NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558540 |
2m4m   |
19013 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m4m
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 1310
_Distance_constraint_stats_list.Viol_count 1632
_Distance_constraint_stats_list.Viol_total 4183.020
_Distance_constraint_stats_list.Viol_max 0.652
_Distance_constraint_stats_list.Viol_rms 0.0433
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.1282
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.034 0.034 3 0 "[ . 1 . 2]"
1 5 SER 1.329 0.336 11 0 "[ . 1 . 2]"
1 6 GLU 5.031 0.456 3 0 "[ . 1 . 2]"
1 7 SER 10.637 0.631 20 2 "[- . 1 . +]"
1 8 GLU 13.138 0.642 1 2 "[+ . 1 . *]"
1 9 THR 5.239 0.642 1 1 "[+ . 1 . 2]"
1 10 GLY 0.469 0.222 18 0 "[ . 1 . 2]"
1 11 ASN 0.769 0.285 13 0 "[ . 1 . 2]"
1 12 ALA 0.659 0.124 17 0 "[ . 1 . 2]"
1 13 VAL 0.210 0.188 9 0 "[ . 1 . 2]"
1 14 VAL 0.027 0.027 4 0 "[ . 1 . 2]"
1 15 VAL 0.088 0.039 7 0 "[ . 1 . 2]"
1 16 PHE 0.155 0.155 10 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 TYR 2.709 0.297 20 0 "[ . 1 . 2]"
1 19 ARG 3.077 0.278 12 0 "[ . 1 . 2]"
1 20 GLU 1.602 0.324 20 0 "[ . 1 . 2]"
1 21 ALA 2.270 0.185 5 0 "[ . 1 . 2]"
1 22 ILE 9.307 0.533 3 1 "[ + . 1 . 2]"
1 23 THR 2.596 0.376 8 0 "[ . 1 . 2]"
1 24 LYS 10.392 0.578 18 2 "[ . 1 . + -]"
1 25 GLN 0.179 0.179 16 0 "[ . 1 . 2]"
1 26 ILE 7.142 0.312 11 0 "[ . 1 . 2]"
1 27 LEU 4.050 0.484 10 0 "[ . 1 . 2]"
1 28 ALA 1.196 0.232 19 0 "[ . 1 . 2]"
1 29 TYR 0.251 0.077 16 0 "[ . 1 . 2]"
1 30 PHE 1.879 0.215 16 0 "[ . 1 . 2]"
1 31 ALA 2.906 0.284 1 0 "[ . 1 . 2]"
1 32 GLN 1.634 0.394 3 0 "[ . 1 . 2]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 2.585 0.486 2 0 "[ . 1 . 2]"
1 36 ILE 13.809 0.583 3 1 "[ + . 1 . 2]"
1 37 LEU 7.438 0.583 3 1 "[ + . 1 . 2]"
1 38 GLU 1.811 0.266 14 0 "[ . 1 . 2]"
1 39 ASP 2.545 0.448 14 0 "[ . 1 . 2]"
1 40 LEU 9.988 0.484 10 0 "[ . 1 . 2]"
1 41 GLU 4.667 0.444 13 0 "[ . 1 . 2]"
1 42 SER 1.501 0.327 10 0 "[ . 1 . 2]"
1 43 GLU 5.269 0.507 1 1 "[+ . 1 . 2]"
1 44 LEU 11.030 0.507 1 1 "[+ . 1 . 2]"
1 45 GLY 0.312 0.149 16 0 "[ . 1 . 2]"
1 46 ASP 0.666 0.249 1 0 "[ . 1 . 2]"
1 47 THR 5.356 0.548 4 1 "[ +. 1 . 2]"
1 48 GLU 6.496 0.548 4 1 "[ +. 1 . 2]"
1 49 THR 1.181 0.249 1 0 "[ . 1 . 2]"
1 50 MET 1.785 0.343 1 0 "[ . 1 . 2]"
1 51 ARG 6.081 0.435 11 0 "[ . 1 . 2]"
1 52 THR 5.327 0.488 3 0 "[ . 1 . 2]"
1 53 PRO 4.615 0.488 3 0 "[ . 1 . 2]"
1 54 GLY 3.006 0.476 10 0 "[ . 1 . 2]"
1 55 TYR 5.394 0.476 10 0 "[ . 1 . 2]"
1 56 PHE 6.198 0.452 6 0 "[ . 1 . 2]"
