" 1
187 1 98 TYR H 1 98 TYR HB2 3.650 . 3.650 3.663 3.570 3.756 0.106 18 0 "[ . 1 . 2]" 1
188 1 98 TYR H 1 98 TYR QD 4.560 . 4.560 2.513 1.824 2.988 . 0 0 "[ . 1 . 2]" 1
189 1 97 SER QB 1 98 TYR H 4.150 . 4.150 3.727 2.759 4.017 . 0 0 "[ . 1 . 2]" 1
190 1 98 TYR H 1 98 TYR HB3 3.650 . 3.650 2.701 2.374 2.959 . 0 0 "[ . 1 . 2]" 1
191 1 96 GLU H 1 96 GLU QG 4.040 . 4.040 2.592 1.792 3.646 . 0 0 "[ . 1 . 2]" 1
192 1 96 GLU H 1 96 GLU HB3 4.000 . 4.000 3.583 2.899 4.064 0.064 14 0 "[ . 1 . 2]" 1
193 1 96 GLU H 1 96 GLU HB2 4.000 . 4.000 2.864 2.292 3.687 . 0 0 "[ . 1 . 2]" 1
194 1 56 GLU HA 1 59 LEU H 3.540 . 3.540 3.293 3.122 3.557 0.017 8 0 "[ . 1 . 2]" 1
195 1 59 LEU H 1 61 ASN HB3 5.050 . 5.050 4.822 4.592 5.071 0.021 6 0 "[ . 1 . 2]" 1
196 1 56 GLU QG 1 59 LEU H 5.320 . 5.320 4.638 4.402 5.102 . 0 0 "[ . 1 . 2]" 1
197 1 58 GLU QB 1 59 LEU H 3.050 . 3.050 2.481 2.363 2.575 . 0 0 "[ . 1 . 2]" 1
198 1 59 LEU H 1 59 LEU QB 3.120 . 3.120 2.245 2.217 2.306 . 0 0 "[ . 1 . 2]" 1
199 1 53 ILE MG 1 59 LEU H 3.180 . 3.180 2.579 2.442 2.759 . 0 0 "[ . 1 . 2]" 1
200 1 57 GLU H 1 59 LEU H 5.010 . 5.010 4.186 4.032 4.276 . 0 0 "[ . 1 . 2]" 1
201 1 59 LEU H 1 62 LYS H 5.500 . 5.500 4.657 4.483 4.948 . 0 0 "[ . 1 . 2]" 1
202 1 55 SER H 1 59 LEU H 4.660 . 4.660 4.523 4.242 4.704 0.044 15 0 "[ . 1 . 2]" 1
203 1 58 GLU HA 1 59 LEU H 3.570 . 3.570 3.494 3.462 3.525 . 0 0 "[ . 1 . 2]" 1
204 1 113 GLU H 1 113 GLU QG 4.270 . 4.270 3.394 2.090 4.295 0.025 9 0 "[ . 1 . 2]" 1
205 1 113 GLU H 1 114 ASP H 3.660 . 3.660 2.522 1.935 3.096 . 0 0 "[ . 1 . 2]" 1
206 1 113 GLU H 1 113 GLU HB3 3.820 . 3.820 3.133 2.373 3.833 0.013 13 0 "[ . 1 . 2]" 1
207 1 113 GLU H 1 113 GLU HB2 3.820 . 3.820 2.712 2.333 3.601 . 0 0 "[ . 1 . 2]" 1
208 1 112 LEU QB 1 113 GLU H 3.270 . 3.270 2.233 1.775 3.275 0.005 2 0 "[ . 1 . 2]" 1
209 1 81 ILE H 1 82 GLU H 4.970 . 4.970 4.227 4.035 4.407 . 0 0 "[ . 1 . 2]" 1
210 1 82 GLU H 1 83 LEU H 5.300 . 5.300 4.286 3.943 4.419 . 0 0 "[ . 1 . 2]" 1
211 1 81 ILE HA 1 82 GLU H 3.070 . 3.070 2.191 2.092 2.300 . 0 0 "[ . 1 . 2]" 1
212 1 82 GLU H 1 82 GLU HB2 3.930 . 3.930 3.758 3.663 3.868 . 0 0 "[ . 1 . 2]" 1
213 1 81 ILE HB 1 82 GLU H 4.200 . 4.200 4.139 3.908 4.251 0.051 4 0 "[ . 1 . 2]" 1
214 1 81 ILE QG 1 82 GLU H 4.420 . 4.420 4.366 4.210 4.450 0.030 18 0 "[ . 1 . 2]" 1
215 1 81 ILE MG 1 82 GLU H 3.120 . 3.120 2.810 2.378 3.123 0.003 14 0 "[ . 1 . 2]" 1
216 1 97 SER HA 1 99 GLU H 3.990 . 3.990 3.408 2.974 4.126 0.136 8 0 "[ . 1 . 2]" 1
217 1 97 SER QB 1 99 GLU H 5.130 . 5.130 4.608 4.294 5.040 . 0 0 "[ . 1 . 2]" 1
218 1 103 TYR HB3 1 104 LEU H 4.560 . 4.560 3.332 2.217 3.948 . 0 0 "[ . 1 . 2]" 1
219 1 35 ALA MB 1 104 LEU H 4.660 . 4.660 3.694 2.766 4.672 0.012 20 0 "[ . 1 . 2]" 1
220 1 69 VAL H 1 70 ILE QG 4.670 . 4.670 4.282 4.005 4.419 . 0 0 "[ . 1 . 2]" 1
221 1 69 VAL H 1 69 VAL MG1 3.920 . 3.920 3.180 2.223 3.815 . 0 0 "[ . 1 . 2]" 1
222 1 104 LEU H 1 104 LEU QD 4.210 . 4.210 3.060 2.073 3.806 . 0 0 "[ . 1 . 2]" 1
223 1 67 GLU H 1 69 VAL H 4.460 . 4.460 4.148 3.992 4.304 . 0 0 "[ . 1 . 2]" 1
224 1 69 VAL H 1 71 HIS H 4.800 . 4.800 4.031 3.841 4.140 . 0 0 "[ . 1 . 2]" 1
225 1 104 LEU H 1 105 VAL H 5.190 . 5.190 4.342 4.158 4.499 . 0 0 "[ . 1 . 2]" 1
226 1 103 TYR HB2 1 104 LEU H 4.560 . 4.560 3.622 1.685 4.496 . 0 0 "[ . 1 . 2]" 1
227 1 68 LYS QG 1 69 VAL H 4.460 . 4.460 3.971 3.371 4.483 0.023 15 0 "[ . 1 . 2]" 1
228 1 69 VAL H 1 69 VAL HB 3.800 . 3.800 2.972 2.327 3.741 . 0 0 "[ . 1 . 2]" 1
229 1 69 VAL H 1 69 VAL MG2 3.920 . 3.920 2.287 2.169 2.419 . 0 0 "[ . 1 . 2]" 1
230 1 68 LYS H 1 69 VAL H 3.810 . 3.810 2.712 2.608 2.819 . 0 0 "[ . 1 . 2]" 1
231 1 35 ALA H 1 105 VAL MG2 5.500 . 5.500 4.181 2.174 5.134 . 0 0 "[ . 1 . 2]" 1
232 1 35 ALA H 1 35 ALA MB 3.070 . 3.070 2.458 2.166 2.882 . 0 0 "[ . 1 . 2]" 1
233 1 35 ALA H 1 105 VAL MG1 5.500 . 5.500 4.292 2.614 5.451 . 0 0 "[ . 1 . 2]" 1
234 1 33 GLU HA 1 35 ALA H 4.230 . 4.230 3.740 3.024 4.373 0.143 1 0 "[ . 1 . 2]" 1
235 1 34 SER QB 1 35 ALA H 4.070 . 4.070 3.243 2.059 4.028 . 0 0 "[ . 1 . 2]" 1
236 1 47 LYS H 1 50 GLU H 4.860 . 4.860 4.844 4.724 4.919 0.059 1 0 "[ . 1 . 2]" 1
237 1 46 LEU HA 1 50 GLU H 4.390 . 4.390 4.216 3.966 4.401 0.011 11 0 "[ . 1 . 2]" 1
238 1 50 GLU H 1 59 LEU QD 4.760 . 4.760 4.468 3.993 4.798 0.038 15 0 "[ . 1 . 2]" 1
239 1 49 ILE MD 1 50 GLU H 4.460 . 4.460 4.314 2.849 4.522 0.062 15 0 "[ . 1 . 2]" 1
240 1 50 GLU H 1 51 SER H 3.970 . 3.970 2.797 2.599 3.018 . 0 0 "[ . 1 . 2]" 1
241 1 48 GLU HA 1 50 GLU H 4.200 . 4.200 4.046 3.620 4.229 0.029 6 0 "[ . 1 . 2]" 1
242 1 50 GLU H 1 50 GLU QG 3.090 . 3.090 2.439 2.232 2.776 . 0 0 "[ . 1 . 2]" 1
243 1 50 GLU H 1 50 GLU QB 2.950 . 2.950 2.347 2.209 2.499 . 0 0 "[ . 1 . 2]" 1
244 1 49 ILE HB 1 50 GLU H 4.230 . 4.230 4.155 3.926 4.247 0.017 10 0 "[ . 1 . 2]" 1
245 1 48 GLU QB 1 50 GLU H 4.510 . 4.510 4.474 4.322 4.647 0.137 13 0 "[ . 1 . 2]" 1
246 1 49 ILE MG 1 50 GLU H 4.210 . 4.210 4.148 4.030 4.224 0.014 1 0 "[ . 1 . 2]" 1
247 1 98 TYR QD 1 99 GLU H 4.560 . 4.560 3.393 2.943 3.648 . 0 0 "[ . 1 . 2]" 1
248 1 98 TYR HA 1 99 GLU H 3.510 . 3.510 3.366 3.164 3.495 . 0 0 "[ . 1 . 2]" 1
249 1 82 GLU H 1 82 GLU QG 3.320 . 3.320 2.201 2.000 2.468 . 0 0 "[ . 1 . 2]" 1
250 1 99 GLU H 1 99 GLU QG 3.700 . 3.700 2.358 1.867 3.015 . 0 0 "[ . 1 . 2]" 1
251 1 99 GLU H 1 99 GLU HB2 3.620 . 3.620 2.690 2.258 3.627 0.007 20 0 "[ . 1 . 2]" 1
252 1 98 TYR HB2 1 99 GLU H 4.320 . 4.320 4.094 3.799 4.196 . 0 0 "[ . 1 . 2]" 1
253 1 71 HIS H 1 72 ARG HA 5.390 . 5.390 5.339 5.227 5.394 0.004 5 0 "[ . 1 . 2]" 1
254 1 68 LYS HA 1 71 HIS H 4.020 . 4.020 3.406 2.952 3.889 . 0 0 "[ . 1 . 2]" 1
255 1 71 HIS H 1 71 HIS HB3 4.020 . 4.020 2.393 2.323 2.445 . 0 0 "[ . 1 . 2]" 1
256 1 71 HIS H 1 71 HIS HB2 4.020 . 4.020 2.648 2.518 2.829 . 0 0 "[ . 1 . 2]" 1
257 1 70 ILE MG 1 71 HIS H 3.640 . 3.640 3.410 3.307 3.807 0.167 14 0 "[ . 1 . 2]" 1
258 1 43 ASN HB3 1 44 TRP H 4.040 . 4.040 2.203 2.092 2.366 . 0 0 "[ . 1 . 2]" 1
259 1 44 TRP H 1 44 TRP HB2 3.950 . 3.950 3.708 3.685 3.733 . 0 0 "[ . 1 . 2]" 1
260 1 43 ASN HB2 1 44 TRP H 4.060 . 4.060 3.653 3.532 3.817 . 0 0 "[ . 1 . 2]" 1
261 1 44 TRP H 1 44 TRP HB3 4.040 . 4.040 2.665 2.584 2.759 . 0 0 "[ . 1 . 2]" 1
262 1 85 GLN H 1 85 GLN HB3 3.890 . 3.890 2.768 2.382 3.605 . 0 0 "[ . 1 . 2]" 1
263 1 85 GLN H 1 85 GLN HB2 3.890 . 3.890 3.167 2.247 3.998 0.108 1 0 "[ . 1 . 2]" 1
264 1 84 THR MG 1 85 GLN H 4.190 . 4.190 3.703 2.534 4.128 . 0 0 "[ . 1 . 2]" 1
265 1 85 GLN H 1 86 ALA H 4.320 . 4.320 2.684 1.459 3.551 . 0 0 "[ . 1 . 2]" 1
266 1 84 THR HA 1 85 GLN H 3.240 . 3.240 2.393 1.977 3.353 0.113 19 0 "[ . 1 . 2]" 1
267 1 84 THR HB 1 85 GLN H 4.290 . 4.290 3.388 2.074 4.051 . 0 0 "[ . 1 . 2]" 1
268 1 85 GLN H 1 85 GLN QG 4.250 . 4.250 3.215 1.987 4.362 0.112 19 0 "[ . 1 . 2]" 1
269 1 65 ILE H 1 68 LYS H 4.610 . 4.610 4.612 4.548 4.682 0.072 13 0 "[ . 1 . 2]" 1
270 1 67 GLU QB 1 68 LYS H 3.700 . 3.700 2.604 2.167 3.600 . 0 0 "[ . 1 . 2]" 1
271 1 68 LYS H 1 68 LYS QB 3.830 . 3.830 2.336 2.225 2.549 . 0 0 "[ . 1 . 2]" 1
272 1 67 GLU H 1 68 LYS H 3.560 . 3.560 2.674 2.480 2.807 . 0 0 "[ . 1 . 2]" 1
273 1 68 LYS H 1 68 LYS QE 5.130 . 5.130 4.430 3.670 4.886 . 0 0 "[ . 1 . 2]" 1
274 1 68 LYS H 1 68 LYS QG 4.080 . 4.080 3.272 2.405 4.087 0.007 8 0 "[ . 1 . 2]" 1
275 1 67 GLU QG 1 68 LYS H 3.720 . 3.720 3.379 2.371 3.839 0.119 13 0 "[ . 1 . 2]" 1
276 1 66 ILE MG 1 68 LYS H 4.620 . 4.620 4.443 4.240 4.578 . 0 0 "[ . 1 . 2]" 1
277 1 87 GLY QA 1 88 LEU H 3.180 . 3.180 2.726 2.347 2.898 . 0 0 "[ . 1 . 2]" 1
278 1 87 GLY H 1 88 LEU H 4.060 . 4.060 2.613 1.976 3.662 . 0 0 "[ . 1 . 2]" 1
279 1 88 LEU H 1 89 LYS H 3.940 . 3.940 2.648 2.090 3.990 0.050 17 0 "[ . 1 . 2]" 1
280 1 88 LEU H 1 88 LEU QB 3.370 . 3.370 2.554 2.327 3.246 . 0 0 "[ . 1 . 2]" 1
281 1 69 VAL HA 1 72 ARG H 4.280 . 4.280 3.181 2.918 3.456 . 0 0 "[ . 1 . 2]" 1
282 1 72 ARG H 1 72 ARG QG 3.980 . 3.980 3.941 3.878 3.996 0.016 2 0 "[ . 1 . 2]" 1
283 1 71 HIS H 1 72 ARG H 3.750 . 3.750 2.765 2.664 2.851 . 0 0 "[ . 1 . 2]" 1
284 1 68 LYS HA 1 72 ARG H 4.180 . 4.180 3.864 3.624 4.081 . 0 0 "[ . 1 . 2]" 1
285 1 69 VAL HB 1 72 ARG H 5.500 . 5.500 5.367 4.955 5.563 0.063 16 0 "[ . 1 . 2]" 1
286 1 71 HIS HB2 1 72 ARG H 4.140 . 4.140 3.905 3.782 4.041 . 0 0 "[ . 1 . 2]" 1
287 1 72 ARG H 1 72 ARG QB 3.630 . 3.630 2.230 2.165 2.291 . 0 0 "[ . 1 . 2]" 1
288 1 67 GLU H 1 67 GLU QG 3.990 . 3.990 3.518 2.108 4.017 0.027 15 0 "[ . 1 . 2]" 1
289 1 67 GLU H 1 67 GLU QB 3.460 . 3.460 2.305 2.179 2.705 . 0 0 "[ . 1 . 2]" 1
290 1 42 VAL MG1 1 67 GLU H 4.740 . 4.740 4.477 4.057 4.861 0.121 14 0 "[ . 1 . 2]" 1
291 1 65 ILE HA 1 67 GLU H 4.510 . 4.510 4.452 4.278 4.588 0.078 14 0 "[ . 1 . 2]" 1
292 1 66 ILE HG12 1 67 GLU H 5.150 . 5.150 4.885 4.739 5.033 . 0 0 "[ . 1 . 2]" 1
293 1 64 ARG HA 1 67 GLU H 4.220 . 4.220 3.746 3.377 4.149 . 0 0 "[ . 1 . 2]" 1
294 1 106 VAL H 1 107 ASN H 4.830 . 4.830 4.407 4.062 4.507 . 0 0 "[ . 1 . 2]" 1
295 1 105 VAL HA 1 106 VAL H 3.480 . 3.480 2.292 2.130 2.418 . 0 0 "[ . 1 . 2]" 1
296 1 106 VAL H 1 106 VAL MG1 3.340 . 3.340 2.154 1.998 2.365 . 0 0 "[ . 1 . 2]" 1
297 1 105 VAL HB 1 106 VAL H 3.860 . 3.860 3.799 3.486 3.885 0.025 20 0 "[ . 1 . 2]" 1
298 1 106 VAL H 1 106 VAL HB 3.510 . 3.510 3.031 2.923 3.258 . 0 0 "[ . 1 . 2]" 1
299 1 24 LEU QB 1 106 VAL H 5.500 . 5.500 4.832 4.077 5.509 0.009 20 0 "[ . 1 . 2]" 1
300 1 73 LEU H 1 73 LEU HG 4.670 . 4.670 4.377 4.234 4.444 . 0 0 "[ . 1 . 2]" 1
301 1 70 ILE HA 1 73 LEU H 4.300 . 4.300 3.516 3.248 3.846 . 0 0 "[ . 1 . 2]" 1
302 1 73 LEU H 1 73 LEU MD1 5.010 . 5.010 4.036 3.665 4.163 . 0 0 "[ . 1 . 2]" 1
303 1 73 LEU H 1 73 LEU QB 3.540 . 3.540 2.105 1.982 2.162 . 0 0 "[ . 1 . 2]" 1
304 1 73 LEU H 1 73 LEU MD2 5.010 . 5.010 4.104 3.937 4.185 . 0 0 "[ . 1 . 2]" 1
305 1 63 LYS H 1 63 LYS QE 5.200 . 5.200 4.499 3.968 5.460 0.260 11 0 "[ . 1 . 2]" 1
306 1 61 ASN H 1 63 LYS H 4.580 . 4.580 4.176 3.965 4.300 . 0 0 "[ . 1 . 2]" 1
307 1 63 LYS H 1 63 LYS QB 3.360 . 3.360 2.269 1.991 2.491 . 0 0 "[ . 1 . 2]" 1
308 1 62 LYS QB 1 63 LYS H 3.650 . 3.650 2.564 2.241 2.949 . 0 0 "[ . 1 . 2]" 1
309 1 62 LYS H 1 63 LYS H 3.570 . 3.570 2.670 2.454 2.809 . 0 0 "[ . 1 . 2]" 1
310 1 59 LEU HG 1 63 LYS H 4.800 . 4.800 4.609 4.270 4.825 0.025 2 0 "[ . 1 . 2]" 1
311 1 46 LEU MD2 1 63 LYS H 3.910 . 3.910 3.543 3.239 3.916 0.006 5 0 "[ . 1 . 2]" 1
312 1 60 ILE HA 1 63 LYS H 4.160 . 4.160 3.599 3.392 3.769 . 0 0 "[ . 1 . 2]" 1
313 1 63 LYS H 1 66 ILE MG 4.440 . 4.440 3.934 3.795 4.031 . 0 0 "[ . 1 . 2]" 1
314 1 45 TYR H 1 47 LYS H 4.400 . 4.400 3.998 3.869 4.119 . 0 0 "[ . 1 . 2]" 1
315 1 44 TRP H 1 45 TYR H 3.950 . 3.950 2.527 2.477 2.583 . 0 0 "[ . 1 . 2]" 1
316 1 44 TRP HB2 1 45 TYR H 4.250 . 4.250 4.117 4.062 4.179 . 0 0 "[ . 1 . 2]" 1
317 1 45 TYR H 1 45 TYR HB2 3.850 . 3.850 2.472 2.431 2.544 . 0 0 "[ . 1 . 2]" 1
318 1 45 TYR H 1 45 TYR HB3 3.850 . 3.850 2.611 2.569 2.670 . 0 0 "[ . 1 . 2]" 1
319 1 45 TYR H 1 48 GLU H 4.840 . 4.840 4.722 4.596 4.841 0.001 9 0 "[ . 1 . 2]" 1
320 1 42 VAL HA 1 45 TYR H 4.320 . 4.320 3.558 3.246 3.746 . 0 0 "[ . 1 . 2]" 1
321 1 109 ASN H 1 110 TYR H 3.750 . 3.750 3.016 2.065 3.806 0.056 1 0 "[ . 1 . 2]" 1
322 1 110 TYR H 1 110 TYR HB3 3.820 . 3.820 2.891 2.327 3.839 0.019 4 0 "[ . 1 . 2]" 1
323 1 109 ASN HD21 1 110 TYR H 5.020 . 5.020 4.447 3.349 5.150 0.130 18 0 "[ . 1 . 2]" 1
324 1 110 TYR H 1 110 TYR HB2 3.820 . 3.820 2.778 2.304 3.211 . 0 0 "[ . 1 . 2]" 1
325 1 110 TYR H 1 111 LEU H 4.830 . 4.830 4.285 2.547 4.716 . 0 0 "[ . 1 . 2]" 1
326 1 23 HIS HA 1 26 LYS H 4.430 . 4.430 3.577 3.204 3.869 . 0 0 "[ . 1 . 2]" 1
327 1 25 ARG QG 1 26 LYS H 4.480 . 4.480 3.174 2.204 4.259 . 0 0 "[ . 1 . 2]" 1
328 1 26 LYS H 1 26 LYS QG 4.900 . 4.900 3.325 2.257 4.113 . 0 0 "[ . 1 . 2]" 1
329 1 26 LYS H 1 26 LYS QB 3.060 . 3.060 2.329 2.195 2.722 . 0 0 "[ . 1 . 2]" 1
330 1 26 LYS H 1 29 GLU QB 5.430 . 5.430 4.782 4.480 5.267 . 0 0 "[ . 1 . 2]" 1
331 1 89 LYS H 1 89 LYS HB3 3.630 . 3.630 3.139 2.406 3.695 0.065 18 0 "[ . 1 . 2]" 1
332 1 89 LYS H 1 89 LYS HB2 3.630 . 3.630 2.748 2.334 3.751 0.121 8 0 "[ . 1 . 2]" 1
333 1 89 LYS H 1 89 LYS QD 4.620 . 4.620 3.931 1.943 4.736 0.116 2 0 "[ . 1 . 2]" 1
334 1 88 LEU QB 1 89 LYS H 3.970 . 3.970 2.739 1.840 3.787 . 0 0 "[ . 1 . 2]" 1
335 1 89 LYS H 1 89 LYS QG 4.310 . 4.310 3.562 2.286 4.360 0.050 17 0 "[ . 1 . 2]" 1
336 1 48 GLU H 1 49 ILE H 4.010 . 4.010 2.470 2.304 2.770 . 0 0 "[ . 1 . 2]" 1
337 1 47 LYS QB 1 48 GLU H 3.650 . 3.650 2.882 2.593 3.132 . 0 0 "[ . 1 . 2]" 1
338 1 48 GLU H 1 48 GLU QG 3.820 . 3.820 2.834 2.417 3.635 . 0 0 "[ . 1 . 2]" 1