1 57 PHE 5.766 0.652 11 1 "[ . 1+ . 2]"
1 58 GLN 3.472 0.652 11 1 "[ . 1+ . 2]"
1 59 GLN 4.876 0.481 19 0 "[ . 1 . 2]"
1 60 ALA 4.236 0.481 19 0 "[ . 1 . 2]"
1 61 PRO 0.270 0.126 4 0 "[ . 1 . 2]"
1 62 ASN 0.501 0.207 8 0 "[ . 1 . 2]"
1 63 ARG 10.394 0.646 9 5 "[ .- +1** .* 2]"
1 64 ARG 11.850 0.530 12 3 "[ .- 1 + .* 2]"
1 65 ARG 7.041 0.646 9 2 "[ . +1- . 2]"
1 66 ILE 12.467 0.538 16 1 "[ . 1 .+ 2]"
1 67 SER 6.834 0.538 16 1 "[ . 1 .+ 2]"
1 68 ARG 2.636 0.375 13 0 "[ . 1 . 2]"
1 69 GLU 0.946 0.106 12 0 "[ . 1 . 2]"
1 70 HIS 0.340 0.171 2 0 "[ . 1 . 2]"
1 71 GLY 0.008 0.008 18 0 "[ . 1 . 2]"
1 72 ARG 6.999 0.455 4 0 "[ . 1 . 2]"
1 73 THR 6.937 0.455 4 0 "[ . 1 . 2]"
1 74 TRP 0.932 0.106 12 0 "[ . 1 . 2]"
1 75 THR 5.625 0.302 4 0 "[ . 1 . 2]"
1 76 LYS 3.037 0.425 1 0 "[ . 1 . 2]"
1 77 LEU 0.216 0.203 11 0 "[ . 1 . 2]"
1 78 THR 2.547 0.262 10 0 "[ . 1 . 2]"
1 79 TYR 2.821 0.633 9 1 "[ . +1 . 2]"
1 80 ALA 0.190 0.103 1 0 "[ . 1 . 2]"
1 81 ASN 2.059 0.200 4 0 "[ . 1 . 2]"
1 82 HIS 3.242 0.200 4 0 "[ . 1 . 2]"
1 83 SER 0.837 0.186 12 0 "[ . 1 . 2]"
1 84 SER 0.004 0.004 5 0 "[ . 1 . 2]"
1 85 TYR 0.049 0.027 9 0 "[ . 1 . 2]"
1 86 LEU 4.138 0.375 3 0 "[ . 1 . 2]"
1 87 ARG 0.996 0.115 8 0 "[ . 1 . 2]"
1 88 ALA 1.230 0.633 9 1 "[ . +1 . 2]"
1 89 LEU 1.188 0.277 8 0 "[ . 1 . 2]"
1 90 ARG 1.683 0.215 16 0 "[ . 1 . 2]"
1 91 GLU 2.634 0.295 19 0 "[ . 1 . 2]"
1 92 HIS 0.626 0.255 12 0 "[ . 1 . 2]"
1 93 GLY 0.102 0.089 13 0 "[ . 1 . 2]"
1 94 THR 1.590 0.441 17 0 "[ . 1 . 2]"
1 95 ILE 2.517 0.489 3 0 "[ . 1 . 2]"
1 96 TYR 0.612 0.131 8 0 "[ . 1 . 2]"
1 97 CYS 0.193 0.067 3 0 "[ . 1 . 2]"
1 98 GLY 0.096 0.054 17 0 "[ . 1 . 2]"
1 99 ALA 2.501 0.489 3 0 "[ . 1 . 2]"
1 100 ALA 2.069 0.295 19 0 "[ . 1 . 2]"
1 101 ILE 4.153 0.441 17 0 "[ . 1 . 2]"
1 102 GLY 0.360 0.142 13 0 "[ . 1 . 2]"
1 103 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 VAL 0.184 0.104 13 0 "[ . 1 . 2]"
1 105 PRO 0.109 0.053 9 0 "[ . 1 . 2]"
1 106 TYR 1.251 0.137 2 0 "[ . 1 . 2]"
1 107 LYS 1.098 0.233 3 0 "[ . 1 . 2]"
1 108 HIS 0.806 0.133 16 0 "[ . 1 . 2]"
1 109 GLU 1.413 0.181 17 0 "[ . 1 . 2]"
1 110 LEU 0.408 0.160 3 0 "[ . 1 . 2]"
1 111 ILE 1.413 0.240 6 0 "[ . 1 . 2]"
1 112 SER 2.173 0.212 16 0 "[ . 1 . 2]"
1 113 GLU 2.356 0.250 10 0 "[ . 1 . 2]"
1 114 LEU 7.327 0.361 16 0 "[ . 1 . 2]"
1 115 SER 2.235 0.310 10 0 "[ . 1 . 2]"
1 116 ARG 0.906 0.322 13 0 "[ . 1 . 2]"
1 117 GLU 3.346 0.459 5 0 "[ . 1 . 2]"
1 118 GLY 2.600 0.459 5 0 "[ . 1 . 2]"
1 119 HIS 0.973 0.279 18 0 "[ . 1 . 2]"