339 1 20 ILE MG 1 21 VAL H 3.510 . 3.510 2.917 2.787 3.096 . 0 0 "[ . 1 . 2]" 1
340 1 20 ILE H 1 21 VAL H 3.830 . 3.830 2.761 2.673 2.887 . 0 0 "[ . 1 . 2]" 1
341 1 20 ILE HB 1 21 VAL H 3.920 . 3.920 2.703 2.606 2.811 . 0 0 "[ . 1 . 2]" 1
342 1 21 VAL H 1 21 VAL HB 4.190 . 4.190 2.937 2.519 3.711 . 0 0 "[ . 1 . 2]" 1
343 1 20 ILE MD 1 21 VAL H 4.700 . 4.700 4.626 4.585 4.661 . 0 0 "[ . 1 . 2]" 1
344 1 100 GLU QG 1 101 ASP H 4.170 . 4.170 3.358 1.620 4.252 0.082 1 0 "[ . 1 . 2]" 1
345 1 100 GLU HB3 1 101 ASP H 4.040 . 4.040 3.016 1.744 4.135 0.095 1 0 "[ . 1 . 2]" 1
346 1 51 SER HA 1 52 GLU H 3.530 . 3.530 3.515 3.357 3.559 0.029 7 0 "[ . 1 . 2]" 1
347 1 50 GLU QB 1 52 GLU H 4.950 . 4.950 4.896 4.645 5.005 0.055 9 0 "[ . 1 . 2]" 1
348 1 52 GLU H 1 53 ILE HG12 4.440 . 4.440 3.305 3.142 3.543 . 0 0 "[ . 1 . 2]" 1
349 1 52 GLU H 1 53 ILE MD 4.350 . 4.350 4.204 4.010 4.386 0.036 7 0 "[ . 1 . 2]" 1
350 1 51 SER HB2 1 52 GLU H 4.360 . 4.360 3.645 2.833 4.276 . 0 0 "[ . 1 . 2]" 1
351 1 52 GLU H 1 52 GLU QG 2.900 . 2.900 2.145 2.017 2.350 . 0 0 "[ . 1 . 2]" 1
352 1 51 SER H 1 52 GLU H 3.720 . 3.720 2.601 2.426 2.719 . 0 0 "[ . 1 . 2]" 1
353 1 52 GLU H 1 53 ILE H 3.160 . 3.160 2.176 1.997 2.360 . 0 0 "[ . 1 . 2]" 1
354 1 51 SER HB3 1 52 GLU H 4.360 . 4.360 3.753 2.726 4.339 . 0 0 "[ . 1 . 2]" 1
355 1 52 GLU H 1 52 GLU QB 3.280 . 3.280 2.805 2.632 3.032 . 0 0 "[ . 1 . 2]" 1
356 1 52 GLU H 1 53 ILE MG 5.440 . 5.440 5.417 5.202 5.491 0.051 16 0 "[ . 1 . 2]" 1
357 1 53 ILE H 1 54 ASP H 4.570 . 4.570 4.190 3.972 4.393 . 0 0 "[ . 1 . 2]" 1
358 1 50 GLU HA 1 53 ILE H 4.260 . 4.260 3.161 2.642 3.626 . 0 0 "[ . 1 . 2]" 1
359 1 52 GLU QG 1 53 ILE H 3.400 . 3.400 2.970 2.664 3.333 . 0 0 "[ . 1 . 2]" 1
360 1 53 ILE H 1 53 ILE HB 3.050 . 3.050 2.522 2.437 2.625 . 0 0 "[ . 1 . 2]" 1
361 1 53 ILE H 1 53 ILE HG12 3.470 . 3.470 2.345 2.155 2.646 . 0 0 "[ . 1 . 2]" 1
362 1 53 ILE H 1 53 ILE MD 3.670 . 3.670 3.301 3.128 3.575 . 0 0 "[ . 1 . 2]" 1
363 1 51 SER H 1 53 ILE H 4.520 . 4.520 3.863 3.604 4.154 . 0 0 "[ . 1 . 2]" 1
364 1 51 SER HA 1 53 ILE H 4.780 . 4.780 4.022 3.618 4.572 . 0 0 "[ . 1 . 2]" 1
365 1 53 ILE H 1 53 ILE MG 3.830 . 3.830 3.779 3.745 3.810 . 0 0 "[ . 1 . 2]" 1
366 1 79 VAL H 1 79 VAL MG2 4.140 . 4.140 3.104 1.921 3.897 . 0 0 "[ . 1 . 2]" 1
367 1 79 VAL H 1 80 LEU QB 4.080 . 4.080 3.947 3.402 4.144 0.064 17 0 "[ . 1 . 2]" 1
368 1 79 VAL H 1 79 VAL MG1 4.140 . 4.140 2.272 1.800 2.852 . 0 0 "[ . 1 . 2]" 1
369 1 64 ARG H 1 65 ILE H 3.490 . 3.490 2.652 2.545 2.789 . 0 0 "[ . 1 . 2]" 1
370 1 65 ILE H 1 66 ILE H 3.760 . 3.760 2.696 2.598 2.758 . 0 0 "[ . 1 . 2]" 1
371 1 28 GLU H 1 28 GLU HG3 3.850 . 3.850 3.140 2.256 3.425 . 0 0 "[ . 1 . 2]" 1
372 1 28 GLU H 1 28 GLU HG2 3.850 . 3.850 2.246 2.017 3.319 . 0 0 "[ . 1 . 2]" 1
373 1 28 GLU H 1 28 GLU QB 3.110 . 3.110 2.604 2.497 2.727 . 0 0 "[ . 1 . 2]" 1
374 1 24 LEU QD 1 28 GLU H 3.400 . 3.400 3.246 2.883 3.433 0.033 12 0 "[ . 1 . 2]" 1
375 1 63 LYS H 1 65 ILE H 4.540 . 4.540 4.160 4.003 4.269 . 0 0 "[ . 1 . 2]" 1
376 1 27 VAL HB 1 28 GLU H 4.080 . 4.080 3.069 2.563 4.007 . 0 0 "[ . 1 . 2]" 1
377 1 65 ILE H 1 66 ILE MG 4.080 . 4.080 3.881 3.795 3.966 . 0 0 "[ . 1 . 2]" 1
378 1 27 VAL MG2 1 28 GLU H 4.400 . 4.400 3.505 2.170 4.131 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL MG1 1 28 GLU H 4.400 . 4.400 3.436 2.833 4.178 . 0 0 "[ . 1 . 2]" 1
380 1 55 SER HA 1 58 GLU H 5.010 . 5.010 4.668 4.384 4.919 . 0 0 "[ . 1 . 2]" 1
381 1 58 GLU H 1 58 GLU HG3 3.730 . 3.730 3.596 2.070 3.875 0.145 9 0 "[ . 1 . 2]" 1
382 1 58 GLU H 1 58 GLU HG2 3.730 . 3.730 2.428 1.910 3.318 . 0 0 "[ . 1 . 2]" 1
383 1 53 ILE MG 1 58 GLU H 4.030 . 4.030 3.717 3.474 3.960 . 0 0 "[ . 1 . 2]" 1
384 1 57 GLU H 1 58 GLU H 3.500 . 3.500 2.766 2.615 2.936 . 0 0 "[ . 1 . 2]" 1
385 1 55 SER H 1 58 GLU H 4.360 . 4.360 3.828 3.330 4.197 . 0 0 "[ . 1 . 2]" 1
386 1 57 GLU HB3 1 58 GLU H 3.530 . 3.530 3.477 2.384 3.638 0.108 8 0 "[ . 1 . 2]" 1
387 1 58 GLU H 1 58 GLU QB 3.440 . 3.440 2.351 1.830 2.634 . 0 0 "[ . 1 . 2]" 1
388 1 57 GLU HB2 1 58 GLU H 3.530 . 3.530 2.652 2.327 3.557 0.027 20 0 "[ . 1 . 2]" 1
389 1 42 VAL H 1 43 ASN HB2 5.500 . 5.500 4.728 4.530 4.916 . 0 0 "[ . 1 . 2]" 1
390 1 42 VAL H 1 43 ASN H 3.710 . 3.710 2.535 2.451 2.681 . 0 0 "[ . 1 . 2]" 1
391 1 16 ILE H 1 19 LEU H 4.850 . 4.850 4.710 4.562 4.870 0.020 8 0 "[ . 1 . 2]" 1
392 1 42 VAL H 1 42 VAL HB 3.350 . 3.350 2.677 2.590 2.919 . 0 0 "[ . 1 . 2]" 1
393 1 42 VAL H 1 42 VAL MG2 3.790 . 3.790 2.324 1.824 3.799 0.009 19 0 "[ . 1 . 2]" 1
394 1 39 SER HA 1 42 VAL H 3.920 . 3.920 3.604 3.297 3.921 0.001 9 0 "[ . 1 . 2]" 1
395 1 42 VAL H 1 42 VAL MG1 3.790 . 3.790 3.392 1.870 3.803 0.013 1 0 "[ . 1 . 2]" 1
396 1 40 GLU H 1 42 VAL H 4.900 . 4.900 4.318 4.065 4.580 . 0 0 "[ . 1 . 2]" 1
397 1 42 VAL H 1 66 ILE HG12 4.870 . 4.870 4.555 4.292 4.885 0.015 5 0 "[ . 1 . 2]" 1
398 1 66 ILE H 1 66 ILE HG12 5.400 . 5.400 4.721 4.688 4.765 . 0 0 "[ . 1 . 2]" 1
399 1 66 ILE H 1 66 ILE MG 3.170 . 3.170 2.078 1.959 2.169 . 0 0 "[ . 1 . 2]" 1
400 1 16 ILE H 1 16 ILE MD 3.240 . 3.240 2.256 2.071 2.399 . 0 0 "[ . 1 . 2]" 1
401 1 32 ASP HB2 1 33 GLU H 4.550 . 4.550 4.010 3.523 4.577 0.027 11 0 "[ . 1 . 2]" 1
402 1 32 ASP H 1 33 GLU H 4.170 . 4.170 3.174 2.611 3.698 . 0 0 "[ . 1 . 2]" 1
403 1 33 GLU H 1 33 GLU QG 3.840 . 3.840 2.865 2.028 4.003 0.163 11 0 "[ . 1 . 2]" 1
404 1 32 ASP H 1 32 ASP HB3 4.170 . 4.170 3.668 2.889 4.170 0.000 13 0 "[ . 1 . 2]" 1
405 1 32 ASP H 1 32 ASP HB2 4.170 . 4.170 3.397 3.197 3.656 . 0 0 "[ . 1 . 2]" 1
406 1 25 ARG H 1 25 ARG QD 4.390 . 4.390 3.844 3.551 4.261 . 0 0 "[ . 1 . 2]" 1
407 1 23 HIS H 1 25 ARG H 4.830 . 4.830 4.202 4.015 4.430 . 0 0 "[ . 1 . 2]" 1
408 1 25 ARG H 1 27 VAL H 5.150 . 5.150 4.221 4.000 4.381 . 0 0 "[ . 1 . 2]" 1
409 1 25 ARG H 1 26 LYS H 3.780 . 3.780 2.753 2.616 2.864 . 0 0 "[ . 1 . 2]" 1
410 1 25 ARG H 1 25 ARG QB 3.540 . 3.540 2.512 2.342 2.672 . 0 0 "[ . 1 . 2]" 1
411 1 25 ARG H 1 25 ARG QG 4.200 . 4.200 2.289 2.032 2.631 . 0 0 "[ . 1 . 2]" 1
412 1 60 ILE HA 1 62 LYS H 5.080 . 5.080 4.613 4.373 4.784 . 0 0 "[ . 1 . 2]" 1
413 1 58 GLU HA 1 62 LYS H 4.980 . 4.980 3.932 3.608 4.474 . 0 0 "[ . 1 . 2]" 1
414 1 57 GLU H 1 57 GLU QG 3.730 . 3.730 2.432 1.838 3.817 0.087 20 0 "[ . 1 . 2]" 1
415 1 57 GLU H 1 60 ILE HG13 5.290 . 5.290 4.829 4.490 5.097 . 0 0 "[ . 1 . 2]" 1
416 1 55 SER H 1 57 GLU H 5.270 . 5.270 4.979 4.651 5.292 0.022 8 0 "[ . 1 . 2]" 1
417 1 61 ASN HB3 1 62 LYS H 3.520 . 3.520 2.593 2.469 2.710 . 0 0 "[ . 1 . 2]" 1
418 1 57 GLU H 1 60 ILE H 5.180 . 5.180 4.742 4.667 4.888 . 0 0 "[ . 1 . 2]" 1
419 1 60 ILE H 1 62 LYS H 5.480 . 5.480 4.281 4.114 4.520 . 0 0 "[ . 1 . 2]" 1
420 1 61 ASN HB2 1 62 LYS H 3.980 . 3.980 3.945 3.862 4.005 0.025 10 0 "[ . 1 . 2]" 1
421 1 62 LYS H 1 62 LYS QB 3.220 . 3.220 2.259 2.057 2.394 . 0 0 "[ . 1 . 2]" 1
422 1 18 ASN HB3 1 19 LEU H 3.800 . 3.800 2.720 2.329 3.381 . 0 0 "[ . 1 . 2]" 1
423 1 19 LEU H 1 20 ILE H 3.580 . 3.580 2.756 2.657 2.844 . 0 0 "[ . 1 . 2]" 1
424 1 18 ASN H 1 19 LEU H 3.650 . 3.650 2.691 2.539 2.835 . 0 0 "[ . 1 . 2]" 1
425 1 18 ASN HB2 1 19 LEU H 3.800 . 3.800 3.497 2.549 3.881 0.081 17 0 "[ . 1 . 2]" 1
426 1 19 LEU H 1 19 LEU HB3 3.470 . 3.470 2.244 2.097 2.374 . 0 0 "[ . 1 . 2]" 1
427 1 16 ILE HA 1 19 LEU H 4.130 . 4.130 3.309 3.103 3.527 . 0 0 "[ . 1 . 2]" 1
428 1 61 ASN H 1 62 LYS H 3.500 . 3.500 2.804 2.697 2.901 . 0 0 "[ . 1 . 2]" 1
429 1 60 ILE H 1 61 ASN H 3.430 . 3.430 2.741 2.635 2.882 . 0 0 "[ . 1 . 2]" 1
430 1 61 ASN H 1 61 ASN HD22 5.500 . 5.500 5.513 5.408 5.555 0.055 14 0 "[ . 1 . 2]" 1
431 1 58 GLU HA 1 61 ASN H 3.960 . 3.960 3.606 3.322 3.877 . 0 0 "[ . 1 . 2]" 1
432 1 57 GLU HA 1 61 ASN H 4.200 . 4.200 3.833 3.517 4.228 0.028 13 0 "[ . 1 . 2]" 1
433 1 61 ASN H 1 61 ASN HB3 3.110 . 3.110 2.306 2.224 2.373 . 0 0 "[ . 1 . 2]" 1
434 1 61 ASN H 1 61 ASN HB2 3.250 . 3.250 2.774 2.682 2.894 . 0 0 "[ . 1 . 2]" 1
435 1 60 ILE HB 1 61 ASN H 3.330 . 3.330 2.541 2.421 2.810 . 0 0 "[ . 1 . 2]" 1
436 1 61 ASN H 1 62 LYS QB 4.720 . 4.720 4.614 4.299 4.793 0.073 13 0 "[ . 1 . 2]" 1
437 1 60 ILE MG 1 61 ASN H 3.760 . 3.760 3.354 3.241 3.536 . 0 0 "[ . 1 . 2]" 1
438 1 61 ASN H 1 61 ASN HD21 4.240 . 4.240 4.170 3.994 4.251 0.011 14 0 "[ . 1 . 2]" 1
439 1 60 ILE HG13 1 61 ASN H 4.350 . 4.350 4.216 4.015 4.326 . 0 0 "[ . 1 . 2]" 1
440 1 55 SER HA 1 57 GLU H 4.170 . 4.170 4.031 3.656 4.262 0.092 13 0 "[ . 1 . 2]" 1
441 1 20 ILE H 1 20 ILE MD 4.220 . 4.220 3.624 3.482 3.743 . 0 0 "[ . 1 . 2]" 1
442 1 19 LEU HB3 1 20 ILE H 3.950 . 3.950 2.815 2.275 2.971 . 0 0 "[ . 1 . 2]" 1
443 1 21 VAL HB 1 22 LEU H 4.100 . 4.100 3.205 2.389 4.113 0.013 18 0 "[ . 1 . 2]" 1
444 1 22 LEU H 1 22 LEU HB3 3.620 . 3.620 3.564 3.528 3.582 . 0 0 "[ . 1 . 2]" 1
445 1 27 VAL HA 1 31 GLU H 4.370 . 4.370 2.997 2.379 3.584 . 0 0 "[ . 1 . 2]" 1
446 1 30 GLU H 1 31 GLU H 3.360 . 3.360 2.628 2.374 2.945 . 0 0 "[ . 1 . 2]" 1
447 1 29 GLU H 1 31 GLU H 4.950 . 4.950 4.281 3.874 4.806 . 0 0 "[ . 1 . 2]" 1
448 1 31 GLU H 1 31 GLU QG 3.380 . 3.380 2.395 1.889 2.932 . 0 0 "[ . 1 . 2]" 1
449 1 30 GLU QB 1 31 GLU H 3.210 . 3.210 2.384 2.077 3.306 0.096 16 0 "[ . 1 . 2]" 1
450 1 31 GLU H 1 31 GLU QB 3.270 . 3.270 2.622 2.349 3.153 . 0 0 "[ . 1 . 2]" 1
451 1 28 GLU HA 1 31 GLU H 4.990 . 4.990 4.449 3.658 4.990 0.000 17 0 "[ . 1 . 2]" 1
452 1 81 ILE H 1 105 VAL MG2 4.120 . 4.120 3.908 3.638 4.137 0.017 10 0 "[ . 1 . 2]" 1
453 1 81 ILE H 1 81 ILE MD 3.480 . 3.480 2.488 1.955 3.552 0.072 18 0 "[ . 1 . 2]" 1
454 1 81 ILE H 1 105 VAL H 3.820 . 3.820 3.058 2.789 3.483 . 0 0 "[ . 1 . 2]" 1
455 1 80 LEU QB 1 81 ILE H 4.090 . 4.090 3.270 2.407 3.748 . 0 0 "[ . 1 . 2]" 1
456 1 81 ILE H 1 105 VAL MG1 4.120 . 4.120 3.351 2.732 4.173 0.053 18 0 "[ . 1 . 2]" 1
457 1 81 ILE H 1 81 ILE QG 4.150 . 4.150 3.231 2.184 3.674 . 0 0 "[ . 1 . 2]" 1
458 1 81 ILE H 1 106 VAL HA 4.440 . 4.440 3.073 2.563 3.570 . 0 0 "[ . 1 . 2]" 1
459 1 18 ASN H 1 18 ASN HB3 3.570 . 3.570 2.845 2.322 3.607 0.037 15 0 "[ . 1 . 2]" 1
460 1 26 LYS H 1 27 VAL H 3.780 . 3.780 2.595 2.467 2.745 . 0 0 "[ . 1 . 2]" 1
461 1 56 GLU HA 1 60 ILE H 4.050 . 4.050 4.038 3.919 4.107 0.057 16 0 "[ . 1 . 2]" 1
462 1 56 GLU QG 1 60 ILE H 4.190 . 4.190 3.751 3.434 4.061 . 0 0 "[ . 1 . 2]" 1
463 1 59 LEU H 1 60 ILE H 3.570 . 3.570 2.641 2.533 2.782 . 0 0 "[ . 1 . 2]" 1
464 1 60 ILE H 1 60 ILE HB 3.210 . 3.210 2.552 2.434 2.676 . 0 0 "[ . 1 . 2]" 1
465 1 59 LEU QB 1 60 ILE H 3.200 . 3.200 2.388 2.257 2.580 . 0 0 "[ . 1 . 2]" 1
466 1 60 ILE H 1 60 ILE HG13 3.520 . 3.520 2.111 2.010 2.210 . 0 0 "[ . 1 . 2]" 1
467 1 59 LEU QD 1 60 ILE H 4.070 . 4.070 3.833 3.726 3.955 . 0 0 "[ . 1 . 2]" 1
468 1 60 ILE H 1 60 ILE MG 4.440 . 4.440 3.787 3.751 3.809 . 0 0 "[ . 1 . 2]" 1
469 1 60 ILE H 1 61 ASN HB3 4.830 . 4.830 4.659 4.528 4.823 . 0 0 "[ . 1 . 2]" 1
470 1 22 LEU H 1 22 LEU HG 3.370 . 3.370 2.444 2.354 2.632 . 0 0 "[ . 1 . 2]" 1
471 1 22 LEU H 1 22 LEU HB2 3.620 . 3.620 2.360 2.271 2.410 . 0 0 "[ . 1 . 2]" 1
472 1 21 VAL MG1 1 22 LEU H 4.230 . 4.230 3.355 2.180 4.130 . 0 0 "[ . 1 . 2]" 1
473 1 21 VAL MG2 1 22 LEU H 4.230 . 4.230 3.260 2.201 3.822 . 0 0 "[ . 1 . 2]" 1
474 1 23 HIS HB2 1 24 LEU H 4.510 . 4.510 3.814 3.650 3.942 . 0 0 "[ . 1 . 2]" 1
475 1 20 ILE MD 1 24 LEU H 4.640 . 4.640 4.704 4.670 4.740 0.100 8 0 "[ . 1 . 2]" 1
476 1 23 HIS HB3 1 24 LEU H 4.360 . 4.360 2.474 2.297 2.674 . 0 0 "[ . 1 . 2]" 1
477 1 22 LEU H 1 24 LEU H 4.460 . 4.460 4.326 4.202 4.482 0.022 19 0 "[ . 1 . 2]" 1
478 1 27 VAL H 1 27 VAL MG1 3.680 . 3.680 3.300 2.289 3.725 0.045 1 0 "[ . 1 . 2]" 1
479 1 27 VAL H 1 27 VAL HB 3.840 . 3.840 2.797 2.311 3.724 . 0 0 "[ . 1 . 2]" 1
480 1 27 VAL H 1 27 VAL MG2 3.680 . 3.680 2.212 2.063 2.488 . 0 0 "[ . 1 . 2]" 1
481 1 23 HIS H 1 24 LEU H 3.700 . 3.700 2.746 2.612 2.874 . 0 0 "[ . 1 . 2]" 1
482 1 22 LEU H 1 23 HIS H 3.450 . 3.450 2.724 2.551 2.841 . 0 0 "[ . 1 . 2]" 1
483 1 21 VAL HA 1 23 HIS H 5.100 . 5.100 4.590 4.401 4.790 . 0 0 "[ . 1 . 2]" 1
484 1 23 HIS H 1 23 HIS HB2 3.650 . 3.650 2.553 2.472 2.675 . 0 0 "[ . 1 . 2]" 1
485 1 20 ILE MD 1 23 HIS H 5.330 . 5.330 5.065 4.748 5.226 . 0 0 "[ . 1 . 2]" 1
486 1 23 HIS H 1 23 HIS HB3 3.590 . 3.590 2.522 2.303 2.695 . 0 0 "[ . 1 . 2]" 1
487 1 22 LEU MD1 1 23 HIS H 4.350 . 4.350 4.339 4.238 4.393 0.043 5 0 "[ . 1 . 2]" 1
488 1 27 VAL HA 1 30 GLU H 4.210 . 4.210 3.483 2.978 3.863 . 0 0 "[ . 1 . 2]" 1
489 1 29 GLU H 1 30 GLU H 3.330 . 3.330 2.519 2.302 2.715 . 0 0 "[ . 1 . 2]" 1
490 1 29 GLU QG 1 30 GLU H 4.220 . 4.220 3.564 3.337 3.956 . 0 0 "[ . 1 . 2]" 1
491 1 29 GLU QB 1 30 GLU H 3.340 . 3.340 2.391 2.145 2.705 . 0 0 "[ . 1 . 2]" 1
492 1 30 GLU H 1 30 GLU QB 3.480 . 3.480 2.443 2.298 2.754 . 0 0 "[ . 1 . 2]" 1
493 1 43 ASN HA 1 47 LYS H 4.520 . 4.520 4.473 4.125 4.581 0.061 11 0 "[ . 1 . 2]" 1
494 1 44 TRP HA 1 47 LYS H 4.160 . 4.160 3.298 3.114 3.462 . 0 0 "[ . 1 . 2]" 1
495 1 47 LYS H 1 47 LYS QE 4.360 . 4.360 4.208 2.720 4.401 0.041 7 0 "[ . 1 . 2]" 1
496 1 47 LYS H 1 48 GLU QG 5.030 . 5.030 4.697 4.350 5.377 0.347 11 0 "[ . 1 . 2]" 1
497 1 46 LEU H 1 47 LYS H 3.810 . 3.810 2.611 2.466 2.690 . 0 0 "[ . 1 . 2]" 1
498 1 47 LYS H 1 48 GLU H 3.530 . 3.530 2.591 2.222 2.790 . 0 0 "[ . 1 . 2]" 1
499 1 47 LYS H 1 47 LYS QB 2.960 . 2.960 2.231 2.155 2.498 . 0 0 "[ . 1 . 2]" 1
500 1 47 LYS H 1 47 LYS QG 3.780 . 3.780 3.396 2.072 3.685 . 0 0 "[ . 1 . 2]" 1
501 1 46 LEU MD1 1 47 LYS H 4.200 . 4.200 4.228 4.038 4.306 0.106 8 0 "[ . 1 . 2]" 1
502 1 47 LYS H 1 49 ILE H 5.080 . 5.080 4.234 3.944 4.486 . 0 0 "[ . 1 . 2]" 1
503 1 47 LYS H 1 47 LYS QD 4.150 . 4.150 2.494 2.234 3.511 . 0 0 "[ . 1 . 2]" 1
504 1 60 ILE HA 1 64 ARG H 4.320 . 4.320 4.029 3.708 4.283 . 0 0 "[ . 1 . 2]" 1
505 1 63 LYS QB 1 64 ARG H 3.170 . 3.170 2.533 2.384 2.739 . 0 0 "[ . 1 . 2]" 1
506 1 63 LYS H 1 64 ARG H 3.760 . 3.760 2.673 2.542 2.837 . 0 0 "[ . 1 . 2]" 1
507 1 61 ASN HA 1 64 ARG H 3.980 . 3.980 3.511 3.277 3.753 . 0 0 "[ . 1 . 2]" 1
508 1 64 ARG H 1 65 ILE HB 5.140 . 5.140 4.940 4.819 5.144 0.004 19 0 "[ . 1 . 2]" 1
509 1 64 ARG H 1 66 ILE H 4.880 . 4.880 4.278 4.144 4.411 . 0 0 "[ . 1 . 2]" 1
510 1 64 ARG H 1 67 GLU H 5.330 . 5.330 4.775 4.634 5.020 . 0 0 "[ . 1 . 2]" 1
511 1 26 LYS HA 1 29 GLU H 3.870 . 3.870 3.669 3.347 3.917 0.047 17 0 "[ . 1 . 2]" 1
512 1 29 GLU H 1 29 GLU QG 4.700 . 4.700 3.971 3.920 4.094 . 0 0 "[ . 1 . 2]" 1
513 1 29 GLU H 1 29 GLU QB 2.740 . 2.740 2.216 2.143 2.318 . 0 0 "[ . 1 . 2]" 1
514 1 29 GLU H 1 32 ASP H 5.500 . 5.500 4.499 4.147 5.211 . 0 0 "[ . 1 . 2]" 1
515 1 27 VAL HA 1 29 GLU H 4.440 . 4.440 4.107 3.795 4.425 . 0 0 "[ . 1 . 2]" 1
516 1 26 LYS QB 1 29 GLU H 5.470 . 5.470 4.995 4.723 5.304 . 0 0 "[ . 1 . 2]" 1
517 1 27 VAL HB 1 29 GLU H 5.500 . 5.500 5.069 4.789 5.522 0.022 17 0 "[ . 1 . 2]" 1
518 1 82 GLU HB2 1 103 TYR H 5.340 . 5.340 4.707 3.999 5.394 0.054 16 0 "[ . 1 . 2]" 1
519 1 103 TYR H 1 104 LEU H 4.630 . 4.630 4.230 2.748 4.523 . 0 0 "[ . 1 . 2]" 1
520 1 103 TYR H 1 103 TYR HB2 3.950 . 3.950 2.833 2.312 3.912 . 0 0 "[ . 1 . 2]" 1
521 1 103 TYR H 1 103 TYR QD 4.050 . 4.050 2.780 2.273 3.539 . 0 0 "[ . 1 . 2]" 1
522 1 102 PRO HA 1 103 TYR H 3.510 . 3.510 2.730 2.301 3.547 0.037 3 0 "[ . 1 . 2]" 1
523 1 103 TYR H 1 103 TYR HB3 3.950 . 3.950 3.656 2.977 4.051 0.101 17 0 "[ . 1 . 2]" 1
524 1 77 ASP H 1 78 HIS H 3.970 . 3.970 2.585 2.304 2.862 . 0 0 "[ . 1 . 2]" 1
525 1 77 ASP H 1 77 ASP QB 3.890 . 3.890 2.361 2.139 2.580 . 0 0 "[ . 1 . 2]" 1
526 1 72 ARG QG 1 77 ASP H 4.370 . 4.370 3.182 2.525 3.946 . 0 0 "[ . 1 . 2]" 1
527 1 75 HIS H 1 78 HIS H 4.570 . 4.570 3.915 3.375 4.274 . 0 0 "[ . 1 . 2]" 1
528 1 75 HIS H 1 77 ASP QB 4.700 . 4.700 4.717 4.430 4.768 0.068 16 0 "[ . 1 . 2]" 1
529 1 75 HIS H 1 75 HIS HB3 3.960 . 3.960 3.281 2.633 3.868 . 0 0 "[ . 1 . 2]" 1
530 1 74 THR MG 1 75 HIS H 4.490 . 4.490 3.945 2.595 4.403 . 0 0 "[ . 1 . 2]" 1
531 1 75 HIS H 1 75 HIS HB2 3.960 . 3.960 2.726 2.468 3.257 . 0 0 "[ . 1 . 2]" 1
532 1 75 HIS H 1 77 ASP H 4.300 . 4.300 3.687 3.272 3.929 . 0 0 "[ . 1 . 2]" 1
533 1 43 ASN H 1 45 TYR H 4.540 . 4.540 3.906 3.840 3.959 . 0 0 "[ . 1 . 2]" 1
534 1 43 ASN H 1 43 ASN HB2 3.420 . 3.420 2.439 2.335 2.552 . 0 0 "[ . 1 . 2]" 1
535 1 42 VAL MG1 1 43 ASN H 3.960 . 3.960 3.374 2.421 3.671 . 0 0 "[ . 1 . 2]" 1
536 1 40 GLU HA 1 43 ASN H 4.030 . 4.030 3.300 3.138 3.462 . 0 0 "[ . 1 . 2]" 1
537 1 39 SER HA 1 43 ASN H 4.580 . 4.580 4.143 4.013 4.391 . 0 0 "[ . 1 . 2]" 1
538 1 43 ASN H 1 45 TYR HB2 5.260 . 5.260 5.285 5.262 5.307 0.047 7 0 "[ . 1 . 2]" 1
539 1 43 ASN H 1 43 ASN HB3 3.520 . 3.520 2.588 2.375 2.700 . 0 0 "[ . 1 . 2]" 1
540 1 42 VAL HB 1 43 ASN H 4.140 . 4.140 2.884 2.378 4.226 0.086 14 0 "[ . 1 . 2]" 1
541 1 42 VAL MG2 1 43 ASN H 3.960 . 3.960 3.612 3.420 3.735 . 0 0 "[ . 1 . 2]" 1
542 1 43 ASN H 1 46 LEU MD1 4.540 . 4.540 4.445 4.329 4.546 0.006 17 0 "[ . 1 . 2]" 1
543 1 43 ASN H 1 44 TRP H 4.050 . 4.050 2.961 2.885 3.061 . 0 0 "[ . 1 . 2]" 1
544 1 40 GLU QG 1 43 ASN H 4.870 . 4.870 4.871 4.735 4.928 0.058 2 0 "[ . 1 . 2]" 1
545 1 97 SER H 1 97 SER QB 3.520 . 3.520 2.703 2.343 3.411 . 0 0 "[ . 1 . 2]" 1
546 1 46 LEU H 1 48 GLU H 4.400 . 4.400 4.035 3.852 4.231 . 0 0 "[ . 1 . 2]" 1
547 1 45 TYR HB3 1 46 LEU H 4.090 . 4.090 2.347 2.249 2.450 . 0 0 "[ . 1 . 2]" 1
548 1 45 TYR HB2 1 46 LEU H 4.090 . 4.090 3.661 3.588 3.758 . 0 0 "[ . 1 . 2]" 1
549 1 46 LEU H 1 46 LEU MD1 3.530 . 3.530 3.440 3.394 3.488 . 0 0 "[ . 1 . 2]" 1
550 1 45 TYR H 1 46 LEU H 3.850 . 3.850 2.671 2.607 2.727 . 0 0 "[ . 1 . 2]" 1
551 1 46 LEU H 1 46 LEU HG 3.480 . 3.480 2.018 1.945 2.100 . 0 0 "[ . 1 . 2]" 1
552 1 46 LEU H 1 47 LYS QB 4.460 . 4.460 4.446 4.350 4.500 0.040 9 0 "[ . 1 . 2]" 1
553 1 46 LEU H 1 46 LEU MD2 3.540 . 3.540 3.092 2.944 3.269 . 0 0 "[ . 1 . 2]" 1
554 1 43 ASN HA 1 46 LEU H 4.430 . 4.430 3.949 3.804 4.132 . 0 0 "[ . 1 . 2]" 1
555 1 14 SER H 1 15 ARG HA 5.500 . 5.500 5.282 5.213 5.393 . 0 0 "[ . 1 . 2]" 1
556 1 14 SER H 1 15 ARG H 4.140 . 4.140 2.687 2.570 2.813 . 0 0 "[ . 1 . 2]" 1
557 1 14 SER H 1 14 SER QB 3.660 . 3.660 2.387 2.217 2.647 . 0 0 "[ . 1 . 2]" 1
558 1 14 SER H 1 15 ARG QB 5.500 . 5.500 4.684 4.311 5.007 . 0 0 "[ . 1 . 2]" 1
559 1 33 GLU H 1 34 SER H 3.700 . 3.700 3.320 1.701 3.900 0.200 15 0 "[ . 1 . 2]" 1
560 1 34 SER H 1 35 ALA H 3.380 . 3.380 2.950 2.495 3.524 0.144 3 0 "[ . 1 . 2]" 1
561 1 33 GLU HA 1 34 SER H 3.120 . 3.120 2.445 1.867 3.313 0.193 9 0 "[ . 1 . 2]" 1
562 1 94 GLY QA 1 95 SER H 3.530 . 3.530 2.450 2.075 2.848 . 0 0 "[ . 1 . 2]" 1
563 1 34 SER H 1 34 SER QB 3.290 . 3.290 2.682 2.283 3.353 0.063 8 0 "[ . 1 . 2]" 1
564 1 95 SER H 1 95 SER QB 3.500 . 3.500 2.713 2.252 3.414 . 0 0 "[ . 1 . 2]" 1
565 1 34 SER H 1 35 ALA MB 4.700 . 4.700 4.443 4.177 4.737 0.037 19 0 "[ . 1 . 2]" 1
566 1 78 HIS HA 1 80 LEU H 3.910 . 3.910 2.938 2.664 3.102 . 0 0 "[ . 1 . 2]" 1
567 1 79 VAL MG2 1 80 LEU H 4.420 . 4.420 3.871 3.007 4.321 . 0 0 "[ . 1 . 2]" 1
568 1 79 VAL H 1 80 LEU H 3.680 . 3.680 2.441 2.249 2.652 . 0 0 "[ . 1 . 2]" 1
569 1 80 LEU H 1 81 ILE H 4.740 . 4.740 4.449 4.237 4.603 . 0 0 "[ . 1 . 2]" 1
570 1 17 SER H 1 18 ASN H 3.810 . 3.810 2.710 2.630 2.854 . 0 0 "[ . 1 . 2]" 1
571 1 17 SER H 1 19 LEU HB3 5.160 . 5.160 4.896 4.658 5.181 0.021 8 0 "[ . 1 . 2]" 1
572 1 16 ILE HB 1 17 SER H 4.180 . 4.180 2.698 2.555 2.777 . 0 0 "[ . 1 . 2]" 1
573 1 16 ILE HG12 1 17 SER H 4.970 . 4.970 5.046 5.006 5.073 0.103 11 0 "[ . 1 . 2]" 1
574 1 83 LEU QB 1 84 THR H 3.680 . 3.680 2.988 1.735 3.656 . 0 0 "[ . 1 . 2]" 1
575 1 83 LEU H 1 84 THR H 4.680 . 4.680 4.058 2.776 4.549 . 0 0 "[ . 1 . 2]" 1
576 1 84 THR H 1 84 THR HB 4.000 . 4.000 3.250 2.500 3.681 . 0 0 "[ . 1 . 2]" 1
577 1 38 ARG H 1 39 SER H 4.420 . 4.420 2.766 2.484 3.088 . 0 0 "[ . 1 . 2]" 1
578 1 50 GLU QG 1 51 SER H 4.750 . 4.750 3.446 2.486 4.579 . 0 0 "[ . 1 . 2]" 1
579 1 51 SER H 1 51 SER HB3 4.110 . 4.110 2.871 2.423 3.529 . 0 0 "[ . 1 . 2]" 1
580 1 50 GLU QB 1 51 SER H 4.230 . 4.230 3.493 2.943 3.879 . 0 0 "[ . 1 . 2]" 1
581 1 51 SER H 1 51 SER HB2 4.110 . 4.110 2.846 2.372 3.501 . 0 0 "[ . 1 . 2]" 1
582 1 73 LEU QB 1 74 THR H 4.120 . 4.120 2.449 2.092 2.780 . 0 0 "[ . 1 . 2]" 1
583 1 73 LEU MD2 1 74 THR H 4.890 . 4.890 3.837 3.084 4.633 . 0 0 "[ . 1 . 2]" 1
584 1 73 LEU H 1 74 THR H 4.280 . 4.280 2.854 2.715 2.965 . 0 0 "[ . 1 . 2]" 1
585 1 72 ARG QG 1 74 THR H 5.450 . 5.450 5.264 4.821 5.477 0.027 18 0 "[ . 1 . 2]" 1
586 1 73 LEU MD1 1 74 THR H 4.890 . 4.890 4.360 4.077 4.636 . 0 0 "[ . 1 . 2]" 1
587 1 74 THR H 1 74 THR MG 3.790 . 3.790 2.395 1.910 2.780 . 0 0 "[ . 1 . 2]" 1
588 1 93 GLU HA 1 94 GLY H 3.530 . 3.530 2.726 2.081 3.551 0.021 13 0 "[ . 1 . 2]" 1
589 1 78 HIS H 1 80 LEU H 4.690 . 4.690 4.105 3.822 4.516 . 0 0 "[ . 1 . 2]" 1
590 1 86 ALA HA 1 87 GLY H 3.570 . 3.570 3.175 2.028 3.585 0.015 1 0 "[ . 1 . 2]" 1
591 1 86 ALA MB 1 87 GLY H 3.690 . 3.690 2.765 2.052 3.442 . 0 0 "[ . 1 . 2]" 1
592 1 80 LEU QB 1 105 VAL H 5.020 . 5.020 4.546 3.346 5.086 0.066 9 0 "[ . 1 . 2]" 1
593 1 81 ILE HB 1 105 VAL H 5.300 . 5.300 3.560 2.945 3.849 . 0 0 "[ . 1 . 2]" 1
594 1 105 VAL H 1 105 VAL MG2 4.120 . 4.120 3.547 2.335 3.835 . 0 0 "[ . 1 . 2]" 1
595 1 104 LEU QD 1 105 VAL H 3.560 . 3.560 3.334 2.247 3.573 0.013 8 0 "[ . 1 . 2]" 1
596 1 105 VAL H 1 105 VAL MG1 4.120 . 4.120 2.475 2.098 3.867 . 0 0 "[ . 1 . 2]" 1
597 1 54 ASP H 1 55 SER H 3.140 . 3.140 2.288 1.916 2.586 . 0 0 "[ . 1 . 2]" 1
598 1 54 ASP HA 1 55 SER H 3.500 . 3.500 3.423 3.274 3.500 . 11 0 "[ . 1 . 2]" 1
599 1 55 SER H 1 55 SER HB2 3.690 . 3.690 2.983 2.602 3.733 0.043 6 0 "[ . 1 . 2]" 1
600 1 53 ILE HA 1 55 SER H 3.480 . 3.480 3.287 3.016 3.513 0.033 11 0 "[ . 1 . 2]" 1
601 1 55 SER H 1 58 GLU QB 3.690 . 3.690 2.834 2.379 3.162 . 0 0 "[ . 1 . 2]" 1
602 1 53 ILE MG 1 55 SER H 2.950 . 2.950 2.552 2.365 2.750 . 0 0 "[ . 1 . 2]" 1
603 1 53 ILE HB 1 55 SER H 4.670 . 4.670 4.726 4.549 4.787 0.117 8 0 "[ . 1 . 2]" 1
604 1 53 ILE MD 1 55 SER H 4.400 . 4.400 4.189 4.055 4.362 . 0 0 "[ . 1 . 2]" 1
605 1 55 SER H 1 59 LEU QB 5.140 . 5.140 5.102 4.886 5.199 0.059 2 0 "[ . 1 . 2]" 1
606 1 15 ARG H 1 15 ARG QG 4.230 . 4.230 2.725 2.080 4.048 . 0 0 "[ . 1 . 2]" 1
607 1 14 SER QB 1 15 ARG H 3.810 . 3.810 2.726 2.402 3.695 . 0 0 "[ . 1 . 2]" 1
608 1 15 ARG H 1 15 ARG QB 3.260 . 3.260 2.406 2.163 2.668 . 0 0 "[ . 1 . 2]" 1
609 1 12 GLU HA 1 15 ARG H 4.030 . 4.030 3.404 2.773 3.906 . 0 0 "[ . 1 . 2]" 1
610 1 66 ILE HB 1 67 GLU H 4.090 . 4.090 4.035 3.976 4.091 0.001 14 0 "[ . 1 . 2]" 1
611 1 18 ASN HA 1 22 LEU H 4.320 . 4.320 3.782 3.532 3.996 . 0 0 "[ . 1 . 2]" 1
612 1 19 LEU HA 1 22 LEU H 4.150 . 4.150 3.704 3.523 3.908 . 0 0 "[ . 1 . 2]" 1
613 1 24 LEU H 1 24 LEU QB 3.660 . 3.660 2.204 2.117 2.273 . 0 0 "[ . 1 . 2]" 1
614 1 24 LEU H 1 24 LEU QD 3.880 . 3.880 3.685 3.372 3.773 . 0 0 "[ . 1 . 2]" 1
615 1 25 ARG QB 1 26 LYS H 4.190 . 4.190 3.066 2.225 3.653 . 0 0 "[ . 1 . 2]" 1
616 1 28 GLU H 1 29 GLU H 3.430 . 3.430 2.565 2.442 2.668 . 0 0 "[ . 1 . 2]" 1
617 1 71 HIS HB3 1 72 ARG H 4.140 . 4.140 2.539 2.399 2.770 . 0 0 "[ . 1 . 2]" 1
618 1 12 GLU H 1 16 ILE MD 5.500 . 5.500 5.336 5.133 5.501 0.001 1 0 "[ . 1 . 2]" 1
619 1 12 GLU H 1 13 TYR H 4.400 . 4.400 2.571 2.324 2.762 . 0 0 "[ . 1 . 2]" 1
620 1 16 ILE HA 1 18 ASN H 4.700 . 4.700 4.267 4.061 4.576 . 0 0 "[ . 1 . 2]" 1
621 1 19 LEU H 1 19 LEU HB2 3.380 . 3.380 2.837 2.456 3.053 . 0 0 "[ . 1 . 2]" 1
622 1 29 GLU H 1 30 GLU HA 5.280 . 5.280 5.138 4.983 5.229 . 0 0 "[ . 1 . 2]" 1
623 1 31 GLU QB 1 33 GLU H 4.180 . 4.180 3.324 2.545 4.294 0.114 18 0 "[ . 1 . 2]" 1
624 1 48 GLU H 1 48 GLU QB 3.800 . 3.800 2.341 1.890 2.899 . 0 0 "[ . 1 . 2]" 1
625 1 54 ASP H 1 54 ASP HB3 3.620 . 3.620 2.475 2.267 2.881 . 0 0 "[ . 1 . 2]" 1
626 1 54 ASP H 1 54 ASP HB2 3.620 . 3.620 2.916 2.573 3.663 0.043 10 0 "[ . 1 . 2]" 1
627 1 55 SER H 1 55 SER HB3 3.690 . 3.690 3.342 2.638 3.808 0.118 11 0 "[ . 1 . 2]" 1
628 1 56 GLU QB 1 57 GLU H 2.900 . 2.900 2.696 2.459 2.904 0.004 10 0 "[ . 1 . 2]" 1
629 1 98 TYR HB3 1 99 GLU H 4.320 . 4.320 4.155 3.896 4.325 0.005 12 0 "[ . 1 . 2]" 1
630 1 99 GLU H 1 99 GLU HB3 3.620 . 3.620 3.476 2.838 3.634 0.014 9 0 "[ . 1 . 2]" 1
631 1 99 GLU QG 1 100 GLU H 4.600 . 4.600 3.826 1.650 4.680 0.080 18 0 "[ . 1 . 2]" 1
632 1 100 GLU H 1 100 GLU QG 4.830 . 4.830 3.096 1.775 4.423 . 0 0 "[ . 1 . 2]" 1
633 1 99 GLU HB2 1 100 GLU H 4.080 . 4.080 3.304 1.959 4.172 0.092 14 0 "[ . 1 . 2]" 1
634 1 99 GLU HB3 1 100 GLU H 4.080 . 4.080 3.378 2.067 4.184 0.104 15 0 "[ . 1 . 2]" 1
635 1 101 ASP H 1 102 PRO QD 4.590 . 4.590 4.278 3.755 4.476 . 0 0 "[ . 1 . 2]" 1
636 1 101 ASP H 1 101 ASP HB3 3.780 . 3.780 2.801 2.396 3.738 . 0 0 "[ . 1 . 2]" 1
637 1 66 ILE HA 1 69 VAL H 3.960 . 3.960 3.451 3.276 3.562 . 0 0 "[ . 1 . 2]" 1
638 1 111 LEU H 1 111 LEU HB2 4.030 . 4.030 3.734 3.540 3.917 . 0 0 "[ . 1 . 2]" 1
639 1 114 ASP H 1 114 ASP HB2 3.830 . 3.830 3.265 2.468 3.731 . 0 0 "[ . 1 . 2]" 1
640 1 107 ASN H 1 109 ASN H 5.040 . 5.040 4.826 4.198 5.108 0.068 7 0 "[ . 1 . 2]" 1
641 1 105 VAL H 1 106 VAL H 4.620 . 4.620 4.342 4.241 4.450 . 0 0 "[ . 1 . 2]" 1
642 1 110 TYR H 1 110 TYR QD 4.690 . 4.690 4.219 3.921 4.455 . 0 0 "[ . 1 . 2]" 1
643 1 107 ASN HB2 1 109 ASN H 4.170 . 4.170 3.792 2.729 4.313 0.143 11 0 "[ . 1 . 2]" 1