1 120 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LEU HA 1 3 LEU MD2 4.000 . 5.000 3.004 1.972 3.895 . 0 0 "[ . 1 . 2]" 1
2 1 6 GLU H 1 6 GLU HB2 3.500 . 4.000 2.812 2.351 3.676 . 0 0 "[ . 1 . 2]" 1
3 1 6 GLU H 1 6 GLU HB3 3.000 . 3.500 3.304 2.499 3.956 0.456 3 0 "[ . 1 . 2]" 1
4 1 7 SER H 1 7 SER HB2 3.000 . 3.500 3.182 2.499 3.686 0.186 1 0 "[ . 1 . 2]" 1
5 1 8 GLU HA 1 8 GLU HG2 3.000 . 3.500 3.006 2.443 3.747 0.247 7 0 "[ . 1 . 2]" 1
6 1 8 GLU H 1 8 GLU HB2 3.500 . 4.000 2.869 2.399 3.728 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLU H 1 8 GLU HB3 3.500 . 4.000 3.410 2.330 4.054 0.054 16 0 "[ . 1 . 2]" 1
8 1 9 THR HA 1 9 THR MG 3.000 . 3.500 2.355 2.189 3.222 . 0 0 "[ . 1 . 2]" 1
9 1 9 THR H 1 9 THR MG 4.000 . 5.000 3.436 2.133 4.066 . 0 0 "[ . 1 . 2]" 1
10 1 11 ASN HB2 1 11 ASN HD22 3.500 . 4.000 3.695 3.468 4.061 0.061 8 0 "[ . 1 . 2]" 1
11 1 11 ASN HB3 1 11 ASN HD22 4.000 . 5.000 3.715 3.462 4.053 . 0 0 "[ . 1 . 2]" 1
12 1 11 ASN H 1 11 ASN HB2 3.500 . 4.000 2.939 2.377 3.731 . 0 0 "[ . 1 . 2]" 1
13 1 11 ASN H 1 11 ASN HB3 4.000 . 5.000 3.278 2.558 3.774 . 0 0 "[ . 1 . 2]" 1
14 1 13 VAL H 1 13 VAL QG 3.500 . 4.000 2.096 1.993 2.187 . 0 0 "[ . 1 . 2]" 1
15 1 14 VAL H 1 14 VAL HB 3.500 . 4.000 2.606 2.535 2.673 . 0 0 "[ . 1 . 2]" 1
16 1 15 VAL H 1 15 VAL HB 3.500 . 4.000 2.657 2.541 2.809 . 0 0 "[ . 1 . 2]" 1
17 1 16 PHE H 1 16 PHE QD 4.000 . 5.000 3.002 2.864 3.196 . 0 0 "[ . 1 . 2]" 1
18 1 18 TYR HA 1 18 TYR QD 4.000 . 5.000 3.741 3.707 3.766 . 0 0 "[ . 1 . 2]" 1
19 1 18 TYR H 1 18 TYR HB2 4.000 . 5.000 3.767 3.633 3.897 . 0 0 "[ . 1 . 2]" 1
20 1 18 TYR H 1 18 TYR HB3 4.000 . 5.000 3.195 2.879 3.497 . 0 0 "[ . 1 . 2]" 1
21 1 18 TYR H 1 18 TYR QD 3.000 . 3.500 2.792 2.222 3.194 . 0 0 "[ . 1 . 2]" 1
22 1 18 TYR H 1 18 TYR QE 4.000 . 5.000 4.136 3.936 4.366 . 0 0 "[ . 1 . 2]" 1
23 1 19 ARG HA 1 19 ARG HG2 4.000 . 5.000 3.477 3.037 3.852 . 0 0 "[ . 1 . 2]" 1
24 1 19 ARG H 1 19 ARG HB2 3.500 . 4.000 3.330 2.659 3.891 . 0 0 "[ . 1 . 2]" 1
25 1 19 ARG H 1 19 ARG HB3 4.000 . 5.000 2.837 2.331 3.300 . 0 0 "[ . 1 . 2]" 1
26 1 19 ARG H 1 19 ARG HG2 4.000 . 5.000 3.528 2.102 4.678 . 0 0 "[ . 1 . 2]" 1
27 1 20 GLU HA 1 20 GLU HG2 3.500 . 4.000 3.172 2.388 3.838 . 0 0 "[ . 1 . 2]" 1
28 1 20 GLU HA 1 20 GLU HG3 3.500 . 4.000 2.805 2.475 4.221 0.221 17 0 "[ . 1 . 2]" 1
29 1 20 GLU H 1 20 GLU HG2 5.000 . 6.000 4.453 3.518 5.233 . 0 0 "[ . 1 . 2]" 1
30 1 20 GLU H 1 20 GLU HG3 5.000 . 6.000 4.408 2.957 4.908 . 0 0 "[ . 1 . 2]" 1
31 1 21 ALA H 1 21 ALA MB 3.000 . 3.500 2.540 2.224 2.945 . 0 0 "[ . 1 . 2]" 1