644 1 81 ILE QG 1 107 ASN H 5.380 . 5.380 4.708 3.049 5.412 0.032 16 0 "[ . 1 . 2]" 1
645 1 66 ILE MG 1 67 GLU H 3.570 . 3.570 2.239 2.126 2.311 . 0 0 "[ . 1 . 2]" 1
646 1 42 VAL MG2 1 67 GLU H 4.740 . 4.740 4.255 3.795 4.641 . 0 0 "[ . 1 . 2]" 1
647 1 67 GLU H 1 70 ILE MD 4.480 . 4.480 4.453 4.198 4.526 0.046 1 0 "[ . 1 . 2]" 1
648 1 16 ILE HG12 1 67 GLU H 5.500 . 5.500 5.317 5.065 5.531 0.031 16 0 "[ . 1 . 2]" 1
649 1 67 GLU H 1 70 ILE QG 5.500 . 5.500 4.904 4.328 5.056 . 0 0 "[ . 1 . 2]" 1
650 1 8 LEU QD 1 9 GLY H 3.870 . 3.870 3.235 1.796 3.922 0.052 8 0 "[ . 1 . 2]" 1
651 1 12 GLU QG 1 13 TYR H 4.210 . 4.210 3.512 2.159 4.258 0.048 9 0 "[ . 1 . 2]" 1
652 1 12 GLU HB3 1 13 TYR H 4.270 . 4.270 3.749 3.289 4.222 . 0 0 "[ . 1 . 2]" 1
653 1 12 GLU HB2 1 13 TYR H 4.270 . 4.270 2.895 2.253 4.006 . 0 0 "[ . 1 . 2]" 1
654 1 16 ILE MG 1 18 ASN H 5.020 . 5.020 4.720 4.610 4.918 . 0 0 "[ . 1 . 2]" 1
655 1 38 ARG QB 1 39 SER H 4.070 . 4.070 2.967 2.012 3.655 . 0 0 "[ . 1 . 2]" 1
656 1 40 GLU H 1 43 ASN HB2 4.540 . 4.540 4.605 4.557 4.634 0.094 3 0 "[ . 1 . 2]" 1
657 1 41 LEU QB 1 44 TRP H 5.500 . 5.500 5.312 5.233 5.436 . 0 0 "[ . 1 . 2]" 1
658 1 44 TRP H 1 46 LEU MD1 5.500 . 5.500 5.510 5.410 5.562 0.062 17 0 "[ . 1 . 2]" 1
659 1 45 TYR H 1 46 LEU HG 4.400 . 4.400 4.152 4.060 4.299 . 0 0 "[ . 1 . 2]" 1
660 1 45 TYR H 1 47 LYS QB 4.740 . 4.740 4.778 4.676 4.824 0.084 7 0 "[ . 1 . 2]" 1
661 1 44 TRP HB3 1 45 TYR H 4.200 . 4.200 4.123 4.010 4.184 . 0 0 "[ . 1 . 2]" 1
662 1 41 LEU HA 1 45 TYR H 4.740 . 4.740 4.351 4.092 4.535 . 0 0 "[ . 1 . 2]" 1
663 1 43 ASN HA 1 45 TYR H 5.090 . 5.090 4.343 4.292 4.386 . 0 0 "[ . 1 . 2]" 1
664 1 45 TYR H 1 45 TYR QD 4.220 . 4.220 4.202 4.177 4.241 0.021 7 0 "[ . 1 . 2]" 1
665 1 103 TYR H 1 103 TYR QE 5.050 . 5.050 4.679 4.121 5.119 0.069 15 0 "[ . 1 . 2]" 1
666 1 82 GLU HA 1 105 VAL H 4.780 . 4.780 3.418 2.972 4.020 . 0 0 "[ . 1 . 2]" 1
667 1 105 VAL H 1 106 VAL HB 5.500 . 5.500 5.273 4.630 5.554 0.054 10 0 "[ . 1 . 2]" 1
668 1 82 GLU HB3 1 105 VAL H 4.990 . 4.990 4.582 3.899 5.009 0.019 10 0 "[ . 1 . 2]" 1
669 1 104 LEU HG 1 105 VAL H 5.090 . 5.090 4.980 3.303 5.143 0.053 13 0 "[ . 1 . 2]" 1
670 1 83 LEU QB 1 103 TYR H 4.420 . 4.420 3.595 2.562 4.525 0.105 14 0 "[ . 1 . 2]" 1
671 1 82 GLU HA 1 103 TYR H 4.960 . 4.960 4.661 3.941 5.029 0.069 2 0 "[ . 1 . 2]" 1
672 1 102 PRO QB 1 103 TYR H 3.820 . 3.820 2.186 1.612 3.791 . 0 0 "[ . 1 . 2]" 1
673 1 102 PRO QG 1 103 TYR H 3.820 . 3.820 3.501 2.180 3.900 0.080 2 0 "[ . 1 . 2]" 1
674 1 100 GLU HA 1 101 ASP H 3.250 . 3.250 2.718 2.006 3.395 0.145 2 0 "[ . 1 . 2]" 1
675 1 101 ASP H 1 101 ASP HB2 3.780 . 3.780 2.930 2.255 3.828 0.048 15 0 "[ . 1 . 2]" 1
676 1 100 GLU HB2 1 101 ASP H 4.040 . 4.040 3.190 1.729 3.955 . 0 0 "[ . 1 . 2]" 1
677 1 88 LEU MD1 1 89 LYS H 5.500 . 5.500 4.434 2.654 5.518 0.018 13 0 "[ . 1 . 2]" 1
678 1 88 LEU MD2 1 89 LYS H 5.500 . 5.500 4.554 4.010 5.038 . 0 0 "[ . 1 . 2]" 1
679 1 86 ALA MB 1 88 LEU H 4.860 . 4.860 4.421 3.904 4.952 0.092 11 0 "[ . 1 . 2]" 1
680 1 86 ALA HA 1 88 LEU H 4.400 . 4.400 3.954 3.154 4.422 0.022 14 0 "[ . 1 . 2]" 1
681 1 88 LEU H 1 88 LEU HG 3.200 . 3.200 2.421 1.854 2.926 . 0 0 "[ . 1 . 2]" 1
682 1 82 GLU HB2 1 83 LEU H 4.160 . 4.160 3.180 2.601 3.762 . 0 0 "[ . 1 . 2]" 1
683 1 83 LEU H 1 83 LEU HG 3.890 . 3.890 2.843 2.380 3.966 0.076 4 0 "[ . 1 . 2]" 1
684 1 83 LEU H 1 84 THR MG 5.500 . 5.500 5.250 4.531 5.603 0.103 5 0 "[ . 1 . 2]" 1
685 1 81 ILE H 1 82 GLU QG 5.480 . 5.480 5.315 4.829 5.563 0.083 7 0 "[ . 1 . 2]" 1
686 1 81 ILE H 1 105 VAL HB 5.500 . 5.500 5.108 2.722 5.598 0.098 12 0 "[ . 1 . 2]" 1
687 1 79 VAL MG1 1 80 LEU H 4.420 . 4.420 3.634 2.750 4.292 . 0 0 "[ . 1 . 2]" 1
688 1 73 LEU HA 1 79 VAL H 4.770 . 4.770 3.917 3.338 4.359 . 0 0 "[ . 1 . 2]" 1
689 1 78 HIS H 1 80 LEU QB 5.170 . 5.170 4.859 4.378 5.226 0.056 16 0 "[ . 1 . 2]" 1
690 1 73 LEU HA 1 77 ASP H 4.580 . 4.580 3.666 3.280 4.193 . 0 0 "[ . 1 . 2]" 1
691 1 24 LEU H 1 106 VAL MG1 5.140 . 5.140 4.477 3.971 5.172 0.032 2 0 "[ . 1 . 2]" 1
692 1 96 GLU QG 1 97 SER H 4.400 . 4.400 4.214 3.771 4.476 0.076 1 0 "[ . 1 . 2]" 1
693 1 96 GLU HB3 1 97 SER H 4.450 . 4.450 3.316 1.974 4.417 . 0 0 "[ . 1 . 2]" 1
694 1 96 GLU HB2 1 97 SER H 4.450 . 4.450 3.774 2.476 4.428 . 0 0 "[ . 1 . 2]" 1
695 1 83 LEU QB 1 85 GLN H 5.500 . 5.500 4.975 2.304 5.549 0.049 3 0 "[ . 1 . 2]" 1
696 1 87 GLY H 1 88 LEU HG 4.710 . 4.710 3.513 2.737 4.734 0.024 14 0 "[ . 1 . 2]" 1
697 1 26 LYS QB 1 27 VAL H 3.300 . 3.300 2.638 2.354 3.391 0.091 18 0 "[ . 1 . 2]" 1
698 1 40 GLU HA 1 43 ASN HD22 4.870 . 4.870 4.635 4.335 4.891 0.021 3 0 "[ . 1 . 2]" 1
699 1 18 ASN HD21 1 22 LEU MD1 4.270 . 4.270 3.159 2.753 3.913 . 0 0 "[ . 1 . 2]" 1
700 1 43 ASN HB2 1 43 ASN HD22 4.060 . 4.060 3.829 3.746 4.034 . 0 0 "[ . 1 . 2]" 1
701 1 12 GLU QG 1 61 ASN HD21 5.440 . 5.440 3.820 3.156 5.317 . 0 0 "[ . 1 . 2]" 1
702 1 58 GLU HA 1 61 ASN HD21 4.240 . 4.240 3.471 2.841 3.892 . 0 0 "[ . 1 . 2]" 1
703 1 61 ASN HA 1 61 ASN HD21 4.800 . 4.800 4.144 4.044 4.231 . 0 0 "[ . 1 . 2]" 1
704 1 49 ILE H 1 50 GLU HA 5.380 . 5.380 4.914 4.569 5.160 . 0 0 "[ . 1 . 2]" 1
705 1 47 LYS HA 1 49 ILE H 5.410 . 5.410 4.579 4.362 4.806 . 0 0 "[ . 1 . 2]" 1
706 1 49 ILE H 1 50 GLU QB 4.460 . 4.460 4.416 4.133 4.514 0.054 19 0 "[ . 1 . 2]" 1
707 1 49 ILE H 1 49 ILE HB 4.070 . 4.070 3.673 3.639 3.726 . 0 0 "[ . 1 . 2]" 1
708 1 48 GLU QB 1 49 ILE H 4.260 . 4.260 2.656 2.296 3.517 . 0 0 "[ . 1 . 2]" 1
709 1 48 GLU QG 1 49 ILE H 4.500 . 4.500 3.586 1.972 4.290 . 0 0 "[ . 1 . 2]" 1
710 1 49 ILE H 1 49 ILE MD 3.940 . 3.940 3.628 3.303 3.736 . 0 0 "[ . 1 . 2]" 1
711 1 49 ILE H 1 49 ILE MG 3.770 . 3.770 2.375 2.220 2.506 . 0 0 "[ . 1 . 2]" 1
712 1 16 ILE MD 1 61 ASN HD22 4.630 . 4.630 4.444 4.169 4.688 0.058 18 0 "[ . 1 . 2]" 1
713 1 58 GLU HA 1 61 ASN HD22 5.260 . 5.260 4.917 4.276 5.250 . 0 0 "[ . 1 . 2]" 1
714 1 18 ASN HD22 1 22 LEU MD1 4.270 . 4.270 2.829 1.974 4.357 0.087 5 0 "[ . 1 . 2]" 1
715 1 33 GLU QG 1 35 ALA H 5.330 . 5.330 4.166 2.407 5.379 0.049 3 0 "[ . 1 . 2]" 1
716 1 35 ALA H 1 105 VAL HB 5.500 . 5.500 3.891 2.926 5.503 0.003 18 0 "[ . 1 . 2]" 1
717 1 22 LEU HB2 1 23 HIS H 3.910 . 3.910 2.556 2.424 2.626 . 0 0 "[ . 1 . 2]" 1
718 1 30 GLU H 1 32 ASP H 4.740 . 4.740 3.871 3.389 4.792 0.052 7 0 "[ . 1 . 2]" 1
719 1 31 GLU QG 1 32 ASP H 4.730 . 4.730 3.755 1.684 4.313 . 0 0 "[ . 1 . 2]" 1
720 1 30 GLU QB 1 32 ASP H 4.530 . 4.530 4.273 3.731 4.572 0.042 16 0 "[ . 1 . 2]" 1
721 1 31 GLU QB 1 32 ASP H 3.920 . 3.920 2.943 1.925 3.881 . 0 0 "[ . 1 . 2]" 1
722 1 86 ALA H 1 86 ALA MB 3.070 . 3.070 2.352 2.125 3.032 . 0 0 "[ . 1 . 2]" 1
723 1 13 TYR H 1 16 ILE MD 4.750 . 4.750 4.421 4.035 4.651 . 0 0 "[ . 1 . 2]" 1
724 1 13 TYR H 1 14 SER H 4.180 . 4.180 2.672 2.555 2.796 . 0 0 "[ . 1 . 2]" 1
725 1 14 SER H 1 16 ILE MD 5.500 . 5.500 5.057 4.675 5.305 . 0 0 "[ . 1 . 2]" 1
726 1 15 ARG H 1 16 ILE H 4.000 . 4.000 2.631 2.464 2.880 . 0 0 "[ . 1 . 2]" 1
727 1 63 LYS H 1 66 ILE H 5.290 . 5.290 4.769 4.675 4.861 . 0 0 "[ . 1 . 2]" 1
728 1 66 ILE H 1 69 VAL H 5.500 . 5.500 4.740 4.639 4.854 . 0 0 "[ . 1 . 2]" 1
729 1 14 SER H 1 16 ILE H 5.070 . 5.070 4.252 4.101 4.461 . 0 0 "[ . 1 . 2]" 1
730 1 42 VAL H 1 44 TRP H 5.500 . 5.500 4.599 4.433 4.844 . 0 0 "[ . 1 . 2]" 1
731 1 12 GLU HA 1 16 ILE H 4.320 . 4.320 4.262 3.844 4.422 0.102 11 0 "[ . 1 . 2]" 1
732 1 62 LYS HA 1 66 ILE H 4.510 . 4.510 3.932 3.761 4.182 . 0 0 "[ . 1 . 2]" 1
733 1 16 ILE H 1 16 ILE HB 3.380 . 3.380 2.343 2.237 2.523 . 0 0 "[ . 1 . 2]" 1
734 1 41 LEU QB 1 42 VAL H 3.440 . 3.440 2.287 1.969 2.627 . 0 0 "[ . 1 . 2]" 1
735 1 66 ILE H 1 66 ILE HB 3.800 . 3.800 2.625 2.562 2.677 . 0 0 "[ . 1 . 2]" 1
736 1 84 THR H 1 85 GLN H 4.820 . 4.820 4.032 2.122 4.564 . 0 0 "[ . 1 . 2]" 1
737 1 84 THR H 1 84 THR MG 3.450 . 3.450 2.494 1.912 3.519 0.069 14 0 "[ . 1 . 2]" 1
738 1 17 SER H 1 65 ILE MG 4.850 . 4.850 4.778 4.517 4.915 0.065 5 0 "[ . 1 . 2]" 1
739 1 15 ARG HA 1 18 ASN H 4.260 . 4.260 3.482 2.980 3.773 . 0 0 "[ . 1 . 2]" 1
740 1 18 ASN H 1 18 ASN HB2 3.570 . 3.570 2.401 2.308 2.503 . 0 0 "[ . 1 . 2]" 1
741 1 19 LEU H 1 22 LEU MD1 4.220 . 4.220 4.035 3.878 4.227 0.007 13 0 "[ . 1 . 2]" 1
742 1 16 ILE MG 1 19 LEU H 4.630 . 4.630 4.542 4.394 4.647 0.017 16 0 "[ . 1 . 2]" 1
743 1 20 ILE H 1 20 ILE MG 3.680 . 3.680 3.724 3.706 3.745 0.065 6 0 "[ . 1 . 2]" 1
744 1 20 ILE H 1 20 ILE HB 3.540 . 3.540 2.334 2.276 2.381 . 0 0 "[ . 1 . 2]" 1
745 1 18 ASN HA 1 21 VAL H 4.460 . 4.460 3.415 2.998 3.646 . 0 0 "[ . 1 . 2]" 1
746 1 21 VAL H 1 22 LEU H 3.740 . 3.740 2.680 2.620 2.766 . 0 0 "[ . 1 . 2]" 1
747 1 20 ILE HA 1 23 HIS H 4.060 . 4.060 3.798 3.473 3.964 . 0 0 "[ . 1 . 2]" 1
748 1 22 LEU HB3 1 23 HIS H 3.910 . 3.910 3.417 3.241 3.568 . 0 0 "[ . 1 . 2]" 1
749 1 24 LEU QD 1 25 ARG H 3.790 . 3.790 3.515 2.800 3.846 0.056 14 0 "[ . 1 . 2]" 1
750 1 66 ILE H 1 66 ILE MD 4.300 . 4.300 4.143 4.089 4.188 . 0 0 "[ . 1 . 2]" 1
751 1 24 LEU QD 1 27 VAL H 4.330 . 4.330 4.237 3.899 4.383 0.053 4 0 "[ . 1 . 2]" 1
752 1 24 LEU H 1 25 ARG QG 4.810 . 4.810 4.418 3.982 4.780 . 0 0 "[ . 1 . 2]" 1
753 1 32 ASP HB3 1 33 GLU H 4.550 . 4.550 3.040 1.994 4.456 . 0 0 "[ . 1 . 2]" 1
754 1 6 LEU MD2 1 114 ASP H 5.260 . 5.260 3.762 1.964 5.306 0.046 17 0 "[ . 1 . 2]" 1
755 1 6 LEU MD1 1 114 ASP H 5.260 . 5.260 3.731 2.015 5.308 0.048 9 0 "[ . 1 . 2]" 1
756 1 33 GLU QG 1 34 SER H 4.460 . 4.460 4.044 2.567 4.482 0.022 18 0 "[ . 1 . 2]" 1
757 1 45 TYR H 1 46 LEU MD1 5.040 . 5.040 5.087 5.066 5.114 0.074 14 0 "[ . 1 . 2]" 1
758 1 46 LEU HG 1 47 LYS H 4.270 . 4.270 4.009 3.924 4.126 . 0 0 "[ . 1 . 2]" 1
759 1 46 LEU MD2 1 47 LYS H 4.820 . 4.820 4.565 4.517 4.621 . 0 0 "[ . 1 . 2]" 1
760 1 48 GLU H 1 50 GLU QB 4.740 . 4.740 4.806 4.744 4.853 0.113 18 0 "[ . 1 . 2]" 1
761 1 47 LYS QD 1 48 GLU H 4.510 . 4.510 4.355 4.088 4.629 0.119 9 0 "[ . 1 . 2]" 1
762 1 56 GLU H 1 56 GLU QG 4.750 . 4.750 3.978 3.916 4.074 . 0 0 "[ . 1 . 2]" 1
763 1 58 GLU H 1 59 LEU QB 4.680 . 4.680 4.377 4.251 4.591 . 0 0 "[ . 1 . 2]" 1
764 1 58 GLU H 1 61 ASN HB3 5.110 . 5.110 4.770 4.447 4.971 . 0 0 "[ . 1 . 2]" 1
765 1 59 LEU QD 1 63 LYS H 5.500 . 5.500 4.099 3.705 4.436 . 0 0 "[ . 1 . 2]" 1
766 1 60 ILE MG 1 63 LYS H 5.500 . 5.500 4.823 4.685 4.968 . 0 0 "[ . 1 . 2]" 1
767 1 60 ILE MG 1 64 ARG H 4.300 . 4.300 3.995 3.671 4.220 . 0 0 "[ . 1 . 2]" 1
768 1 42 VAL H 1 70 ILE MD 3.700 . 3.700 3.517 2.926 3.784 0.084 2 0 "[ . 1 . 2]" 1
769 1 65 ILE HA 1 68 LYS H 4.040 . 4.040 3.409 3.141 3.642 . 0 0 "[ . 1 . 2]" 1
770 1 68 LYS QB 1 69 VAL H 3.610 . 3.610 2.712 2.278 3.064 . 0 0 "[ . 1 . 2]" 1
771 1 68 LYS QG 1 71 HIS H 5.500 . 5.500 5.206 4.877 5.556 0.056 11 0 "[ . 1 . 2]" 1
772 1 70 ILE HB 1 71 HIS H 4.060 . 4.060 2.670 2.446 3.800 . 0 0 "[ . 1 . 2]" 1
773 1 71 HIS H 1 72 ARG QB 4.700 . 4.700 4.475 4.279 4.602 . 0 0 "[ . 1 . 2]" 1
774 1 72 ARG H 1 73 LEU H 4.110 . 4.110 2.659 2.531 2.785 . 0 0 "[ . 1 . 2]" 1
775 1 73 LEU H 1 110 TYR QE 5.280 . 5.280 4.637 3.173 5.356 0.076 9 0 "[ . 1 . 2]" 1
776 1 74 THR H 1 75 HIS H 3.680 . 3.680 2.488 2.298 2.586 . 0 0 "[ . 1 . 2]" 1
777 1 78 HIS H 1 79 VAL H 3.920 . 3.920 2.571 2.386 2.743 . 0 0 "[ . 1 . 2]" 1
778 1 96 GLU HB2 1 98 TYR H 4.620 . 4.620 3.661 2.848 4.693 0.073 8 0 "[ . 1 . 2]" 1
779 1 96 GLU HB3 1 98 TYR H 4.620 . 4.620 3.322 2.007 4.691 0.071 3 0 "[ . 1 . 2]" 1
780 1 98 TYR H 1 99 GLU QG 4.870 . 4.870 3.854 2.977 4.808 . 0 0 "[ . 1 . 2]" 1
781 1 96 GLU HA 1 98 TYR H 4.510 . 4.510 3.950 3.263 4.549 0.039 8 0 "[ . 1 . 2]" 1
782 1 107 ASN HB3 1 109 ASN H 4.170 . 4.170 3.209 2.445 4.260 0.090 5 0 "[ . 1 . 2]" 1
783 1 109 ASN H 1 109 ASN HD21 4.740 . 4.740 4.114 2.468 4.775 0.035 20 0 "[ . 1 . 2]" 1
784 1 66 ILE HA 1 66 ILE MD 3.820 . 3.820 2.098 2.041 2.148 . 0 0 "[ . 1 . 2]" 1
785 1 16 ILE HA 1 66 ILE MD 4.370 . 4.370 3.423 3.046 3.692 . 0 0 "[ . 1 . 2]" 1
786 1 1 ALA MB 1 2 PRO HD2 4.120 . 4.120 2.726 2.260 3.212 . 0 0 "[ . 1 . 2]" 1
787 1 1 ALA MB 1 2 PRO HD3 4.120 . 4.120 3.469 2.949 3.919 . 0 0 "[ . 1 . 2]" 1
788 1 1 ALA HA 1 2 PRO HD3 3.480 . 3.480 2.139 1.889 2.557 . 0 0 "[ . 1 . 2]" 1
789 1 85 GLN HA 1 85 GLN QG 3.390 . 3.390 3.018 2.363 3.472 0.082 2 0 "[ . 1 . 2]" 1
790 1 6 LEU QB 1 6 LEU MD2 3.260 . 3.260 2.298 2.082 2.398 . 0 0 "[ . 1 . 2]" 1
791 1 52 GLU HA 1 52 GLU QG 3.390 . 3.390 3.349 3.315 3.388 . 0 0 "[ . 1 . 2]" 1
792 1 60 ILE MG 1 61 ASN HB3 5.300 . 5.300 5.055 4.955 5.178 . 0 0 "[ . 1 . 2]" 1
793 1 16 ILE HA 1 65 ILE MG 4.870 . 4.870 4.791 4.642 4.896 0.026 6 0 "[ . 1 . 2]" 1
794 1 18 ASN HA 1 21 VAL MG1 4.350 . 4.350 3.721 1.864 4.373 0.023 15 0 "[ . 1 . 2]" 1
795 1 15 ARG HA 1 18 ASN HB3 4.540 . 4.540 3.112 2.221 4.380 . 0 0 "[ . 1 . 2]" 1
796 1 15 ARG HA 1 18 ASN HB2 4.540 . 4.540 2.966 2.333 3.785 . 0 0 "[ . 1 . 2]" 1
797 1 18 ASN HB2 1 22 LEU MD1 4.720 . 4.720 4.200 3.368 4.626 . 0 0 "[ . 1 . 2]" 1
798 1 18 ASN HB3 1 22 LEU MD1 4.720 . 4.720 3.222 1.945 4.085 . 0 0 "[ . 1 . 2]" 1
799 1 58 GLU HA 1 61 ASN HB3 3.940 . 3.940 2.521 2.068 2.880 . 0 0 "[ . 1 . 2]" 1
800 1 58 GLU HA 1 61 ASN HB2 4.300 . 4.300 3.810 3.286 4.304 0.004 6 0 "[ . 1 . 2]" 1
801 1 19 LEU HA 1 22 LEU HB3 4.420 . 4.420 4.297 4.068 4.463 0.043 13 0 "[ . 1 . 2]" 1
802 1 19 LEU HA 1 22 LEU HG 5.020 . 5.020 4.431 4.116 4.994 . 0 0 "[ . 1 . 2]" 1
803 1 16 ILE HA 1 19 LEU MD1 4.850 . 4.850 3.553 3.077 4.312 . 0 0 "[ . 1 . 2]" 1
804 1 19 LEU HA 1 19 LEU MD1 3.970 . 3.970 3.713 3.579 3.954 . 0 0 "[ . 1 . 2]" 1
805 1 20 ILE MD 1 20 ILE MG 3.050 . 3.050 1.951 1.861 1.991 . 0 0 "[ . 1 . 2]" 1
806 1 16 ILE HG13 1 16 ILE MG 3.730 . 3.730 2.440 2.399 2.517 . 0 0 "[ . 1 . 2]" 1
807 1 24 LEU HA 1 24 LEU QD 3.900 . 3.900 2.149 1.894 2.697 . 0 0 "[ . 1 . 2]" 1
808 1 47 LYS HA 1 47 LYS QD 4.600 . 4.600 2.339 1.810 3.190 . 0 0 "[ . 1 . 2]" 1
809 1 22 LEU HA 1 22 LEU HG 3.830 . 3.830 2.813 2.683 2.912 . 0 0 "[ . 1 . 2]" 1
810 1 22 LEU HB2 1 22 LEU MD2 3.440 . 3.440 3.177 3.151 3.191 . 0 0 "[ . 1 . 2]" 1
811 1 22 LEU HB3 1 22 LEU MD2 3.440 . 3.440 2.272 2.216 2.322 . 0 0 "[ . 1 . 2]" 1
812 1 22 LEU HA 1 22 LEU MD2 3.200 . 3.200 2.095 2.049 2.165 . 0 0 "[ . 1 . 2]" 1
813 1 25 ARG HA 1 25 ARG QD 4.580 . 4.580 4.334 4.018 4.596 0.016 19 0 "[ . 1 . 2]" 1
814 1 23 HIS HA 1 26 LYS QB 4.000 . 4.000 2.950 2.426 4.007 0.007 18 0 "[ . 1 . 2]" 1
815 1 27 VAL HA 1 27 VAL MG1 3.660 . 3.660 2.445 2.297 2.680 . 0 0 "[ . 1 . 2]" 1
816 1 27 VAL HA 1 31 GLU QB 5.260 . 5.260 3.683 2.219 5.284 0.024 6 0 "[ . 1 . 2]" 1
817 1 27 VAL HA 1 31 GLU QG 5.130 . 5.130 3.235 2.052 4.530 . 0 0 "[ . 1 . 2]" 1
818 1 27 VAL HA 1 27 VAL MG2 3.660 . 3.660 2.557 2.176 3.222 . 0 0 "[ . 1 . 2]" 1
819 1 28 GLU HA 1 28 GLU HG3 4.240 . 4.240 3.731 3.625 3.801 . 0 0 "[ . 1 . 2]" 1
820 1 28 GLU HA 1 28 GLU HG2 4.240 . 4.240 3.809 3.723 4.248 0.008 18 0 "[ . 1 . 2]" 1
821 1 29 GLU QG 1 30 GLU HA 3.970 . 3.970 3.619 3.405 3.982 0.012 17 0 "[ . 1 . 2]" 1
822 1 93 GLU HA 1 93 GLU QG 2.980 . 2.980 2.697 2.413 3.042 0.062 19 0 "[ . 1 . 2]" 1
823 1 35 ALA MB 1 105 VAL MG1 4.000 . 4.000 2.694 2.076 4.131 0.131 18 0 "[ . 1 . 2]" 1
824 1 40 GLU HA 1 40 GLU QG 3.830 . 3.830 2.670 2.366 2.950 . 0 0 "[ . 1 . 2]" 1
825 1 40 GLU HA 1 43 ASN HB3 4.290 . 4.290 2.265 2.002 2.444 . 0 0 "[ . 1 . 2]" 1
826 1 40 GLU HA 1 43 ASN HB2 4.260 . 4.260 2.536 2.311 2.883 . 0 0 "[ . 1 . 2]" 1
827 1 44 TRP HA 1 47 LYS QB 4.370 . 4.370 2.363 2.202 2.512 . 0 0 "[ . 1 . 2]" 1
828 1 47 LYS HA 1 47 LYS QE 4.590 . 4.590 3.964 1.968 4.375 . 0 0 "[ . 1 . 2]" 1
829 1 46 LEU MD1 1 47 LYS QE 4.180 . 4.180 3.913 3.271 4.240 0.060 20 0 "[ . 1 . 2]" 1
830 1 26 LYS QB 1 26 LYS QE 3.830 . 3.830 2.883 1.887 3.728 . 0 0 "[ . 1 . 2]" 1
831 1 68 LYS QB 1 68 LYS QE 4.000 . 4.000 2.521 1.995 3.653 . 0 0 "[ . 1 . 2]" 1
832 1 62 LYS HA 1 62 LYS QD 4.090 . 4.090 2.220 2.036 3.814 . 0 0 "[ . 1 . 2]" 1
833 1 47 LYS HA 1 47 LYS QG 3.990 . 3.990 2.533 2.382 3.029 . 0 0 "[ . 1 . 2]" 1
834 1 26 LYS QE 1 26 LYS QG 3.380 . 3.380 2.376 2.091 2.904 . 0 0 "[ . 1 . 2]" 1
835 1 46 LEU MD1 1 63 LYS QE 3.890 . 3.890 2.580 1.895 3.514 . 0 0 "[ . 1 . 2]" 1
836 1 53 ILE HA 1 53 ILE HG13 3.900 . 3.900 3.750 3.706 3.784 . 0 0 "[ . 1 . 2]" 1
837 1 53 ILE HB 1 59 LEU HA 5.500 . 5.500 5.402 5.053 5.538 0.038 12 0 "[ . 1 . 2]" 1
838 1 53 ILE HA 1 53 ILE MG 3.310 . 3.310 2.454 2.348 2.548 . 0 0 "[ . 1 . 2]" 1
839 1 53 ILE MG 1 59 LEU HA 3.580 . 3.580 3.341 2.875 3.606 0.026 19 0 "[ . 1 . 2]" 1
840 1 53 ILE MG 1 58 GLU HA 4.820 . 4.820 4.615 4.284 4.828 0.008 19 0 "[ . 1 . 2]" 1
841 1 53 ILE MG 1 54 ASP HA 4.710 . 4.710 3.992 3.611 4.286 . 0 0 "[ . 1 . 2]" 1
842 1 53 ILE MG 1 58 GLU QB 3.330 . 3.330 2.137 1.916 2.278 . 0 0 "[ . 1 . 2]" 1
843 1 53 ILE HG12 1 53 ILE MG 3.730 . 3.730 3.197 3.167 3.220 . 0 0 "[ . 1 . 2]" 1
844 1 53 ILE MG 1 59 LEU QB 3.670 . 3.670 1.927 1.807 2.111 . 0 0 "[ . 1 . 2]" 1
845 1 53 ILE HA 1 53 ILE MD 3.690 . 3.690 2.054 2.018 2.131 . 0 0 "[ . 1 . 2]" 1
846 1 49 ILE MD 1 53 ILE MD 3.840 . 3.840 2.507 1.956 3.451 . 0 0 "[ . 1 . 2]" 1
847 1 53 ILE MD 1 59 LEU HA 3.550 . 3.550 2.564 2.120 3.342 . 0 0 "[ . 1 . 2]" 1
848 1 53 ILE MD 1 58 GLU QB 3.610 . 3.610 2.050 1.837 2.393 . 0 0 "[ . 1 . 2]" 1
849 1 52 GLU QG 1 53 ILE MD 4.120 . 4.120 2.532 2.097 3.199 . 0 0 "[ . 1 . 2]" 1
850 1 53 ILE HB 1 53 ILE MD 3.520 . 3.520 3.245 3.233 3.257 . 0 0 "[ . 1 . 2]" 1
851 1 53 ILE MD 1 62 LYS QB 4.140 . 4.140 3.320 2.984 3.724 . 0 0 "[ . 1 . 2]" 1
852 1 53 ILE MD 1 53 ILE MG 2.790 . 2.790 2.057 2.002 2.108 . 0 0 "[ . 1 . 2]" 1
853 1 55 SER HA 1 56 GLU QB 4.460 . 4.460 4.117 3.972 4.254 . 0 0 "[ . 1 . 2]" 1
854 1 55 SER HB3 1 58 GLU QB 5.500 . 5.500 4.262 2.634 5.234 . 0 0 "[ . 1 . 2]" 1
855 1 55 SER HB2 1 58 GLU QB 5.500 . 5.500 4.088 2.517 5.528 0.028 13 0 "[ . 1 . 2]" 1
856 1 56 GLU HA 1 59 LEU QB 4.230 . 4.230 2.703 2.485 2.952 . 0 0 "[ . 1 . 2]" 1
857 1 56 GLU HA 1 56 GLU QG 3.880 . 3.880 2.603 2.436 2.979 . 0 0 "[ . 1 . 2]" 1
858 1 57 GLU HA 1 57 GLU QG 3.540 . 3.540 2.469 2.187 2.878 . 0 0 "[ . 1 . 2]" 1
859 1 57 GLU HA 1 60 ILE HB 3.880 . 3.880 2.701 2.176 2.954 . 0 0 "[ . 1 . 2]" 1
860 1 57 GLU HA 1 60 ILE MG 4.230 . 4.230 4.068 3.717 4.257 0.027 5 0 "[ . 1 . 2]" 1
861 1 57 GLU QG 1 60 ILE MD 4.260 . 4.260 3.665 2.751 4.279 0.019 16 0 "[ . 1 . 2]" 1
862 1 53 ILE HG13 1 59 LEU HA 3.690 . 3.690 3.383 3.065 3.701 0.011 10 0 "[ . 1 . 2]" 1
863 1 58 GLU QB 1 59 LEU HA 3.850 . 3.850 3.762 3.611 3.854 0.004 17 0 "[ . 1 . 2]" 1
864 1 58 GLU QB 1 59 LEU QB 4.020 . 4.020 3.743 3.548 3.921 . 0 0 "[ . 1 . 2]" 1
865 1 22 LEU HB2 1 22 LEU MD1 3.380 . 3.380 2.195 2.153 2.218 . 0 0 "[ . 1 . 2]" 1
866 1 19 LEU HA 1 22 LEU HB2 4.420 . 4.420 2.728 2.499 2.968 . 0 0 "[ . 1 . 2]" 1
867 1 59 LEU HA 1 59 LEU QD 3.800 . 3.800 2.096 2.053 2.148 . 0 0 "[ . 1 . 2]" 1
868 1 56 GLU HA 1 59 LEU QD 3.670 . 3.670 3.492 3.235 3.701 0.031 3 0 "[ . 1 . 2]" 1
869 1 19 LEU HA 1 22 LEU MD1 3.990 . 3.990 2.946 2.673 3.378 . 0 0 "[ . 1 . 2]" 1
870 1 110 TYR HA 1 111 LEU MD1 4.360 . 4.360 2.953 2.327 4.306 . 0 0 "[ . 1 . 2]" 1
871 1 50 GLU QB 1 59 LEU QD 4.110 . 4.110 3.523 2.844 4.186 0.076 11 0 "[ . 1 . 2]" 1
872 1 59 LEU QD 1 63 LYS QB 4.700 . 4.700 3.879 3.209 4.751 0.051 2 0 "[ . 1 . 2]" 1
873 1 82 GLU HB3 1 104 LEU QD 3.860 . 3.860 2.249 1.972 3.159 . 0 0 "[ . 1 . 2]" 1
874 1 82 GLU QG 1 104 LEU QD 4.000 . 4.000 3.713 3.278 4.024 0.024 18 0 "[ . 1 . 2]" 1
875 1 22 LEU HB3 1 22 LEU MD1 3.380 . 3.380 2.422 2.360 2.508 . 0 0 "[ . 1 . 2]" 1
876 1 46 LEU MD2 1 63 LYS HA 4.150 . 4.150 2.574 2.252 2.928 . 0 0 "[ . 1 . 2]" 1
877 1 46 LEU MD2 1 63 LYS QB 3.820 . 3.820 2.854 1.979 3.740 . 0 0 "[ . 1 . 2]" 1
878 1 46 LEU MD2 1 62 LYS QB 4.250 . 4.250 3.156 2.520 3.556 . 0 0 "[ . 1 . 2]" 1
879 1 46 LEU MD2 1 66 ILE HG12 4.580 . 4.580 4.594 4.373 4.646 0.066 9 0 "[ . 1 . 2]" 1
880 1 35 ALA MB 1 105 VAL MG2 4.000 . 4.000 3.461 2.390 4.040 0.040 3 0 "[ . 1 . 2]" 1
881 1 60 ILE HA 1 60 ILE MD 3.950 . 3.950 3.853 3.811 3.902 . 0 0 "[ . 1 . 2]" 1
882 1 60 ILE HA 1 60 ILE HG13 4.140 . 4.140 3.005 2.947 3.118 . 0 0 "[ . 1 . 2]" 1
883 1 60 ILE HA 1 60 ILE HG12 4.210 . 4.210 2.548 2.492 2.650 . 0 0 "[ . 1 . 2]" 1
884 1 60 ILE HA 1 63 LYS QB 4.490 . 4.490 2.633 2.183 2.975 . 0 0 "[ . 1 . 2]" 1
885 1 59 LEU QB 1 60 ILE HA 4.560 . 4.560 4.118 3.982 4.210 . 0 0 "[ . 1 . 2]" 1
886 1 59 LEU HG 1 60 ILE HA 5.010 . 5.010 3.879 3.715 4.077 . 0 0 "[ . 1 . 2]" 1
887 1 16 ILE MD 1 62 LYS QD 3.300 . 3.300 2.220 1.876 2.892 . 0 0 "[ . 1 . 2]" 1
888 1 16 ILE HA 1 62 LYS QD 5.040 . 5.040 5.005 4.589 5.171 0.131 8 0 "[ . 1 . 2]" 1
889 1 60 ILE HB 1 61 ASN HA 4.440 . 4.440 4.308 4.153 4.383 . 0 0 "[ . 1 . 2]" 1
890 1 24 LEU HA 1 27 VAL HB 5.300 . 5.300 3.140 2.025 4.999 . 0 0 "[ . 1 . 2]" 1
891 1 63 LYS HA 1 65 ILE HB 5.500 . 5.500 5.521 5.396 5.585 0.085 11 0 "[ . 1 . 2]" 1
892 1 46 LEU MD1 1 63 LYS QB 4.580 . 4.580 3.659 3.036 4.372 . 0 0 "[ . 1 . 2]" 1
893 1 26 LYS HA 1 29 GLU QB 4.080 . 4.080 2.764 2.330 3.690 . 0 0 "[ . 1 . 2]" 1
894 1 22 LEU MD2 1 25 ARG QD 4.070 . 4.070 2.251 1.902 2.696 . 0 0 "[ . 1 . 2]" 1
895 1 22 LEU HG 1 25 ARG QD 3.780 . 3.780 3.835 3.667 3.878 0.098 2 0 "[ . 1 . 2]" 1
896 1 63 LYS QB 1 63 LYS QE 4.300 . 4.300 2.324 1.943 3.512 . 0 0 "[ . 1 . 2]" 1
897 1 63 LYS HA 1 63 LYS QE 4.620 . 4.620 4.049 2.665 4.563 . 0 0 "[ . 1 . 2]" 1
898 1 63 LYS QB 1 64 ARG HA 4.400 . 4.400 4.006 3.776 4.267 . 0 0 "[ . 1 . 2]" 1
899 1 22 LEU HA 1 25 ARG QD 3.980 . 3.980 2.244 2.040 2.573 . 0 0 "[ . 1 . 2]" 1
900 1 46 LEU MD2 1 66 ILE HB 4.810 . 4.810 4.561 4.237 4.789 . 0 0 "[ . 1 . 2]" 1
901 1 66 ILE HB 1 70 ILE MD 5.420 . 5.420 4.971 4.765 5.279 . 0 0 "[ . 1 . 2]" 1
902 1 16 ILE MD 1 66 ILE HB 4.780 . 4.780 3.491 3.136 3.931 . 0 0 "[ . 1 . 2]" 1
903 1 65 ILE MG 1 66 ILE MD 4.320 . 4.320 4.345 4.253 4.402 0.082 18 0 "[ . 1 . 2]" 1
904 1 66 ILE MD 1 70 ILE MD 3.440 . 3.440 2.960 2.598 3.479 0.039 14 0 "[ . 1 . 2]" 1
905 1 16 ILE MG 1 66 ILE MD 3.870 . 3.870 1.976 1.836 2.204 . 0 0 "[ . 1 . 2]" 1
906 1 16 ILE HG13 1 66 ILE MD 3.810 . 3.810 2.611 2.214 2.994 . 0 0 "[ . 1 . 2]" 1
907 1 66 ILE MD 1 66 ILE MG 3.910 . 3.910 3.222 3.191 3.240 . 0 0 "[ . 1 . 2]" 1
908 1 46 LEU MD2 1 66 ILE MG 3.650 . 3.650 2.793 2.672 2.910 . 0 0 "[ . 1 . 2]" 1
909 1 66 ILE MG 1 70 ILE MD 4.170 . 4.170 3.587 3.435 3.769 . 0 0 "[ . 1 . 2]" 1
910 1 42 VAL HA 1 66 ILE MG 4.080 . 4.080 3.235 2.819 3.523 . 0 0 "[ . 1 . 2]" 1
911 1 66 ILE MD 1 69 VAL MG1 4.470 . 4.470 3.741 3.426 4.187 . 0 0 "[ . 1 . 2]" 1
912 1 66 ILE HA 1 69 VAL MG1 4.460 . 4.460 3.832 3.152 4.472 0.012 2 0 "[ . 1 . 2]" 1
913 1 67 GLU HA 1 70 ILE MD 4.110 . 4.110 2.723 2.142 3.011 . 0 0 "[ . 1 . 2]" 1
914 1 67 GLU HA 1 70 ILE HB 4.850 . 4.850 2.977 2.428 4.858 0.008 14 0 "[ . 1 . 2]" 1
915 1 68 LYS HA 1 68 LYS QE 4.540 . 4.540 4.005 2.789 4.632 0.092 10 0 "[ . 1 . 2]" 1
916 1 68 LYS HA 1 71 HIS HB3 4.780 . 4.780 2.335 1.945 2.795 . 0 0 "[ . 1 . 2]" 1
917 1 68 LYS HA 1 71 HIS HB2 4.780 . 4.780 3.398 2.824 4.066 . 0 0 "[ . 1 . 2]" 1
918 1 68 LYS HA 1 72 ARG QB 4.820 . 4.820 4.652 4.355 4.848 0.028 13 0 "[ . 1 . 2]" 1
919 1 68 LYS HA 1 68 LYS QG 3.900 . 3.900 2.585 2.229 3.129 . 0 0 "[ . 1 . 2]" 1
920 1 85 GLN QG 1 86 ALA HA 5.170 . 5.170 3.962 2.980 5.232 0.062 17 0 "[ . 1 . 2]" 1
921 1 53 ILE HA 1 58 GLU QB 4.560 . 4.560 2.928 2.480 3.550 . 0 0 "[ . 1 . 2]" 1
922 1 52 GLU QG 1 53 ILE HA 4.630 . 4.630 3.382 3.041 3.781 . 0 0 "[ . 1 . 2]" 1
923 1 46 LEU MD1 1 63 LYS HA 4.470 . 4.470 4.082 3.574 4.405 . 0 0 "[ . 1 . 2]" 1
924 1 74 THR HA 1 74 THR MG 3.570 . 3.570 2.486 2.251 3.234 . 0 0 "[ . 1 . 2]" 1
925 1 73 LEU HA 1 74 THR MG 5.340 . 5.340 4.862 4.700 5.193 . 0 0 "[ . 1 . 2]" 1
926 1 73 LEU QB 1 74 THR MG 4.230 . 4.230 3.014 2.673 3.709 . 0 0 "[ . 1 . 2]" 1
927 1 81 ILE MD 1 107 ASN HB2 4.690 . 4.690 3.415 2.061 4.730 0.040 3 0 "[ . 1 . 2]" 1
928 1 81 ILE MD 1 107 ASN HB3 4.690 . 4.690 3.973 2.633 4.730 0.040 2 0 "[ . 1 . 2]" 1
929 1 46 LEU MD2 1 49 ILE MD 4.020 . 4.020 2.407 2.024 3.209 . 0 0 "[ . 1 . 2]" 1
930 1 49 ILE MD 1 53 ILE HG12 4.820 . 4.820 3.886 2.923 4.784 . 0 0 "[ . 1 . 2]" 1
931 1 46 LEU HA 1 49 ILE MD 4.720 . 4.720 2.399 2.036 3.113 . 0 0 "[ . 1 . 2]" 1
932 1 49 ILE HA 1 49 ILE MD 4.300 . 4.300 4.166 3.716 4.214 . 0 0 "[ . 1 . 2]" 1
933 1 49 ILE MD 1 49 ILE MG 3.230 . 3.230 2.032 1.896 3.201 . 0 0 "[ . 1 . 2]" 1
934 1 24 LEU QB 1 27 VAL MG1 5.220 . 5.220 5.138 4.569 5.311 0.091 1 0 "[ . 1 . 2]" 1
935 1 27 VAL MG1 1 31 GLU QG 4.930 . 4.930 3.339 1.948 4.820 . 0 0 "[ . 1 . 2]" 1
936 1 24 LEU HA 1 27 VAL MG1 4.740 . 4.740 3.774 3.315 4.076 . 0 0 "[ . 1 . 2]" 1
937 1 81 ILE HA 1 105 VAL MG2 5.490 . 5.490 5.412 4.659 5.633 0.143 4 0 "[ . 1 . 2]" 1
938 1 81 ILE HA 1 81 ILE MG 3.490 . 3.490 2.418 2.246 2.475 . 0 0 "[ . 1 . 2]" 1
939 1 81 ILE MG 1 83 LEU HA 5.060 . 5.060 4.169 3.607 4.934 . 0 0 "[ . 1 . 2]" 1
940 1 81 ILE MG 1 83 LEU HG 5.130 . 5.130 3.450 2.143 4.624 . 0 0 "[ . 1 . 2]" 1
941 1 81 ILE MG 1 105 VAL MG2 3.980 . 3.980 3.760 3.122 4.045 0.065 2 0 "[ . 1 . 2]" 1
942 1 81 ILE MG 1 105 VAL MG1 3.980 . 3.980 2.799 2.315 3.927 . 0 0 "[ . 1 . 2]" 1
943 1 82 GLU HA 1 104 LEU QD 4.110 . 4.110 2.896 2.198 3.767 . 0 0 "[ . 1 . 2]" 1
944 1 82 GLU HA 1 102 PRO QG 5.160 . 5.160 4.418 2.955 5.199 0.039 3 0 "[ . 1 . 2]" 1