32 1 22 ILE HA 1 22 ILE MD 4.500 . 5.500 3.884 3.636 4.179 . 0 0 "[ . 1 . 2]" 1
33 1 22 ILE HA 1 22 ILE MG 3.000 . 3.500 2.333 2.257 2.426 . 0 0 "[ . 1 . 2]" 1
34 1 22 ILE HB 1 22 ILE MD 3.500 . 4.000 2.287 2.166 2.410 . 0 0 "[ . 1 . 2]" 1
35 1 22 ILE H 1 22 ILE MD 4.500 . 5.500 3.540 2.808 3.981 . 0 0 "[ . 1 . 2]" 1
36 1 22 ILE H 1 22 ILE MG 4.000 . 5.000 2.589 2.295 3.122 . 0 0 "[ . 1 . 2]" 1
37 1 23 THR HA 1 23 THR MG 3.500 . 4.000 2.298 2.191 2.386 . 0 0 "[ . 1 . 2]" 1
38 1 23 THR H 1 23 THR HB 3.500 . 4.000 2.712 2.639 2.943 . 0 0 "[ . 1 . 2]" 1
39 1 23 THR H 1 23 THR MG 4.500 . 5.500 3.729 3.637 3.787 . 0 0 "[ . 1 . 2]" 1
40 1 24 LYS HA 1 24 LYS HD2 5.000 . 6.000 2.775 2.009 4.057 . 0 0 "[ . 1 . 2]" 1
41 1 24 LYS HA 1 24 LYS HG2 4.000 . 5.000 3.427 3.093 3.754 . 0 0 "[ . 1 . 2]" 1
42 1 24 LYS HA 1 24 LYS HG3 4.000 . 5.000 3.430 2.404 4.230 . 0 0 "[ . 1 . 2]" 1
43 1 24 LYS H 1 24 LYS HB2 3.000 . 3.500 2.588 2.047 3.467 . 0 0 "[ . 1 . 2]" 1
44 1 24 LYS H 1 24 LYS HD2 3.000 . 3.500 3.499 2.175 4.078 0.578 18 2 "[ . 1 . + -]" 1
45 1 24 LYS H 1 24 LYS HG2 3.500 . 4.000 2.544 1.795 4.126 0.126 10 0 "[ . 1 . 2]" 1
46 1 24 LYS H 1 24 LYS HG3 4.000 . 5.000 3.579 3.373 4.359 . 0 0 "[ . 1 . 2]" 1
47 1 25 GLN HA 1 25 GLN QG 3.500 . 4.000 2.420 2.300 2.990 . 0 0 "[ . 1 . 2]" 1
48 1 25 GLN H 1 25 GLN QG 4.000 . 4.000 2.599 2.136 3.865 . 0 0 "[ . 1 . 2]" 1
49 1 26 ILE HA 1 26 ILE MD 4.000 . 5.000 3.507 1.933 3.765 . 0 0 "[ . 1 . 2]" 1
50 1 26 ILE H 1 26 ILE HB 3.000 . 3.500 2.371 2.262 2.516 . 0 0 "[ . 1 . 2]" 1
51 1 26 ILE H 1 26 ILE MD 4.500 . 5.500 4.182 3.429 4.440 . 0 0 "[ . 1 . 2]" 1
52 1 26 ILE H 1 26 ILE HG12 4.000 . 5.000 4.235 2.304 4.604 . 0 0 "[ . 1 . 2]" 1
53 1 26 ILE H 1 26 ILE HG13 3.500 . 4.000 3.950 2.630 4.312 0.312 11 0 "[ . 1 . 2]" 1
54 1 26 ILE H 1 26 ILE MG 4.500 . 5.500 2.736 2.223 3.788 . 0 0 "[ . 1 . 2]" 1
55 1 27 LEU HA 1 27 LEU MD2 4.000 . 5.000 3.523 2.038 3.968 . 0 0 "[ . 1 . 2]" 1
56 1 27 LEU H 1 27 LEU HB2 3.500 . 4.000 2.473 2.256 2.593 . 0 0 "[ . 1 . 2]" 1
57 1 27 LEU H 1 27 LEU HB3 3.000 . 3.500 2.523 2.337 2.737 . 0 0 "[ . 1 . 2]" 1
58 1 27 LEU H 1 27 LEU MD1 4.500 . 5.500 4.084 3.822 4.264 . 0 0 "[ . 1 . 2]" 1
59 1 27 LEU H 1 27 LEU MD2 4.500 . 5.500 4.197 4.079 4.265 . 0 0 "[ . 1 . 2]" 1
60 1 28 ALA H 1 28 ALA MB 3.000 . 3.500 2.230 2.216 2.239 . 0 0 "[ . 1 . 2]" 1
61 1 29 TYR HA 1 29 TYR QD 3.500 . 4.000 2.858 2.730 3.058 . 0 0 "[ . 1 . 2]" 1
62 1 29 TYR H 1 29 TYR HB2 2.500 . 3.000 2.765 2.490 2.920 . 0 0 "[ . 1 . 2]" 1
63 1 30 PHE H 1 30 PHE QD 3.500 . 4.000 2.639 2.228 2.940 . 0 0 "[ . 1 . 2]" 1
64 1 31 ALA H 1 31 ALA MB 3.000 . 3.500 2.245 2.185 2.280 . 0 0 "[ . 1 . 2]" 1
65 1 32 GLN HA 1 32 GLN HE21 5.000 . 6.000 4.034 3.829 4.297 . 0 0 "[ . 1 . 2]" 1
66 1 32 GLN HA 1 32 GLN HE22 4.000 . 5.000 4.459 3.980 5.394 0.394 3 0 "[ . 1 . 2]" 1
67 1 32 GLN H 1 32 GLN QB 3.500 . 4.000 2.363 2.191 2.528 . 0 0 "[ . 1 . 2]" 1
68 1 33 PHE HA 1 33 PHE QD 3.500 . 4.000 2.934 2.729 3.725 . 0 0 "[ . 1 . 2]" 1
69 1 33 PHE H 1 33 PHE HB2 3.500 . 4.000 2.659 2.376 3.887 . 0 0 "[ . 1 . 2]" 1
70 1 33 PHE H 1 33 PHE HB3 4.000 . 5.000 3.672 3.528 3.866 . 0 0 "[ . 1 . 2]" 1
71 1 33 PHE H 1 33 PHE QD 3.500 . 4.000 2.730 2.007 3.379 . 0 0 "[ . 1 . 2]" 1
72 1 35 GLU H 1 35 GLU HB2 3.500 . 4.000 2.830 2.308 3.589 . 0 0 "[ . 1 . 2]" 1
73 1 35 GLU H 1 35 GLU HB3 3.500 . 4.000 3.204 2.444 3.711 . 0 0 "[ . 1 . 2]" 1
74 1 35 GLU H 1 35 GLU HG2 4.000 . 5.000 3.628 1.797 4.919 0.003 12 0 "[ . 1 . 2]" 1
75 1 36 ILE HA 1 36 ILE HG13 4.000 . 5.000 3.361 2.405 4.027 . 0 0 "[ . 1 . 2]" 1
76 1 36 ILE HB 1 36 ILE MD 3.500 . 4.000 2.763 2.229 3.247 . 0 0 "[ . 1 . 2]" 1
77 1 37 LEU HA 1 37 LEU MD1 3.000 . 3.500 3.365 1.833 3.856 0.356 7 0 "[ . 1 . 2]" 1
78 1 37 LEU HA 1 37 LEU MD2 4.000 . 5.000 3.221 2.061 4.084 . 0 0 "[ . 1 . 2]" 1
79 1 37 LEU H 1 37 LEU MD2 4.500 . 5.500 4.123 2.584 4.666 . 0 0 "[ . 1 . 2]" 1
80 1 38 GLU H 1 38 GLU HB2 4.000 . 5.000 2.636 2.269 3.612 . 0 0 "[ . 1 . 2]" 1
81 1 39 ASP H 1 39 ASP HB3 3.000 . 3.500 3.012 2.321 3.948 0.448 14 0 "[ . 1 . 2]" 1
82 1 40 LEU HA 1 40 LEU MD1 4.000 . 5.000 3.433 1.965 4.108 . 0 0 "[ . 1 . 2]" 1
83 1 40 LEU H 1 40 LEU MD1 4.500 . 5.500 4.048 2.057 4.936 . 0 0 "[ . 1 . 2]" 1
84 1 40 LEU H 1 40 LEU MD2 5.500 . 6.500 3.531 1.715 4.665 0.085 7 0 "[ . 1 . 2]" 1
85 1 40 LEU H 1 40 LEU HG 4.000 . 5.000 3.489 2.068 5.150 0.150 16 0 "[ . 1 . 2]" 1
86 1 43 GLU H 1 43 GLU HB2 3.500 . 4.000 3.080 2.340 4.005 0.005 2 0 "[ . 1 . 2]" 1
87 1 44 LEU HA 1 44 LEU MD1 4.500 . 5.500 3.746 3.006 4.074 . 0 0 "[ . 1 . 2]" 1
88 1 44 LEU HA 1 44 LEU MD2 3.500 . 4.000 2.679 2.021 4.076 0.076 8 0 "[ . 1 . 2]" 1
89 1 44 LEU H 1 44 LEU HB2 3.500 . 4.000 2.925 2.474 4.026 0.026 14 0 "[ . 1 . 2]" 1
90 1 44 LEU H 1 44 LEU HB3 3.000 . 3.500 3.668 3.132 3.973 0.473 2 0 "[ . 1 . 2]" 1
91 1 44 LEU H 1 44 LEU MD1 5.500 . 6.500 3.599 1.825 4.681 . 0 0 "[ . 1 . 2]" 1
92 1 44 LEU H 1 44 LEU MD2 4.500 . 5.500 3.565 2.250 4.486 . 0 0 "[ . 1 . 2]" 1
93 1 47 THR HA 1 47 THR MG 3.500 . 4.000 2.710 2.175 3.248 . 0 0 "[ . 1 . 2]" 1