945 1 84 THR HA 1 88 LEU MD1 5.500 . 5.500 4.408 2.053 5.613 0.113 18 0 "[ . 1 . 2]" 1
946 1 84 THR HA 1 88 LEU MD2 5.500 . 5.500 4.373 3.439 5.361 . 0 0 "[ . 1 . 2]" 1
947 1 85 GLN HA 1 88 LEU HG 5.300 . 5.300 2.880 1.849 5.096 . 0 0 "[ . 1 . 2]" 1
948 1 85 GLN HA 1 88 LEU MD1 5.260 . 5.260 2.542 1.881 5.306 0.046 19 0 "[ . 1 . 2]" 1
949 1 85 GLN HA 1 88 LEU MD2 5.260 . 5.260 3.547 2.177 5.338 0.078 4 0 "[ . 1 . 2]" 1
950 1 84 THR HA 1 84 THR MG 3.290 . 3.290 2.426 2.027 3.230 . 0 0 "[ . 1 . 2]" 1
951 1 83 LEU HA 1 84 THR MG 4.700 . 4.700 3.922 3.431 4.914 0.214 7 0 "[ . 1 . 2]" 1
952 1 92 THR HA 1 92 THR MG 3.350 . 3.350 2.597 2.249 3.238 . 0 0 "[ . 1 . 2]" 1
953 1 88 LEU HA 1 88 LEU MD2 4.350 . 4.350 2.316 1.968 4.107 . 0 0 "[ . 1 . 2]" 1
954 1 111 LEU MD2 1 112 LEU QB 4.800 . 4.800 4.327 2.211 4.975 0.175 4 0 "[ . 1 . 2]" 1
955 1 88 LEU HA 1 88 LEU MD1 4.350 . 4.350 3.837 3.695 3.912 . 0 0 "[ . 1 . 2]" 1
956 1 111 LEU HA 1 111 LEU MD1 4.070 . 4.070 3.563 3.482 3.629 . 0 0 "[ . 1 . 2]" 1
957 1 86 ALA MB 1 87 GLY QA 4.310 . 4.310 3.600 3.371 3.945 . 0 0 "[ . 1 . 2]" 1
958 1 86 ALA MB 1 95 SER QB 5.080 . 5.080 3.805 2.187 5.115 0.035 16 0 "[ . 1 . 2]" 1
959 1 84 THR HB 1 86 ALA MB 4.930 . 4.930 3.946 2.616 5.063 0.133 4 0 "[ . 1 . 2]" 1
960 1 89 LYS HA 1 89 LYS QG 3.890 . 3.890 2.808 2.291 3.571 . 0 0 "[ . 1 . 2]" 1
961 1 89 LYS HA 1 89 LYS QD 3.880 . 3.880 2.623 1.930 3.939 0.059 4 0 "[ . 1 . 2]" 1
962 1 60 ILE HB 1 60 ILE MD 3.350 . 3.350 2.436 2.412 2.456 . 0 0 "[ . 1 . 2]" 1
963 1 16 ILE HB 1 16 ILE MD 3.380 . 3.380 2.442 2.387 2.472 . 0 0 "[ . 1 . 2]" 1
964 1 56 GLU QG 1 60 ILE MD 3.590 . 3.590 2.179 2.054 2.350 . 0 0 "[ . 1 . 2]" 1
965 1 104 LEU QD 1 105 VAL HA 4.950 . 4.950 4.861 2.799 5.089 0.139 20 0 "[ . 1 . 2]" 1
966 1 81 ILE MD 1 105 VAL HA 4.930 . 4.930 4.908 4.408 4.981 0.051 5 0 "[ . 1 . 2]" 1
967 1 99 GLU HA 1 99 GLU QG 3.590 . 3.590 2.698 2.254 3.369 . 0 0 "[ . 1 . 2]" 1
968 1 81 ILE MD 1 105 VAL HB 5.110 . 5.110 4.631 2.062 5.123 0.013 9 0 "[ . 1 . 2]" 1
969 1 31 GLU HA 1 31 GLU QG 3.350 . 3.350 2.784 2.333 3.372 0.022 6 0 "[ . 1 . 2]" 1
970 1 96 GLU HA 1 96 GLU QG 3.630 . 3.630 2.760 2.388 3.516 . 0 0 "[ . 1 . 2]" 1
971 1 34 SER QB 1 35 ALA MB 4.910 . 4.910 4.275 3.570 4.974 0.064 11 0 "[ . 1 . 2]" 1
972 1 24 LEU QD 1 34 SER QB 4.880 . 4.880 3.210 1.826 4.954 0.074 6 0 "[ . 1 . 2]" 1
973 1 100 GLU HA 1 100 GLU QG 3.830 . 3.830 2.910 2.367 3.518 . 0 0 "[ . 1 . 2]" 1
974 1 29 GLU HA 1 29 GLU QG 3.710 . 3.710 2.615 2.433 3.024 . 0 0 "[ . 1 . 2]" 1
975 1 81 ILE HB 1 104 LEU HA 5.500 . 5.500 5.254 4.668 5.524 0.024 1 0 "[ . 1 . 2]" 1
976 1 81 ILE MG 1 82 GLU HA 4.810 . 4.810 3.683 3.385 3.901 . 0 0 "[ . 1 . 2]" 1
977 1 60 ILE MG 1 61 ASN HA 4.190 . 4.190 3.455 3.332 3.606 . 0 0 "[ . 1 . 2]" 1
978 1 60 ILE HA 1 60 ILE MG 3.420 . 3.420 2.450 2.349 2.499 . 0 0 "[ . 1 . 2]" 1
979 1 16 ILE HA 1 16 ILE MG 3.670 . 3.670 2.656 2.578 2.734 . 0 0 "[ . 1 . 2]" 1
980 1 16 ILE MG 1 66 ILE HA 4.610 . 4.610 2.305 1.984 2.614 . 0 0 "[ . 1 . 2]" 1
981 1 60 ILE HG12 1 60 ILE MG 3.440 . 3.440 2.388 2.339 2.432 . 0 0 "[ . 1 . 2]" 1
982 1 60 ILE HG13 1 60 ILE MG 3.380 . 3.380 3.210 3.197 3.219 . 0 0 "[ . 1 . 2]" 1
983 1 60 ILE MG 1 63 LYS QB 4.180 . 4.180 3.750 3.408 4.108 . 0 0 "[ . 1 . 2]" 1
984 1 49 ILE HA 1 49 ILE MG 3.450 . 3.450 2.334 2.267 2.379 . 0 0 "[ . 1 . 2]" 1
985 1 81 ILE MD 1 105 VAL MG1 4.010 . 4.010 2.996 2.081 3.333 . 0 0 "[ . 1 . 2]" 1
986 1 35 ALA HA 1 105 VAL MG2 4.670 . 4.670 3.635 1.897 4.560 . 0 0 "[ . 1 . 2]" 1
987 1 81 ILE MD 1 105 VAL MG2 4.010 . 4.010 2.652 2.209 4.026 0.016 1 0 "[ . 1 . 2]" 1
988 1 35 ALA HA 1 105 VAL MG1 4.670 . 4.670 3.448 2.890 4.262 . 0 0 "[ . 1 . 2]" 1
989 1 81 ILE HA 1 105 VAL MG1 5.490 . 5.490 4.386 3.941 5.589 0.099 18 0 "[ . 1 . 2]" 1
990 1 80 LEU HA 1 106 VAL HA 4.390 . 4.390 2.398 1.922 2.845 . 0 0 "[ . 1 . 2]" 1
991 1 24 LEU QB 1 106 VAL MG1 3.880 . 3.880 2.785 2.264 3.410 . 0 0 "[ . 1 . 2]" 1
992 1 20 ILE MD 1 106 VAL MG1 3.490 . 3.490 2.618 2.128 3.364 . 0 0 "[ . 1 . 2]" 1
993 1 19 LEU HB3 1 20 ILE HB 5.020 . 5.020 4.950 4.400 5.054 0.034 16 0 "[ . 1 . 2]" 1
994 1 111 LEU HA 1 111 LEU MD2 3.680 . 3.680 3.589 3.382 3.663 . 0 0 "[ . 1 . 2]" 1
995 1 6 LEU QB 1 6 LEU MD1 3.260 . 3.260 2.215 2.048 2.452 . 0 0 "[ . 1 . 2]" 1
996 1 65 ILE MD 1 65 ILE MG 3.240 . 3.240 1.957 1.815 2.037 . 0 0 "[ . 1 . 2]" 1
997 1 16 ILE MD 1 65 ILE MG 4.050 . 4.050 2.237 2.047 2.535 . 0 0 "[ . 1 . 2]" 1
998 1 65 ILE MG 1 69 VAL MG2 4.500 . 4.500 2.790 2.111 3.618 . 0 0 "[ . 1 . 2]" 1
999 1 65 ILE MG 1 66 ILE HA 4.670 . 4.670 3.290 3.188 3.413 . 0 0 "[ . 1 . 2]" 1
1000 1 111 LEU MD2 1 112 LEU HA 3.770 . 3.770 3.716 3.434 3.961 0.191 17 0 "[ . 1 . 2]" 1
1001 1 6 LEU MD1 1 112 LEU QB 3.710 . 3.710 2.811 1.859 3.850 0.140 13 0 "[ . 1 . 2]" 1
1002 1 6 LEU MD2 1 112 LEU QB 3.710 . 3.710 2.979 1.960 3.863 0.153 2 0 "[ . 1 . 2]" 1
1003 1 82 GLU HB2 1 104 LEU QD 4.500 . 4.500 2.934 2.429 4.473 . 0 0 "[ . 1 . 2]" 1
1004 1 104 LEU QB 1 104 LEU QD 2.910 . 2.910 1.981 1.911 2.086 . 0 0 "[ . 1 . 2]" 1
1005 1 112 LEU QB 1 114 ASP HA 5.500 . 5.500 4.795 3.668 5.635 0.135 19 0 "[ . 1 . 2]" 1
1006 1 21 VAL HA 1 24 LEU QB 4.760 . 4.760 2.997 2.449 3.423 . 0 0 "[ . 1 . 2]" 1
1007 1 21 VAL HA 1 106 VAL MG1 5.090 . 5.090 4.932 4.623 5.146 0.056 20 0 "[ . 1 . 2]" 1
1008 1 20 ILE MD 1 21 VAL HA 5.250 . 5.250 5.321 5.275 5.373 0.123 17 0 "[ . 1 . 2]" 1
1009 1 57 GLU HA 1 60 ILE MD 3.630 . 3.630 2.701 2.358 3.190 . 0 0 "[ . 1 . 2]" 1
1010 1 56 GLU QB 1 60 ILE MD 3.820 . 3.820 3.601 3.313 3.830 0.010 7 0 "[ . 1 . 2]" 1
1011 1 16 ILE HA 1 16 ILE MD 3.810 . 3.810 2.699 2.546 2.938 . 0 0 "[ . 1 . 2]" 1
1012 1 81 ILE HB 1 81 ILE MD 3.680 . 3.680 2.347 2.307 2.380 . 0 0 "[ . 1 . 2]" 1
1013 1 81 ILE HA 1 81 ILE MD 4.190 . 4.190 3.427 3.210 3.967 . 0 0 "[ . 1 . 2]" 1
1014 1 12 GLU QG 1 65 ILE MD 3.960 . 3.960 3.176 2.075 3.976 0.016 13 0 "[ . 1 . 2]" 1
1015 1 65 ILE HA 1 65 ILE MD 4.020 . 4.020 2.519 2.044 3.799 . 0 0 "[ . 1 . 2]" 1
1016 1 12 GLU HA 1 65 ILE MD 5.500 . 5.500 5.204 4.089 5.552 0.052 15 0 "[ . 1 . 2]" 1
1017 1 42 VAL MG1 1 70 ILE MD 3.820 . 3.820 3.629 2.488 3.939 0.119 3 0 "[ . 1 . 2]" 1
1018 1 67 GLU QB 1 70 ILE MD 4.650 . 4.650 4.210 3.099 4.705 0.055 6 0 "[ . 1 . 2]" 1
1019 1 70 ILE HA 1 70 ILE MD 4.510 . 4.510 3.887 3.817 4.210 . 0 0 "[ . 1 . 2]" 1
1020 1 48 GLU HA 1 49 ILE MG 5.270 . 5.270 4.832 4.573 5.074 . 0 0 "[ . 1 . 2]" 1
1021 1 46 LEU HA 1 49 ILE MG 4.710 . 4.710 4.073 3.444 4.702 . 0 0 "[ . 1 . 2]" 1
1022 1 20 ILE MG 1 106 VAL MG1 3.330 . 3.330 2.334 2.023 2.781 . 0 0 "[ . 1 . 2]" 1
1023 1 67 GLU HA 1 70 ILE MG 4.590 . 4.590 4.195 3.647 4.534 . 0 0 "[ . 1 . 2]" 1
1024 1 86 ALA MB 1 88 LEU MD1 5.500 . 5.500 5.357 4.780 5.567 0.067 15 0 "[ . 1 . 2]" 1
1025 1 86 ALA MB 1 88 LEU MD2 5.500 . 5.500 5.338 4.302 5.581 0.081 17 0 "[ . 1 . 2]" 1
1026 1 46 LEU MD1 1 66 ILE MG 4.130 . 4.130 3.957 3.695 4.153 0.023 18 0 "[ . 1 . 2]" 1
1027 1 27 VAL MG2 1 31 GLU QG 4.930 . 4.930 4.257 3.115 5.002 0.072 4 0 "[ . 1 . 2]" 1
1028 1 24 LEU QB 1 27 VAL MG2 5.220 . 5.220 4.357 3.629 4.763 . 0 0 "[ . 1 . 2]" 1
1029 1 46 LEU HA 1 46 LEU MD2 3.780 . 3.780 2.153 2.093 2.208 . 0 0 "[ . 1 . 2]" 1
1030 1 42 VAL MG2 1 66 ILE MG 3.470 . 3.470 2.409 1.817 2.827 . 0 0 "[ . 1 . 2]" 1
1031 1 42 VAL MG2 1 70 ILE MD 3.820 . 3.820 2.410 1.970 3.876 0.056 15 0 "[ . 1 . 2]" 1
1032 1 18 ASN HA 1 21 VAL MG2 4.350 . 4.350 3.072 2.021 4.459 0.109 3 0 "[ . 1 . 2]" 1
1033 1 66 ILE HA 1 69 VAL MG2 4.460 . 4.460 2.813 1.981 3.468 . 0 0 "[ . 1 . 2]" 1
1034 1 65 ILE MG 1 69 VAL MG1 4.500 . 4.500 3.545 2.144 4.482 . 0 0 "[ . 1 . 2]" 1
1035 1 42 VAL MG1 1 66 ILE MG 3.470 . 3.470 2.204 1.817 3.504 0.034 8 0 "[ . 1 . 2]" 1
1036 1 46 LEU HA 1 46 LEU MD1 4.190 . 4.190 3.853 3.794 3.886 . 0 0 "[ . 1 . 2]" 1
1037 1 43 ASN HA 1 46 LEU MD1 3.990 . 3.990 2.786 2.544 2.990 . 0 0 "[ . 1 . 2]" 1
1038 1 110 TYR HA 1 111 LEU MD2 4.500 . 4.500 4.371 3.573 4.655 0.155 11 0 "[ . 1 . 2]" 1
1039 1 60 ILE MD 1 60 ILE MG 2.550 . 2.550 1.945 1.911 1.977 . 0 0 "[ . 1 . 2]" 1
1040 1 65 ILE HA 1 68 LYS QG 4.510 . 4.510 4.061 3.436 4.546 0.036 14 0 "[ . 1 . 2]" 1
1041 1 16 ILE HG12 1 65 ILE HA 4.930 . 4.930 4.610 4.472 4.761 . 0 0 "[ . 1 . 2]" 1
1042 1 65 ILE HA 1 68 LYS QB 4.400 . 4.400 2.581 2.206 2.972 . 0 0 "[ . 1 . 2]" 1
1043 1 80 LEU HA 1 106 VAL MG1 5.460 . 5.460 4.941 4.415 5.461 0.001 12 0 "[ . 1 . 2]" 1
1044 1 19 LEU HA 1 19 LEU MD2 3.970 . 3.970 3.247 2.489 3.745 . 0 0 "[ . 1 . 2]" 1
1045 1 106 VAL MG2 1 110 TYR HA 4.940 . 4.940 4.174 3.011 4.796 . 0 0 "[ . 1 . 2]" 1
1046 1 20 ILE MD 1 106 VAL MG2 4.180 . 4.180 3.316 2.601 4.206 0.026 3 0 "[ . 1 . 2]" 1
1047 1 79 VAL MG2 1 106 VAL MG2 4.380 . 4.380 2.726 2.016 3.875 . 0 0 "[ . 1 . 2]" 1
1048 1 79 VAL MG1 1 106 VAL MG2 4.380 . 4.380 3.181 1.997 4.453 0.073 18 0 "[ . 1 . 2]" 1
1049 1 1 ALA HA 1 2 PRO HD2 3.480 . 3.480 2.514 2.056 3.057 . 0 0 "[ . 1 . 2]" 1
1050 1 16 ILE HA 1 19 LEU MD2 4.850 . 4.850 4.169 3.144 4.894 0.044 15 0 "[ . 1 . 2]" 1
1051 1 66 ILE MD 1 69 VAL MG2 4.470 . 4.470 3.277 2.120 4.161 . 0 0 "[ . 1 . 2]" 1
1052 1 8 LEU HA 1 8 LEU QD 4.080 . 4.080 2.378 1.986 3.427 . 0 0 "[ . 1 . 2]" 1
1053 1 12 GLU QG 1 16 ILE MD 4.590 . 4.590 4.285 3.249 4.716 0.126 5 0 "[ . 1 . 2]" 1
1054 1 16 ILE MD 1 62 LYS HA 3.710 . 3.710 2.822 2.640 3.326 . 0 0 "[ . 1 . 2]" 1
1055 1 42 VAL HA 1 46 LEU MD2 5.380 . 5.380 4.234 4.012 4.468 . 0 0 "[ . 1 . 2]" 1
1056 1 42 VAL HA 1 70 ILE MD 5.500 . 5.500 4.129 3.716 4.591 . 0 0 "[ . 1 . 2]" 1
1057 1 20 ILE HA 1 20 ILE MD 4.190 . 4.190 1.874 1.854 1.896 . 0 0 "[ . 1 . 2]" 1
1058 1 105 VAL HA 1 106 VAL MG1 4.910 . 4.910 3.718 3.504 3.959 . 0 0 "[ . 1 . 2]" 1
1059 1 22 LEU MD1 1 25 ARG QD 4.900 . 4.900 4.722 4.513 4.907 0.007 20 0 "[ . 1 . 2]" 1
1060 1 24 LEU HA 1 27 VAL MG2 4.740 . 4.740 2.797 1.880 3.449 . 0 0 "[ . 1 . 2]" 1
1061 1 43 ASN HA 1 46 LEU MD2 5.500 . 5.500 5.024 4.659 5.294 . 0 0 "[ . 1 . 2]" 1
1062 1 49 ILE MD 1 62 LYS QB 4.300 . 4.300 2.373 1.989 3.578 . 0 0 "[ . 1 . 2]" 1
1063 1 63 LYS HA 1 66 ILE MG 3.710 . 3.710 1.939 1.782 2.143 . 0 0 "[ . 1 . 2]" 1
1064 1 22 LEU HA 1 22 LEU MD1 3.790 . 3.790 3.818 3.763 3.846 0.056 5 0 "[ . 1 . 2]" 1
1065 1 6 LEU HA 1 6 LEU MD1 3.980 . 3.980 3.067 2.017 3.925 . 0 0 "[ . 1 . 2]" 1
1066 1 6 LEU HA 1 6 LEU MD2 3.980 . 3.980 2.651 1.925 3.869 . 0 0 "[ . 1 . 2]" 1
1067 1 1 ALA MB 1 2 PRO QD 3.510 . 3.510 2.616 2.226 2.949 . 0 0 "[ . 1 . 2]" 1
1068 1 6 LEU HA 1 6 LEU QD 3.460 . 3.460 2.235 1.877 2.881 . 0 0 "[ . 1 . 2]" 1
1069 1 6 LEU QB 1 6 LEU QD 2.830 . 2.830 1.994 1.886 2.096 . 0 0 "[ . 1 . 2]" 1
1070 1 6 LEU QD 1 10 PHE QD 3.670 . 3.670 2.750 2.015 3.322 . 0 0 "[ . 1 . 2]" 1
1071 1 6 LEU QD 1 10 PHE QE 3.500 . 3.500 2.937 2.091 3.556 0.056 20 0 "[ . 1 . 2]" 1
1072 1 6 LEU QD 1 10 PHE HZ 4.690 . 4.690 3.950 2.533 4.773 0.083 4 0 "[ . 1 . 2]" 1
1073 1 6 LEU QD 1 13 TYR QB 3.950 . 3.950 3.405 2.108 4.029 0.079 17 0 "[ . 1 . 2]" 1
1074 1 6 LEU QD 1 14 SER H 5.440 . 5.440 4.723 3.608 5.847 0.407 1 0 "[ . 1 . 2]" 1
1075 1 6 LEU QD 1 112 LEU HA 4.260 . 4.260 3.851 2.574 4.411 0.151 11 0 "[ . 1 . 2]" 1
1076 1 6 LEU QD 1 113 GLU H 3.760 . 3.760 2.919 2.280 3.798 0.038 17 0 "[ . 1 . 2]" 1
1077 1 6 LEU QD 1 114 ASP H 4.480 . 4.480 3.072 1.959 4.430 . 0 0 "[ . 1 . 2]" 1
1078 1 11 SER QB 1 12 GLU H 4.450 . 4.450 2.662 2.277 3.370 . 0 0 "[ . 1 . 2]" 1
1079 1 12 GLU QB 1 13 TYR H 3.620 . 3.620 2.767 2.219 3.605 . 0 0 "[ . 1 . 2]" 1
1080 1 12 GLU QB 1 14 SER H 5.180 . 5.180 4.779 4.377 5.162 . 0 0 "[ . 1 . 2]" 1
1081 1 12 GLU QB 1 61 ASN HD21 4.760 . 4.760 4.042 2.740 4.760 . 0 0 "[ . 1 . 2]" 1
1082 1 13 TYR H 1 13 TYR QB 3.410 . 3.410 2.347 2.181 2.492 . 0 0 "[ . 1 . 2]" 1
1083 1 13 TYR QB 1 14 SER H 3.960 . 3.960 2.678 2.304 2.991 . 0 0 "[ . 1 . 2]" 1
1084 1 16 ILE H 1 18 ASN QB 5.340 . 5.340 4.664 4.252 5.143 . 0 0 "[ . 1 . 2]" 1
1085 1 16 ILE HA 1 19 LEU QD 3.870 . 3.870 3.278 2.876 3.691 . 0 0 "[ . 1 . 2]" 1
1086 1 16 ILE MG 1 69 VAL QG 3.270 . 3.270 1.811 1.675 1.909 . 0 0 "[ . 1 . 2]" 1
1087 1 16 ILE MD 1 62 LYS QE 4.310 . 4.310 3.444 2.727 4.110 . 0 0 "[ . 1 . 2]" 1
1088 1 17 SER H 1 18 ASN QB 4.740 . 4.740 4.445 4.184 4.691 . 0 0 "[ . 1 . 2]" 1
1089 1 17 SER H 1 19 LEU QD 5.440 . 5.440 5.125 4.843 5.442 0.002 20 0 "[ . 1 . 2]" 1
1090 1 17 SER H 1 69 VAL QG 5.440 . 5.440 4.054 3.321 4.456 . 0 0 "[ . 1 . 2]" 1
1091 1 18 ASN H 1 18 ASN QB 3.090 . 3.090 2.244 2.134 2.368 . 0 0 "[ . 1 . 2]" 1
1092 1 18 ASN H 1 18 ASN QD 4.920 . 4.920 4.307 3.515 4.631 . 0 0 "[ . 1 . 2]" 1
1093 1 18 ASN H 1 19 LEU QD 5.380 . 5.380 5.198 5.025 5.383 0.003 17 0 "[ . 1 . 2]" 1
1094 1 18 ASN H 1 21 VAL QG 5.310 . 5.310 4.256 3.830 4.661 . 0 0 "[ . 1 . 2]" 1
1095 1 18 ASN QB 1 20 ILE H 5.340 . 5.340 4.672 4.545 4.799 . 0 0 "[ . 1 . 2]" 1
1096 1 18 ASN QB 1 22 LEU H 4.960 . 4.960 4.843 4.349 5.073 0.113 13 0 "[ . 1 . 2]" 1
1097 1 18 ASN QD 1 22 LEU MD1 3.740 . 3.740 2.500 1.932 3.648 . 0 0 "[ . 1 . 2]" 1
1098 1 19 LEU H 1 19 LEU QD 3.540 . 3.540 3.588 3.541 3.690 0.150 17 0 "[ . 1 . 2]" 1
1099 1 19 LEU HA 1 19 LEU QD 3.410 . 3.410 3.008 2.446 3.331 . 0 0 "[ . 1 . 2]" 1
1100 1 19 LEU HA 1 22 LEU QB 3.870 . 3.870 2.699 2.477 2.927 . 0 0 "[ . 1 . 2]" 1
1101 1 19 LEU QD 1 20 ILE H 3.940 . 3.940 2.510 2.282 2.862 . 0 0 "[ . 1 . 2]" 1
1102 1 19 LEU QD 1 20 ILE MG 4.080 . 4.080 3.952 3.819 4.034 . 0 0 "[ . 1 . 2]" 1
1103 1 19 LEU QD 1 20 ILE MD 3.850 . 3.850 2.276 2.137 2.420 . 0 0 "[ . 1 . 2]" 1
1104 1 19 LEU QD 1 21 VAL H 4.470 . 4.470 4.412 4.271 4.518 0.048 20 0 "[ . 1 . 2]" 1
1105 1 19 LEU QD 1 23 HIS H 4.910 . 4.910 3.877 3.195 4.465 . 0 0 "[ . 1 . 2]" 1
1106 1 19 LEU QD 1 44 TRP HE1 4.690 . 4.690 3.766 3.337 4.232 . 0 0 "[ . 1 . 2]" 1
1107 1 19 LEU QD 1 44 TRP HZ2 3.460 . 3.460 2.661 2.136 3.223 . 0 0 "[ . 1 . 2]" 1
1108 1 19 LEU QD 1 44 TRP HH2 3.560 . 3.560 2.748 2.173 3.366 . 0 0 "[ . 1 . 2]" 1
1109 1 19 LEU QD 1 45 TYR H 4.490 . 4.490 4.038 3.612 4.494 0.004 15 0 "[ . 1 . 2]" 1
1110 1 19 LEU QD 1 45 TYR QD 3.370 . 3.370 2.305 2.033 2.612 . 0 0 "[ . 1 . 2]" 1
1111 1 19 LEU QD 1 45 TYR QE 3.490 . 3.490 3.231 2.928 3.506 0.016 1 0 "[ . 1 . 2]" 1
1112 1 19 LEU QD 1 66 ILE MD 3.790 . 3.790 1.990 1.813 2.202 . 0 0 "[ . 1 . 2]" 1
1113 1 20 ILE H 1 20 ILE QG 3.970 . 3.970 2.561 2.421 2.694 . 0 0 "[ . 1 . 2]" 1
1114 1 20 ILE QG 1 21 VAL H 5.210 . 5.210 4.260 4.207 4.337 . 0 0 "[ . 1 . 2]" 1
1115 1 21 VAL H 1 21 VAL QG 3.720 . 3.720 2.010 1.875 2.125 . 0 0 "[ . 1 . 2]" 1
1116 1 21 VAL QG 1 22 LEU H 3.580 . 3.580 2.686 2.156 3.224 . 0 0 "[ . 1 . 2]" 1
1117 1 21 VAL QG 1 22 LEU HA 4.910 . 4.910 3.398 3.165 3.609 . 0 0 "[ . 1 . 2]" 1
1118 1 21 VAL QG 1 22 LEU HG 4.160 . 4.160 3.104 2.136 3.885 . 0 0 "[ . 1 . 2]" 1
1119 1 21 VAL QG 1 25 ARG QD 4.090 . 4.090 2.903 2.006 4.033 . 0 0 "[ . 1 . 2]" 1
1120 1 22 LEU QB 1 22 LEU MD1 2.930 . 2.930 2.039 2.005 2.064 . 0 0 "[ . 1 . 2]" 1
1121 1 22 LEU QB 1 23 HIS H 3.350 . 3.350 2.488 2.363 2.557 . 0 0 "[ . 1 . 2]" 1
1122 1 22 LEU QB 1 25 ARG QD 4.390 . 4.390 4.022 3.724 4.334 . 0 0 "[ . 1 . 2]" 1
1123 1 24 LEU HA 1 27 VAL QG 3.620 . 3.620 2.682 1.875 3.254 . 0 0 "[ . 1 . 2]" 1
1124 1 24 LEU QB 1 27 VAL QG 4.340 . 4.340 4.101 3.566 4.432 0.092 1 0 "[ . 1 . 2]" 1
1125 1 24 LEU QD 1 27 VAL QG 3.670 . 3.670 2.903 2.272 3.722 0.052 2 0 "[ . 1 . 2]" 1
1126 1 27 VAL H 1 27 VAL QG 3.110 . 3.110 2.152 1.936 2.452 . 0 0 "[ . 1 . 2]" 1
1127 1 27 VAL HA 1 30 GLU QG 4.840 . 4.840 4.222 2.230 4.914 0.074 17 0 "[ . 1 . 2]" 1
1128 1 27 VAL QG 1 28 GLU H 3.860 . 3.860 2.827 2.162 3.305 . 0 0 "[ . 1 . 2]" 1
1129 1 27 VAL QG 1 28 GLU HA 4.950 . 4.950 3.262 2.989 3.639 . 0 0 "[ . 1 . 2]" 1
1130 1 27 VAL QG 1 28 GLU QB 4.440 . 4.440 3.669 3.151 4.164 . 0 0 "[ . 1 . 2]" 1
1131 1 27 VAL QG 1 28 GLU QG 4.420 . 4.420 4.130 3.379 4.520 0.100 1 0 "[ . 1 . 2]" 1
1132 1 27 VAL QG 1 30 GLU H 5.200 . 5.200 4.501 4.258 4.782 . 0 0 "[ . 1 . 2]" 1
1133 1 27 VAL QG 1 31 GLU H 4.800 . 4.800 3.720 3.330 4.152 . 0 0 "[ . 1 . 2]" 1
1134 1 27 VAL QG 1 31 GLU QB 4.410 . 4.410 3.145 2.045 4.465 0.055 6 0 "[ . 1 . 2]" 1
1135 1 27 VAL QG 1 31 GLU QG 4.340 . 4.340 3.148 1.935 4.364 0.024 14 0 "[ . 1 . 2]" 1
1136 1 27 VAL QG 1 33 GLU QB 5.280 . 5.280 4.404 2.298 5.249 . 0 0 "[ . 1 . 2]" 1
1137 1 27 VAL QG 1 34 SER H 4.530 . 4.530 3.327 1.610 4.313 . 0 0 "[ . 1 . 2]" 1
1138 1 27 VAL QG 1 34 SER HA 4.720 . 4.720 2.502 1.756 3.947 . 0 0 "[ . 1 . 2]" 1
1139 1 27 VAL QG 1 34 SER QB 4.530 . 4.530 2.774 1.679 4.637 0.107 2 0 "[ . 1 . 2]" 1
1140 1 27 VAL QG 1 35 ALA H 5.440 . 5.440 3.832 2.714 4.642 . 0 0 "[ . 1 . 2]" 1
1141 1 28 GLU H 1 28 GLU QG 3.310 . 3.310 2.154 1.996 2.310 . 0 0 "[ . 1 . 2]" 1
1142 1 28 GLU HA 1 28 GLU QG 3.640 . 3.640 3.353 3.309 3.433 . 0 0 "[ . 1 . 2]" 1
1143 1 28 GLU QG 1 29 GLU H 3.210 . 3.210 2.402 2.222 2.595 . 0 0 "[ . 1 . 2]" 1
1144 1 28 GLU QG 1 29 GLU HA 3.950 . 3.950 3.497 3.248 4.039 0.089 18 0 "[ . 1 . 2]" 1
1145 1 30 GLU H 1 30 GLU QG 3.150 . 3.150 2.385 1.935 2.667 . 0 0 "[ . 1 . 2]" 1
1146 1 30 GLU HA 1 30 GLU QG 3.390 . 3.390 2.595 2.239 3.355 . 0 0 "[ . 1 . 2]" 1
1147 1 30 GLU QG 1 31 GLU H 4.570 . 4.570 3.900 2.243 4.192 . 0 0 "[ . 1 . 2]" 1
1148 1 32 ASP H 1 32 ASP QB 3.620 . 3.620 3.114 2.750 3.424 . 0 0 "[ . 1 . 2]" 1
1149 1 33 GLU H 1 33 GLU QB 3.590 . 3.590 2.682 2.139 3.449 . 0 0 "[ . 1 . 2]" 1
1150 1 33 GLU QB 1 34 SER H 3.850 . 3.850 3.317 1.681 3.867 0.017 18 0 "[ . 1 . 2]" 1
1151 1 33 GLU QB 1 35 ALA H 4.020 . 4.020 3.436 2.514 4.176 0.156 14 0 "[ . 1 . 2]" 1
1152 1 35 ALA H 1 105 VAL QG 4.310 . 4.310 3.734 2.073 4.414 0.104 14 0 "[ . 1 . 2]" 1
1153 1 35 ALA HA 1 105 VAL QG 3.870 . 3.870 3.017 1.885 3.911 0.041 8 0 "[ . 1 . 2]" 1
1154 1 35 ALA MB 1 103 TYR QB 4.230 . 4.230 2.509 1.830 4.192 . 0 0 "[ . 1 . 2]" 1
1155 1 35 ALA MB 1 105 VAL QG 3.400 . 3.400 2.449 2.066 3.536 0.136 16 0 "[ . 1 . 2]" 1
1156 1 39 SER HA 1 42 VAL QG 4.250 . 4.250 2.820 2.194 3.336 . 0 0 "[ . 1 . 2]" 1
1157 1 41 LEU H 1 42 VAL QG 4.560 . 4.560 3.953 3.751 4.162 . 0 0 "[ . 1 . 2]" 1
1158 1 42 VAL H 1 42 VAL QG 2.940 . 2.940 1.945 1.819 2.000 . 0 0 "[ . 1 . 2]" 1
1159 1 42 VAL QG 1 43 ASN HA 4.420 . 4.420 3.540 3.203 3.722 . 0 0 "[ . 1 . 2]" 1
1160 1 42 VAL QG 1 44 TRP H 5.440 . 5.440 4.854 4.563 4.993 . 0 0 "[ . 1 . 2]" 1
1161 1 42 VAL QG 1 45 TYR H 4.710 . 4.710 4.374 4.240 4.473 . 0 0 "[ . 1 . 2]" 1
1162 1 42 VAL QG 1 45 TYR QD 3.790 . 3.790 3.428 3.055 3.550 . 0 0 "[ . 1 . 2]" 1
1163 1 42 VAL QG 1 45 TYR QE 4.900 . 4.900 4.930 4.741 4.977 0.077 13 0 "[ . 1 . 2]" 1
1164 1 42 VAL QG 1 46 LEU H 3.750 . 3.750 3.736 3.609 3.802 0.052 9 0 "[ . 1 . 2]" 1
1165 1 42 VAL QG 1 46 LEU MD1 3.460 . 3.460 2.025 1.938 2.185 . 0 0 "[ . 1 . 2]" 1
1166 1 42 VAL QG 1 46 LEU MD2 3.490 . 3.490 2.520 2.218 2.820 . 0 0 "[ . 1 . 2]" 1
1167 1 42 VAL QG 1 63 LYS H 5.440 . 5.440 5.254 4.829 5.505 0.065 1 0 "[ . 1 . 2]" 1
1168 1 42 VAL QG 1 63 LYS HA 4.440 . 4.440 3.175 2.732 3.465 . 0 0 "[ . 1 . 2]" 1
1169 1 42 VAL QG 1 63 LYS QB 4.560 . 4.560 3.914 3.412 4.241 . 0 0 "[ . 1 . 2]" 1
1170 1 42 VAL QG 1 63 LYS QE 4.270 . 4.270 3.680 1.931 4.344 0.074 19 0 "[ . 1 . 2]" 1
1171 1 42 VAL QG 1 66 ILE HG12 3.940 . 3.940 2.529 2.107 3.178 . 0 0 "[ . 1 . 2]" 1
1172 1 42 VAL QG 1 67 GLU H 4.130 . 4.130 3.856 3.535 4.129 . 0 0 "[ . 1 . 2]" 1
1173 1 42 VAL QG 1 67 GLU HA 4.510 . 4.510 3.538 3.090 3.891 . 0 0 "[ . 1 . 2]" 1
1174 1 42 VAL QG 1 67 GLU QB 4.870 . 4.870 3.557 2.853 4.621 . 0 0 "[ . 1 . 2]" 1
1175 1 42 VAL QG 1 70 ILE MG 4.350 . 4.350 4.053 3.806 4.366 0.016 15 0 "[ . 1 . 2]" 1
1176 1 42 VAL QG 1 70 ILE MD 3.210 . 3.210 2.156 1.964 2.727 . 0 0 "[ . 1 . 2]" 1
1177 1 43 ASN H 1 45 TYR QB 4.600 . 4.600 4.525 4.468 4.573 . 0 0 "[ . 1 . 2]" 1
1178 1 45 TYR H 1 45 TYR QB 3.370 . 3.370 2.258 2.224 2.293 . 0 0 "[ . 1 . 2]" 1
1179 1 45 TYR QB 1 46 LEU H 3.590 . 3.590 2.321 2.227 2.420 . 0 0 "[ . 1 . 2]" 1
1180 1 51 SER H 1 51 SER QB 3.590 . 3.590 2.434 2.201 2.675 . 0 0 "[ . 1 . 2]" 1
1181 1 53 ILE HA 1 58 GLU QG 4.250 . 4.250 3.467 2.948 4.311 0.061 8 0 "[ . 1 . 2]" 1
1182 1 53 ILE MG 1 58 GLU QG 3.560 . 3.560 3.534 3.281 3.649 0.089 14 0 "[ . 1 . 2]" 1
1183 1 53 ILE MD 1 58 GLU QG 4.140 . 4.140 3.483 3.069 3.908 . 0 0 "[ . 1 . 2]" 1
1184 1 54 ASP H 1 58 GLU QG 3.950 . 3.950 3.084 2.091 3.963 0.013 8 0 "[ . 1 . 2]" 1
1185 1 54 ASP QB 1 55 SER H 4.000 . 4.000 3.055 2.703 3.814 . 0 0 "[ . 1 . 2]" 1
1186 1 55 SER H 1 58 GLU QG 3.620 . 3.620 2.946 2.296 3.678 0.058 9 0 "[ . 1 . 2]" 1
1187 1 55 SER QB 1 57 GLU H 3.380 . 3.380 2.969 2.387 3.432 0.052 10 0 "[ . 1 . 2]" 1
1188 1 55 SER QB 1 57 GLU QB 3.780 . 3.780 2.968 2.565 3.636 . 0 0 "[ . 1 . 2]" 1
1189 1 55 SER QB 1 58 GLU H 3.800 . 3.800 2.814 2.278 3.350 . 0 0 "[ . 1 . 2]" 1
1190 1 57 GLU H 1 57 GLU QB 3.100 . 3.100 2.420 2.126 2.593 . 0 0 "[ . 1 . 2]" 1
1191 1 57 GLU QB 1 58 GLU H 2.990 . 2.990 2.527 2.297 2.939 . 0 0 "[ . 1 . 2]" 1
1192 1 58 GLU H 1 58 GLU QG 3.130 . 3.130 2.339 1.901 3.139 0.009 9 0 "[ . 1 . 2]" 1
1193 1 58 GLU HA 1 58 GLU QG 3.430 . 3.430 2.782 2.243 3.190 . 0 0 "[ . 1 . 2]" 1
1194 1 58 GLU QG 1 59 LEU H 4.060 . 4.060 3.994 3.689 4.176 0.116 9 0 "[ . 1 . 2]" 1
1195 1 61 ASN HD21 1 62 LYS QE 4.760 . 4.760 3.632 2.548 4.712 . 0 0 "[ . 1 . 2]" 1
1196 1 61 ASN HD22 1 62 LYS QE 4.660 . 4.660 3.961 2.771 4.709 0.049 14 0 "[ . 1 . 2]" 1
1197 1 65 ILE MG 1 69 VAL QG 3.690 . 3.690 2.332 2.103 2.550 . 0 0 "[ . 1 . 2]" 1
1198 1 65 ILE MD 1 69 VAL QG 4.230 . 4.230 4.152 3.918 4.365 0.135 16 0 "[ . 1 . 2]" 1
1199 1 66 ILE HA 1 69 VAL QG 3.810 . 3.810 2.729 1.962 3.299 . 0 0 "[ . 1 . 2]" 1
1200 1 66 ILE MD 1 69 VAL QG 3.910 . 3.910 2.898 2.109 3.571 . 0 0 "[ . 1 . 2]" 1
1201 1 68 LYS H 1 69 VAL QG 4.950 . 4.950 4.042 3.709 4.269 . 0 0 "[ . 1 . 2]" 1
1202 1 69 VAL QG 1 72 ARG H 5.440 . 5.440 4.339 4.207 4.577 . 0 0 "[ . 1 . 2]" 1
1203 1 69 VAL QG 1 72 ARG QB 4.440 . 4.440 3.466 3.034 4.057 . 0 0 "[ . 1 . 2]" 1
1204 1 69 VAL QG 1 73 LEU H 4.770 . 4.770 4.030 3.640 4.529 . 0 0 "[ . 1 . 2]" 1
1205 1 70 ILE HA 1 73 LEU QD 4.920 . 4.920 2.702 2.319 3.201 . 0 0 "[ . 1 . 2]" 1
1206 1 71 HIS H 1 71 HIS QB 3.280 . 3.280 2.223 2.169 2.274 . 0 0 "[ . 1 . 2]" 1
1207 1 71 HIS QB 1 71 HIS HE1 4.600 . 4.600 4.509 4.468 4.538 . 0 0 "[ . 1 . 2]" 1
1208 1 71 HIS QB 1 72 ARG H 3.600 . 3.600 2.508 2.374 2.724 . 0 0 "[ . 1 . 2]" 1
1209 1 71 HIS HE1 1 75 HIS QB 4.240 . 4.240 3.892 3.169 4.284 0.044 1 0 "[ . 1 . 2]" 1
1210 1 73 LEU H 1 73 LEU QD 4.130 . 4.130 3.624 3.371 3.687 . 0 0 "[ . 1 . 2]" 1
1211 1 73 LEU HA 1 73 LEU QD 3.940 . 3.940 2.420 2.030 3.074 . 0 0 "[ . 1 . 2]" 1
1212 1 73 LEU HA 1 79 VAL QG 4.810 . 4.810 3.093 2.411 3.961 . 0 0 "[ . 1 . 2]" 1
1213 1 73 LEU QD 1 74 THR H 4.080 . 4.080 3.556 3.027 4.020 . 0 0 "[ . 1 . 2]" 1
1214 1 73 LEU QD 1 74 THR HA 4.640 . 4.640 3.680 2.634 4.292 . 0 0 "[ . 1 . 2]" 1
1215 1 73 LEU QD 1 74 THR MG 3.820 . 3.820 3.049 2.247 3.883 0.063 20 0 "[ . 1 . 2]" 1
1216 1 73 LEU QD 1 75 HIS H 4.960 . 4.960 4.888 4.507 5.058 0.098 2 0 "[ . 1 . 2]" 1
1217 1 73 LEU QD 1 77 ASP H 5.440 . 5.440 4.969 4.237 5.471 0.031 8 0 "[ . 1 . 2]" 1
1218 1 73 LEU QD 1 79 VAL H 4.170 . 4.170 3.089 2.540 3.933 . 0 0 "[ . 1 . 2]" 1
1219 1 73 LEU QD 1 79 VAL QG 4.040 . 4.040 2.028 1.822 2.531 . 0 0 "[ . 1 . 2]" 1
1220 1 73 LEU QD 1 80 LEU H 3.770 . 3.770 3.258 2.555 3.845 0.075 2 0 "[ . 1 . 2]" 1
1221 1 73 LEU QD 1 80 LEU HA 4.110 . 4.110 3.047 2.255 3.980 . 0 0 "[ . 1 . 2]" 1
1222 1 73 LEU QD 1 80 LEU QB 4.290 . 4.290 2.192 1.712 2.972 . 0 0 "[ . 1 . 2]" 1
1223 1 73 LEU QD 1 110 TYR QD 3.830 . 3.830 2.905 2.075 3.501 . 0 0 "[ . 1 . 2]" 1
1224 1 73 LEU QD 1 110 TYR QE 3.160 . 3.160 2.225 1.831 2.951 . 0 0 "[ . 1 . 2]" 1
1225 1 75 HIS QB 1 76 TYR QD 4.180 . 4.180 2.796 2.096 3.533 . 0 0 "[ . 1 . 2]" 1
1226 1 75 HIS QB 1 76 TYR QE 3.820 . 3.820 3.311 2.805 3.802 . 0 0 "[ . 1 . 2]" 1
1227 1 75 HIS QB 1 77 ASP H 4.710 . 4.710 4.612 4.271 4.755 0.045 14 0 "[ . 1 . 2]" 1
1228 1 76 TYR QB 1 77 ASP H 3.850 . 3.850 2.336 2.060 2.662 . 0 0 "[ . 1 . 2]" 1
1229 1 76 TYR QB 1 78 HIS H 5.090 . 5.090 4.640 4.339 5.066 . 0 0 "[ . 1 . 2]" 1
1230 1 77 ASP H 1 79 VAL QG 5.420 . 5.420 4.567 4.255 5.055 . 0 0 "[ . 1 . 2]" 1
1231 1 77 ASP HA 1 79 VAL QG 5.010 . 5.010 4.059 3.370 4.675 . 0 0 "[ . 1 . 2]" 1
1232 1 78 HIS H 1 78 HIS QB 3.690 . 3.690 3.109 2.912 3.390 . 0 0 "[ . 1 . 2]" 1
1233 1 78 HIS H 1 79 VAL QG 4.360 . 4.360 3.631 3.316 4.085 . 0 0 "[ . 1 . 2]" 1
1234 1 79 VAL H 1 79 VAL QG 3.260 . 3.260 1.989 1.797 2.154 . 0 0 "[ . 1 . 2]" 1
1235 1 79 VAL QG 1 80 LEU H 3.340 . 3.340 3.163 2.712 3.369 0.029 10 0 "[ . 1 . 2]" 1
1236 1 79 VAL QG 1 80 LEU HA 3.730 . 3.730 3.606 3.295 3.793 0.063 7 0 "[ . 1 . 2]" 1
1237 1 79 VAL QG 1 80 LEU QB 4.030 . 4.030 3.586 3.196 3.994 . 0 0 "[ . 1 . 2]" 1
1238 1 79 VAL QG 1 106 VAL HA 4.260 . 4.260 3.922 3.362 4.284 0.024 12 0 "[ . 1 . 2]" 1
1239 1 79 VAL QG 1 106 VAL MG2 3.810 . 3.810 2.299 1.850 3.010 . 0 0 "[ . 1 . 2]" 1
1240 1 79 VAL QG 1 107 ASN H 3.820 . 3.820 3.068 2.104 3.972 0.152 3 0 "[ . 1 . 2]" 1
1241 1 79 VAL QG 1 110 TYR QD 3.440 . 3.440 2.385 1.774 3.113 . 0 0 "[ . 1 . 2]" 1
1242 1 79 VAL QG 1 110 TYR QE 3.540 . 3.540 3.074 2.210 3.617 0.077 2 0 "[ . 1 . 2]" 1