94 1 47 THR H 1 47 THR MG 4.000 . 5.000 3.126 1.923 4.048 . 0 0 "[ . 1 . 2]" 1
95 1 48 GLU H 1 48 GLU HB2 3.500 . 4.000 2.690 2.116 3.619 . 0 0 "[ . 1 . 2]" 1
96 1 48 GLU H 1 48 GLU HB3 3.000 . 3.500 2.866 2.267 3.987 0.487 1 0 "[ . 1 . 2]" 1
97 1 49 THR HA 1 49 THR MG 3.500 . 4.000 2.469 2.213 3.208 . 0 0 "[ . 1 . 2]" 1
98 1 49 THR H 1 49 THR MG 4.000 . 5.000 2.428 1.878 3.720 . 0 0 "[ . 1 . 2]" 1
99 1 50 MET H 1 50 MET HB2 3.000 . 3.500 2.851 2.360 3.843 0.343 1 0 "[ . 1 . 2]" 1
100 1 50 MET H 1 50 MET HB3 3.000 . 3.500 2.865 2.436 3.649 0.149 17 0 "[ . 1 . 2]" 1
101 1 50 MET H 1 50 MET HG2 4.000 . 5.000 4.178 2.854 4.938 . 0 0 "[ . 1 . 2]" 1
102 1 50 MET H 1 50 MET HG3 4.000 . 5.000 4.270 1.859 4.715 . 0 0 "[ . 1 . 2]" 1
103 1 51 ARG HA 1 51 ARG HD2 4.000 . 5.000 4.169 2.171 5.248 0.248 16 0 "[ . 1 . 2]" 1
104 1 51 ARG HA 1 51 ARG HD3 5.000 . 6.000 4.036 2.195 5.499 . 0 0 "[ . 1 . 2]" 1
105 1 51 ARG HA 1 51 ARG HG3 3.500 . 4.000 3.286 2.505 3.874 . 0 0 "[ . 1 . 2]" 1
106 1 51 ARG HB2 1 51 ARG HD3 4.000 . 5.000 3.111 2.351 4.241 . 0 0 "[ . 1 . 2]" 1
107 1 51 ARG HB3 1 51 ARG HD3 3.500 . 4.000 3.041 2.331 3.923 . 0 0 "[ . 1 . 2]" 1
108 1 51 ARG HB3 1 51 ARG HE 4.000 . 5.000 3.862 2.180 4.807 . 0 0 "[ . 1 . 2]" 1
109 1 51 ARG HE 1 51 ARG HG2 4.000 . 5.000 2.802 2.271 3.951 . 0 0 "[ . 1 . 2]" 1
110 1 51 ARG H 1 51 ARG HB2 4.000 . 5.000 2.790 2.199 3.876 . 0 0 "[ . 1 . 2]" 1
111 1 51 ARG H 1 51 ARG HB3 3.500 . 4.000 3.518 2.680 3.923 . 0 0 "[ . 1 . 2]" 1
112 1 51 ARG H 1 51 ARG HG2 4.000 . 5.000 3.566 1.925 4.582 . 0 0 "[ . 1 . 2]" 1
113 1 51 ARG H 1 51 ARG HG3 5.000 . 6.000 3.268 1.797 4.662 0.003 15 0 "[ . 1 . 2]" 1
114 1 52 THR HA 1 52 THR MG 3.000 . 3.500 2.340 2.165 3.213 . 0 0 "[ . 1 . 2]" 1
115 1 52 THR H 1 52 THR HB 3.500 . 4.000 3.736 2.721 4.090 0.090 12 0 "[ . 1 . 2]" 1
116 1 52 THR H 1 52 THR MG 4.000 . 5.000 3.224 2.629 4.016 . 0 0 "[ . 1 . 2]" 1
117 1 53 PRO HA 1 53 PRO HG3 4.000 . 5.000 3.646 3.047 4.065 . 0 0 "[ . 1 . 2]" 1
118 1 53 PRO HB2 1 53 PRO HD2 3.500 . 4.000 3.589 2.875 4.062 0.062 3 0 "[ . 1 . 2]" 1
119 1 53 PRO HB3 1 53 PRO HD2 4.000 . 5.000 3.882 3.842 4.013 . 0 0 "[ . 1 . 2]" 1
120 1 55 TYR HA 1 55 TYR QD 3.000 . 3.500 3.067 2.644 3.725 0.225 18 0 "[ . 1 . 2]" 1
121 1 55 TYR HB3 1 55 TYR HE1 5.000 . 6.000 5.145 4.676 5.472 . 0 0 "[ . 1 . 2]" 1
122 1 55 TYR H 1 55 TYR HB2 3.500 . 4.000 2.980 2.344 3.947 . 0 0 "[ . 1 . 2]" 1
123 1 55 TYR H 1 55 TYR QD 3.500 . 4.000 3.211 2.440 4.041 0.041 2 0 "[ . 1 . 2]" 1
124 1 56 PHE HA 1 56 PHE QD 3.500 . 4.000 2.817 2.670 3.000 . 0 0 "[ . 1 . 2]" 1