1243 1 79 VAL QG 1 111 LEU MD1 3.650 . 3.650 2.767 1.830 3.792 0.142 12 0 "[ . 1 . 2]" 1
1244 1 79 VAL QG 1 111 LEU MD2 4.520 . 4.520 3.952 2.879 4.656 0.136 17 0 "[ . 1 . 2]" 1
1245 1 81 ILE H 1 105 VAL QG 3.590 . 3.590 3.152 2.670 3.575 . 0 0 "[ . 1 . 2]" 1
1246 1 81 ILE HA 1 105 VAL QG 4.550 . 4.550 4.139 3.845 4.614 0.064 20 0 "[ . 1 . 2]" 1
1247 1 81 ILE HB 1 105 VAL QG 3.510 . 3.510 1.909 1.751 2.674 . 0 0 "[ . 1 . 2]" 1
1248 1 81 ILE MG 1 105 VAL QG 3.290 . 3.290 2.644 2.285 3.048 . 0 0 "[ . 1 . 2]" 1
1249 1 81 ILE QG 1 105 VAL QG 4.830 . 4.830 3.394 3.235 3.720 . 0 0 "[ . 1 . 2]" 1
1250 1 81 ILE MD 1 105 VAL QG 2.900 . 2.900 2.374 2.050 2.667 . 0 0 "[ . 1 . 2]" 1
1251 1 82 GLU H 1 105 VAL QG 4.670 . 4.670 4.449 3.974 4.706 0.036 1 0 "[ . 1 . 2]" 1
1252 1 83 LEU H 1 88 LEU QD 5.170 . 5.170 3.973 1.719 5.038 . 0 0 "[ . 1 . 2]" 1
1253 1 83 LEU QB 1 88 LEU QD 4.090 . 4.090 2.472 1.785 3.774 . 0 0 "[ . 1 . 2]" 1
1254 1 83 LEU HG 1 105 VAL QG 4.890 . 4.890 3.091 1.940 4.643 . 0 0 "[ . 1 . 2]" 1
1255 1 84 THR H 1 88 LEU QD 4.160 . 4.160 3.541 1.710 4.249 0.089 17 0 "[ . 1 . 2]" 1
1256 1 84 THR MG 1 88 LEU QD 4.570 . 4.570 4.179 3.419 4.668 0.098 13 0 "[ . 1 . 2]" 1
1257 1 85 GLN H 1 85 GLN QB 3.310 . 3.310 2.536 2.109 3.356 0.046 1 0 "[ . 1 . 2]" 1
1258 1 85 GLN HA 1 88 LEU QD 4.480 . 4.480 2.358 1.877 4.126 . 0 0 "[ . 1 . 2]" 1
1259 1 85 GLN QB 1 85 GLN QE 3.420 . 3.420 2.853 1.756 3.597 0.177 9 0 "[ . 1 . 2]" 1
1260 1 85 GLN QB 1 86 ALA H 3.990 . 3.990 3.208 1.993 3.913 . 0 0 "[ . 1 . 2]" 1
1261 1 85 GLN QB 1 86 ALA HA 4.960 . 4.960 4.407 3.964 4.941 . 0 0 "[ . 1 . 2]" 1
1262 1 85 GLN QG 1 88 LEU QD 4.260 . 4.260 3.877 2.901 4.346 0.086 18 0 "[ . 1 . 2]" 1
1263 1 85 GLN QE 1 86 ALA MB 4.800 . 4.800 4.403 3.223 4.897 0.097 8 0 "[ . 1 . 2]" 1
1264 1 86 ALA HA 1 88 LEU QD 5.430 . 5.430 4.857 3.745 5.535 0.105 12 0 "[ . 1 . 2]" 1
1265 1 86 ALA MB 1 88 LEU QD 4.820 . 4.820 4.753 4.041 4.931 0.111 5 0 "[ . 1 . 2]" 1
1266 1 87 GLY QA 1 88 LEU QD 4.500 . 4.500 4.015 3.304 4.579 0.079 19 0 "[ . 1 . 2]" 1
1267 1 88 LEU H 1 88 LEU QD 3.520 . 3.520 3.067 2.530 3.396 . 0 0 "[ . 1 . 2]" 1
1268 1 88 LEU H 1 89 LYS QB 4.960 . 4.960 4.529 3.738 4.996 0.036 8 0 "[ . 1 . 2]" 1
1269 1 88 LEU HA 1 88 LEU QD 3.610 . 3.610 2.244 1.962 3.462 . 0 0 "[ . 1 . 2]" 1
1270 1 88 LEU QD 1 89 LYS H 4.540 . 4.540 3.921 2.640 4.394 . 0 0 "[ . 1 . 2]" 1
1271 1 88 LEU QD 1 103 TYR H 3.890 . 3.890 3.181 2.636 3.925 0.035 10 0 "[ . 1 . 2]" 1
1272 1 88 LEU QD 1 103 TYR QB 4.240 . 4.240 3.309 2.054 4.369 0.129 14 0 "[ . 1 . 2]" 1
1273 1 88 LEU QD 1 103 TYR QD 4.370 . 4.370 2.717 1.896 4.455 0.085 16 0 "[ . 1 . 2]" 1
1274 1 93 GLU H 1 93 GLU QB 3.380 . 3.380 2.497 2.240 3.379 . 0 0 "[ . 1 . 2]" 1
1275 1 96 GLU H 1 96 GLU QB 3.500 . 3.500 2.671 2.265 3.322 . 0 0 "[ . 1 . 2]" 1
1276 1 96 GLU QB 1 97 SER H 3.800 . 3.800 2.971 1.955 3.823 0.023 17 0 "[ . 1 . 2]" 1
1277 1 96 GLU QB 1 98 TYR H 4.040 . 4.040 2.918 1.989 3.677 . 0 0 "[ . 1 . 2]" 1
1278 1 96 GLU QB 1 98 TYR QD 3.660 . 3.660 2.123 1.814 2.689 . 0 0 "[ . 1 . 2]" 1
1279 1 96 GLU QB 1 98 TYR QE 3.760 . 3.760 2.510 1.972 3.132 . 0 0 "[ . 1 . 2]" 1
1280 1 98 TYR QB 1 99 GLU H 3.700 . 3.700 3.672 3.426 3.768 0.068 12 0 "[ . 1 . 2]" 1
1281 1 98 TYR QD 1 99 GLU QB 4.380 . 4.380 4.230 3.442 4.476 0.096 11 0 "[ . 1 . 2]" 1
1282 1 99 GLU H 1 99 GLU QB 2.980 . 2.980 2.511 2.233 3.005 0.025 18 0 "[ . 1 . 2]" 1
1283 1 99 GLU QB 1 100 GLU H 3.480 . 3.480 2.781 1.937 3.594 0.114 18 0 "[ . 1 . 2]" 1
1284 1 100 GLU H 1 100 GLU QB 3.270 . 3.270 2.766 2.171 3.376 0.106 15 0 "[ . 1 . 2]" 1
1285 1 100 GLU QB 1 101 ASP H 3.440 . 3.440 2.487 1.723 3.483 0.043 13 0 "[ . 1 . 2]" 1
1286 1 101 ASP H 1 101 ASP QB 3.310 . 3.310 2.446 2.158 2.891 . 0 0 "[ . 1 . 2]" 1
1287 1 103 TYR H 1 103 TYR QB 3.400 . 3.400 2.666 2.284 3.364 . 0 0 "[ . 1 . 2]" 1
1288 1 103 TYR QB 1 104 LEU H 3.970 . 3.970 2.923 1.676 3.627 . 0 0 "[ . 1 . 2]" 1
1289 1 104 LEU QD 1 105 VAL QG 4.320 . 4.320 4.157 3.410 4.365 0.045 15 0 "[ . 1 . 2]" 1
1290 1 105 VAL H 1 105 VAL QG 3.340 . 3.340 2.248 2.088 2.528 . 0 0 "[ . 1 . 2]" 1
1291 1 105 VAL QG 1 106 VAL H 4.340 . 4.340 2.343 2.085 2.511 . 0 0 "[ . 1 . 2]" 1
1292 1 105 VAL QG 1 106 VAL HB 4.740 . 4.740 4.558 4.398 4.747 0.007 18 0 "[ . 1 . 2]" 1
1293 1 106 VAL MG1 1 107 ASN QB 5.230 . 5.230 4.777 4.253 5.152 . 0 0 "[ . 1 . 2]" 1
1294 1 106 VAL MG2 1 107 ASN QB 4.370 . 4.370 3.526 3.000 4.406 0.036 3 0 "[ . 1 . 2]" 1
1295 1 107 ASN H 1 107 ASN QB 3.610 . 3.610 2.408 2.146 3.338 . 0 0 "[ . 1 . 2]" 1
1296 1 107 ASN QB 1 109 ASN H 3.420 . 3.420 2.922 2.396 3.534 0.114 4 0 "[ . 1 . 2]" 1
1297 1 107 ASN QB 1 109 ASN QB 4.130 . 4.130 3.658 2.759 4.228 0.098 3 0 "[ . 1 . 2]" 1
1298 1 107 ASN QB 1 110 TYR H 5.090 . 5.090 4.304 3.004 5.154 0.064 8 0 "[ . 1 . 2]" 1
1299 1 108 PRO QB 1 109 ASN H 3.700 . 3.700 3.390 2.708 3.815 0.115 4 0 "[ . 1 . 2]" 1
1300 1 109 ASN H 1 109 ASN QB 3.500 . 3.500 2.556 2.292 3.231 . 0 0 "[ . 1 . 2]" 1
1301 1 109 ASN H 1 110 TYR QB 5.040 . 5.040 4.375 3.690 4.908 . 0 0 "[ . 1 . 2]" 1
1302 1 109 ASN QB 1 110 TYR H 4.280 . 4.280 3.285 1.961 4.003 . 0 0 "[ . 1 . 2]" 1
1303 1 110 TYR H 1 110 TYR QB 3.280 . 3.280 2.489 2.162 3.057 . 0 0 "[ . 1 . 2]" 1
1304 1 111 LEU QB 1 111 LEU MD2 3.080 . 3.080 2.403 2.336 2.511 . 0 0 "[ . 1 . 2]" 1
1305 1 113 GLU H 1 113 GLU QB 2.940 . 2.940 2.469 2.167 3.002 0.062 12 0 "[ . 1 . 2]" 1
1306 1 113 GLU QB 1 114 ASP H 3.290 . 3.290 2.419 1.709 3.234 . 0 0 "[ . 1 . 2]" 1
1307 1 114 ASP H 1 114 ASP QB 3.050 . 3.050 2.725 2.428 3.102 0.052 12 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 58
_Distance_constraint_stats_list.Viol_count 478
_Distance_constraint_stats_list.Viol_total 1128.840
_Distance_constraint_stats_list.Viol_max 0.335
_Distance_constraint_stats_list.Viol_rms 0.0799
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0487
_Distance_constraint_stats_list.Viol_average_violations_only 0.1181
_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 12 GLU 4.025 0.249 5 0 "[ . 1 . 2]"
1 13 TYR 0.336 0.113 10 0 "[ . 1 . 2]"
1 14 SER 0.337 0.096 14 0 "[ . 1 . 2]"
1 15 ARG 5.248 0.315 8 0 "[ . 1 . 2]"
1 16 ILE 10.430 0.300 3 0 "[ . 1 . 2]"
1 17 SER 3.593 0.220 2 0 "[ . 1 . 2]"
1 18 ASN 0.535 0.096 14 0 "[ . 1 . 2]"
1 19 LEU 5.504 0.315 8 0 "[ . 1 . 2]"
1 20 ILE 9.570 0.300 3 0 "[ . 1 . 2]"
1 21 VAL 5.187 0.220 2 0 "[ . 1 . 2]"
1 22 LEU 2.606 0.261 2 0 "[ . 1 . 2]"
1 23 HIS 0.408 0.067 6 0 "[ . 1 . 2]"
1 24 LEU 3.288 0.215 3 0 "[ . 1 . 2]"
1 25 ARG 1.930 0.208 8 0 "[ . 1 . 2]"
1 26 LYS 2.407 0.261 2 0 "[ . 1 . 2]"
1 27 VAL 0.152 0.067 6 0 "[ . 1 . 2]"
1 28 GLU 0.122 0.038 20 0 "[ . 1 . 2]"
1 39 SER 0.539 0.201 14 0 "[ . 1 . 2]"
1 40 GLU 1.114 0.151 2 0 "[ . 1 . 2]"
1 41 LEU 7.341 0.309 14 0 "[ . 1 . 2]"
1 42 VAL 0.147 0.086 15 0 "[ . 1 . 2]"
1 43 ASN 9.199 0.335 11 0 "[ . 1 . 2]"
1 44 TRP 1.114 0.151 2 0 "[ . 1 . 2]"
1 45 TYR 7.341 0.309 14 0 "[ . 1 . 2]"
1 46 LEU 0.147 0.086 15 0 "[ . 1 . 2]"
1 47 LYS 8.661 0.335 11 0 "[ . 1 . 2]"
1 58 GLU 0.961 0.255 13 0 "[ . 1 . 2]"
1 59 LEU 0.489 0.176 2 0 "[ . 1 . 2]"
1 60 ILE 0.279 0.094 7 0 "[ . 1 . 2]"
1 61 ASN 1.478 0.237 13 0 "[ . 1 . 2]"
1 62 LYS 1.448 0.255 13 0 "[ . 1 . 2]"
1 63 LYS 2.517 0.236 2 0 "[ . 1 . 2]"
1 64 ARG 1.391 0.218 18 0 "[ . 1 . 2]"
1 65 ILE 1.529 0.237 13 0 "[ . 1 . 2]"
1 66 ILE 3.709 0.243 12 0 "[ . 1 . 2]"
1 67 GLU 2.630 0.236 2 0 "[ . 1 . 2]"
1 68 LYS 1.204 0.218 18 0 "[ . 1 . 2]"
1 69 VAL 0.051 0.014 7 0 "[ . 1 . 2]"
1 70 ILE 3.222 0.243 12 0 "[ . 1 . 2]"
1 71 HIS 0.603 0.221 14 0 "[ . 1 . 2]"
1 72 ARG 0.093 0.048 9 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 12 GLU O 1 16 ILE H 2.000 . 2.000 2.110 1.906 2.249 0.249 5 0 "[ . 1 . 2]" 2
2 1 12 GLU O 1 16 ILE N 3.000 2.700 3.000 3.065 2.887 3.211 0.211 5 0 "[ . 1 . 2]" 2
3 1 13 TYR O 1 17 SER H 2.000 . 2.000 1.869 1.760 2.113 0.113 10 0 "[ . 1 . 2]" 2
4 1 13 TYR O 1 17 SER N 3.000 2.700 3.000 2.822 2.695 3.041 0.041 10 0 "[ . 1 . 2]" 2
5 1 14 SER O 1 18 ASN H 2.000 . 2.000 1.894 1.760 2.096 0.096 14 0 "[ . 1 . 2]" 2
6 1 14 SER O 1 18 ASN N 3.000 2.700 3.000 2.774 2.689 2.939 0.011 15 0 "[ . 1 . 2]" 2
7 1 15 ARG O 1 19 LEU H 2.000 . 2.000 2.173 1.970 2.315 0.315 8 0 "[ . 1 . 2]" 2
8 1 15 ARG O 1 19 LEU N 3.000 2.700 3.000 3.077 2.857 3.239 0.239 8 0 "[ . 1 . 2]" 2
9 1 16 ILE O 1 20 ILE H 2.000 . 2.000 2.204 2.017 2.300 0.300 3 0 "[ . 1 . 2]" 2
10 1 16 ILE O 1 20 ILE N 3.000 2.700 3.000 3.108 2.916 3.206 0.206 3 0 "[ . 1 . 2]" 2
11 1 17 SER O 1 21 VAL H 2.000 . 2.000 2.072 1.839 2.220 0.220 2 0 "[ . 1 . 2]" 2
12 1 17 SER O 1 21 VAL N 3.000 2.700 3.000 3.024 2.805 3.179 0.179 5 0 "[ . 1 . 2]" 2
13 1 18 ASN O 1 22 LEU H 2.000 . 2.000 1.825 1.742 2.009 0.058 16 0 "[ . 1 . 2]" 2
14 1 18 ASN O 1 22 LEU N 3.000 2.700 3.000 2.794 2.717 2.963 . 0 0 "[ . 1 . 2]" 2
15 1 19 LEU O 1 23 HIS H 2.000 . 2.000 1.816 1.760 1.927 0.040 12 0 "[ . 1 . 2]" 2
16 1 19 LEU O 1 23 HIS N 3.000 2.700 3.000 2.759 2.677 2.882 0.023 19 0 "[ . 1 . 2]" 2
17 1 20 ILE O 1 24 LEU H 2.000 . 2.000 2.075 1.850 2.215 0.215 3 0 "[ . 1 . 2]" 2
18 1 20 ILE O 1 24 LEU N 3.000 2.700 3.000 3.033 2.823 3.170 0.170 3 0 "[ . 1 . 2]" 2
19 1 21 VAL O 1 25 ARG H 2.000 . 2.000 1.972 1.777 2.208 0.208 8 0 "[ . 1 . 2]" 2
20 1 21 VAL O 1 25 ARG N 3.000 2.700 3.000 2.922 2.729 3.167 0.167 19 0 "[ . 1 . 2]" 2
21 1 22 LEU O 1 26 LYS H 2.000 . 2.000 2.059 1.893 2.261 0.261 2 0 "[ . 1 . 2]" 2
22 1 22 LEU O 1 26 LYS N 3.000 2.700 3.000 2.970 2.815 3.198 0.198 2 0 "[ . 1 . 2]" 2
23 1 23 HIS O 1 27 VAL H 2.000 . 2.000 1.851 1.780 2.067 0.067 6 0 "[ . 1 . 2]" 2
24 1 23 HIS O 1 27 VAL N 3.000 2.700 3.000 2.805 2.718 3.028 0.028 6 0 "[ . 1 . 2]" 2
25 1 24 LEU O 1 28 GLU H 2.000 . 2.000 1.887 1.762 2.013 0.038 20 0 "[ . 1 . 2]" 2
26 1 24 LEU O 1 28 GLU N 3.000 2.700 3.000 2.857 2.736 2.991 . 0 0 "[ . 1 . 2]" 2
27 1 39 SER O 1 43 ASN H 2.000 . 2.000 1.970 1.833 2.201 0.201 14 0 "[ . 1 . 2]" 2
28 1 39 SER O 1 43 ASN N 3.000 2.700 3.000 2.830 2.687 3.037 0.037 19 0 "[ . 1 . 2]" 2
29 1 40 GLU O 1 44 TRP H 2.000 . 2.000 1.969 1.787 2.151 0.151 2 0 "[ . 1 . 2]" 2
30 1 40 GLU O 1 44 TRP N 3.000 2.700 3.000 2.943 2.769 3.126 0.126 2 0 "[ . 1 . 2]" 2
31 1 41 LEU O 1 45 TYR H 2.000 . 2.000 2.257 2.211 2.309 0.309 14 0 "[ . 1 . 2]" 2
32 1 41 LEU O 1 45 TYR N 3.000 2.700 3.000 3.110 3.032 3.192 0.192 14 0 "[ . 1 . 2]" 2
33 1 42 VAL O 1 46 LEU H 2.000 . 2.000 1.934 1.877 2.086 0.086 15 0 "[ . 1 . 2]" 2
34 1 42 VAL O 1 46 LEU N 3.000 2.700 3.000 2.895 2.831 3.047 0.047 15 0 "[ . 1 . 2]" 2
35 1 43 ASN O 1 47 LYS H 2.000 . 2.000 2.248 2.019 2.335 0.335 11 0 "[ . 1 . 2]" 2
36 1 43 ASN O 1 47 LYS N 3.000 2.700 3.000 3.184 2.982 3.231 0.231 13 0 "[ . 1 . 2]" 2
37 1 58 GLU O 1 62 LYS H 2.000 . 2.000 1.916 1.771 2.255 0.255 13 0 "[ . 1 . 2]" 2
38 1 58 GLU O 1 62 LYS N 3.000 2.700 3.000 2.859 2.724 3.203 0.203 13 0 "[ . 1 . 2]" 2
39 1 59 LEU O 1 63 LYS H 2.000 . 2.000 1.949 1.794 2.176 0.176 2 0 "[ . 1 . 2]" 2
40 1 59 LEU O 1 63 LYS N 3.000 2.700 3.000 2.889 2.747 3.127 0.127 2 0 "[ . 1 . 2]" 2
41 1 60 ILE O 1 64 ARG H 2.000 . 2.000 1.913 1.795 2.094 0.094 7 0 "[ . 1 . 2]" 2
42 1 60 ILE O 1 64 ARG N 3.000 2.700 3.000 2.830 2.706 3.012 0.012 15 0 "[ . 1 . 2]" 2
43 1 61 ASN O 1 65 ILE H 2.000 . 2.000 1.977 1.813 2.237 0.237 13 0 "[ . 1 . 2]" 2
44 1 61 ASN O 1 65 ILE N 3.000 2.700 3.000 2.912 2.770 3.159 0.159 13 0 "[ . 1 . 2]" 2
45 1 62 LYS O 1 66 ILE H 2.000 . 2.000 1.930 1.797 2.203 0.203 14 0 "[ . 1 . 2]" 2
46 1 62 LYS O 1 66 ILE N 3.000 2.700 3.000 2.898 2.758 3.152 0.152 14 0 "[ . 1 . 2]" 2
47 1 63 LYS O 1 67 GLU H 2.000 . 2.000 2.047 1.875 2.236 0.236 2 0 "[ . 1 . 2]" 2
48 1 63 LYS O 1 67 GLU N 3.000 2.700 3.000 2.981 2.826 3.203 0.203 2 0 "[ . 1 . 2]" 2
49 1 64 ARG O 1 68 LYS H 2.000 . 2.000 1.987 1.797 2.218 0.218 18 0 "[ . 1 . 2]" 2
50 1 64 ARG O 1 68 LYS N 3.000 2.700 3.000 2.902 2.739 3.079 0.079 13 0 "[ . 1 . 2]" 2
51 1 65 ILE O 1 69 VAL H 2.000 . 2.000 1.891 1.791 2.014 0.014 7 0 "[ . 1 . 2]" 2
52 1 65 ILE O 1 69 VAL N 3.000 2.700 3.000 2.824 2.721 2.955 . 0 0 "[ . 1 . 2]" 2
53 1 66 ILE O 1 70 ILE H 2.000 . 2.000 2.087 1.922 2.243 0.243 12 0 "[ . 1 . 2]" 2
54 1 66 ILE O 1 70 ILE N 3.000 2.700 3.000 3.032 2.866 3.200 0.200 14 0 "[ . 1 . 2]" 2
55 1 67 GLU O 1 71 HIS H 2.000 . 2.000 1.915 1.771 2.221 0.221 14 0 "[ . 1 . 2]" 2
56 1 67 GLU O 1 71 HIS N 3.000 2.700 3.000 2.855 2.715 3.113 0.113 14 0 "[ . 1 . 2]" 2
57 1 68 LYS O 1 72 ARG H 2.000 . 2.000 1.839 1.752 1.920 0.048 9 0 "[ . 1 . 2]" 2
58 1 68 LYS O 1 72 ARG N 3.000 2.700 3.000 2.775 2.696 2.874 0.004 9 0 "[ . 1 . 2]" 2
stop_
save_