125 1 56 PHE HB2 1 56 PHE HD1 3.500 . 4.000 3.261 2.420 3.705 . 0 0 "[ . 1 . 2]" 1
126 1 56 PHE HB3 1 56 PHE HD2 3.500 . 4.000 3.176 2.304 3.646 . 0 0 "[ . 1 . 2]" 1
127 1 56 PHE H 1 56 PHE HB3 3.500 . 4.000 3.578 2.559 4.047 0.047 20 0 "[ . 1 . 2]" 1
128 1 56 PHE H 1 56 PHE HD1 4.000 . 5.000 4.307 2.293 5.156 0.156 19 0 "[ . 1 . 2]" 1
129 1 57 PHE HA 1 57 PHE QD 3.500 . 4.000 3.687 3.527 3.736 . 0 0 "[ . 1 . 2]" 1
130 1 57 PHE HB3 1 57 PHE HD1 3.500 . 4.000 2.470 2.428 2.535 . 0 0 "[ . 1 . 2]" 1
131 1 57 PHE HB3 1 57 PHE HE1 4.000 . 5.000 4.628 4.593 4.687 . 0 0 "[ . 1 . 2]" 1
132 1 57 PHE HB2 1 57 PHE HD2 3.500 . 4.000 2.287 2.238 2.311 . 0 0 "[ . 1 . 2]" 1
133 1 57 PHE HB2 1 57 PHE HE2 4.000 . 5.000 4.533 4.491 4.562 . 0 0 "[ . 1 . 2]" 1
134 1 57 PHE H 1 57 PHE HD1 4.000 . 5.000 2.176 1.760 3.310 0.040 20 0 "[ . 1 . 2]" 1
135 1 58 GLN HA 1 58 GLN HG3 4.000 . 5.000 3.041 2.432 4.274 . 0 0 "[ . 1 . 2]" 1
136 1 58 GLN HE22 1 58 GLN HG2 3.500 . 4.000 3.669 3.461 4.043 0.043 20 0 "[ . 1 . 2]" 1
137 1 58 GLN HE22 1 58 GLN HG3 3.500 . 4.000 3.684 3.465 4.058 0.058 13 0 "[ . 1 . 2]" 1
138 1 58 GLN H 1 58 GLN HB2 4.000 . 5.000 3.081 2.433 3.890 . 0 0 "[ . 1 . 2]" 1
139 1 58 GLN H 1 58 GLN HB3 3.500 . 4.000 3.382 2.423 4.138 0.138 17 0 "[ . 1 . 2]" 1
140 1 58 GLN H 1 58 GLN HG2 5.000 . 6.000 4.139 2.674 5.375 . 0 0 "[ . 1 . 2]" 1
141 1 58 GLN H 1 58 GLN HG3 4.000 . 5.000 3.983 2.243 4.898 . 0 0 "[ . 1 . 2]" 1
142 1 59 GLN H 1 59 GLN HB2 3.500 . 4.000 2.778 2.268 3.960 . 0 0 "[ . 1 . 2]" 1
143 1 59 GLN H 1 59 GLN HB3 3.500 . 4.000 3.049 2.404 3.969 . 0 0 "[ . 1 . 2]" 1
144 1 60 ALA H 1 60 ALA MB 3.000 . 3.500 2.592 2.208 2.971 . 0 0 "[ . 1 . 2]" 1
145 1 61 PRO HB2 1 61 PRO HD2 4.000 . 5.000 3.602 2.833 4.067 . 0 0 "[ . 1 . 2]" 1
146 1 61 PRO HB2 1 61 PRO HD3 4.000 . 5.000 3.888 3.843 3.938 . 0 0 "[ . 1 . 2]" 1
147 1 61 PRO HB3 1 61 PRO HD3 4.000 . 5.000 3.400 2.889 4.088 . 0 0 "[ . 1 . 2]" 1
148 1 63 ARG HB2 1 63 ARG HE 5.000 . 6.000 4.139 1.807 5.209 . 0 0 "[ . 1 . 2]" 1
149 1 63 ARG HB3 1 63 ARG HE 5.000 . 6.000 4.215 3.139 4.638 . 0 0 "[ . 1 . 2]" 1
150 1 63 ARG H 1 63 ARG HB2 3.500 . 4.000 3.041 2.482 4.030 0.030 7 0 "[ . 1 . 2]" 1
151 1 63 ARG H 1 63 ARG HB3 3.500 . 4.000 3.413 2.510 3.815 . 0 0 "[ . 1 . 2]" 1
152 1 64 ARG HA 1 64 ARG HG2 3.000 . 3.500 3.168 2.550 3.675 0.175 5 0 "[ . 1 . 2]" 1
153 1 64 ARG HA 1 64 ARG HG3 4.000 . 5.000 3.480 2.586 4.266 . 0 0 "[ . 1 . 2]" 1
154 1 64 ARG HE 1 64 ARG HG2 3.500 . 4.000 2.932 2.313 3.759 . 0 0 "[ . 1 . 2]" 1
155 1 64 ARG H 1 64 ARG HD3 5.000 . 6.000 3.955 1.648 4.992 0.152 2 0 "[ . 1 . 2]" 1
156 1 64 ARG H 1 64 ARG HG2 3.000 . 3.500 2.911 1.679 3.923 0.423 7 0 "[ . 1 . 2]" 1
157 1 64 ARG H 1 64 ARG HG3 3.500 . 4.000 3.112 1.693 4.280 0.280 6 0 "[ . 1 . 2]" 1
158 1 65 ARG HA 1 65 ARG HG2 4.000 . 5.000 3.067 2.429 4.246 . 0 0 "[ . 1 . 2]" 1
159 1 65 ARG HA 1 65 ARG HG3 3.500 . 4.000 3.125 2.291 3.769 . 0 0 "[ . 1 . 2]" 1
160 1 65 ARG H 1 65 ARG HB2 3.500 . 4.000 2.881 2.342 4.010 0.010 7 0 "[ . 1 . 2]" 1
161 1 65 ARG H 1 65 ARG HB3 3.000 . 3.500 3.522 2.753 3.943 0.443 8 0 "[ . 1 . 2]" 1
162 1 65 ARG H 1 65 ARG HG3 3.000 . 3.500 2.713 1.880 3.884 0.384 2 0 "[ . 1 . 2]" 1
163 1 66 ILE HA 1 66 ILE MG 3.500 . 4.000 3.043 2.284 3.240 . 0 0 "[ . 1 . 2]" 1
164 1 66 ILE HB 1 66 ILE MD 3.500 . 4.000 2.403 2.265 2.542 . 0 0 "[ . 1 . 2]" 1
165 1 66 ILE H 1 66 ILE MD 4.500 . 5.500 4.399 3.605 4.920 . 0 0 "[ . 1 . 2]" 1
166 1 66 ILE H 1 66 ILE HG13 4.000 . 5.000 4.279 3.048 4.709 . 0 0 "[ . 1 . 2]" 1
167 1 66 ILE H 1 66 ILE MG 3.500 . 4.000 2.112 1.762 3.375 0.038 12 0 "[ . 1 . 2]" 1
168 1 67 SER H 1 67 SER HB3 3.000 . 3.500 3.262 2.552 3.846 0.346 13 0 "[ . 1 . 2]" 1
169 1 68 ARG HA 1 68 ARG HG2 3.500 . 4.000 3.290 2.633 3.757 . 0 0 "[ . 1 . 2]" 1
170 1 68 ARG H 1 68 ARG HB2 3.500 . 4.000 2.649 2.191 3.085 . 0 0 "[ . 1 . 2]" 1
171 1 68 ARG H 1 68 ARG HB3 3.500 . 4.000 3.253 2.362 3.812 . 0 0 "[ . 1 . 2]" 1
172 1 68 ARG H 1 68 ARG HG3 5.000 . 6.000 4.233 2.856 4.727 . 0 0 "[ . 1 . 2]" 1
173 1 69 GLU HA 1 69 GLU HG2 3.500 . 4.000 3.491 2.331 3.816 . 0 0 "[ . 1 . 2]" 1
174 1 69 GLU HA 1 69 GLU HG3 4.000 . 5.000 3.497 2.525 4.264 . 0 0 "[ . 1 . 2]" 1
175 1 69 GLU H 1 69 GLU HB2 4.000 . 5.000 3.142 2.254 3.647 . 0 0 "[ . 1 . 2]" 1
176 1 70 HIS H 1 70 HIS HD2 4.000 . 5.000 4.351 2.699 5.171 0.171 2 0 "[ . 1 . 2]" 1
177 1 72 ARG HA 1 72 ARG HG2 3.500 . 4.000 2.897 2.501 3.814 . 0 0 "[ . 1 . 2]" 1
178 1 72 ARG HA 1 72 ARG HG3 4.000 . 5.000 3.167 2.399 3.827 . 0 0 "[ . 1 . 2]" 1
179 1 72 ARG HE 1 72 ARG HG3 3.500 . 4.000 2.898 2.352 3.809 . 0 0 "[ . 1 . 2]" 1
180 1 72 ARG H 1 72 ARG HB2 3.500 . 4.000 2.815 2.349 4.086 0.086 4 0 "[ . 1 . 2]" 1
181 1 72 ARG H 1 72 ARG HB3 3.500 . 4.000 3.468 2.574 4.022 0.022 18 0 "[ . 1 . 2]" 1
182 1 72 ARG H 1 72 ARG HG2 5.000 . 6.000 3.611 2.131 4.717 . 0 0 "[ . 1 . 2]" 1
183 1 73 THR HA 1 73 THR MG 3.000 . 3.500 2.278 2.235 2.402 . 0 0 "[ . 1 . 2]" 1
184 1 73 THR H 1 73 THR MG 4.000 . 5.000 2.877 2.272 3.158 . 0 0 "[ . 1 . 2]" 1
185 1 74 TRP H 1 74 TRP HB2 4.000 . 5.000 3.846 3.756 3.964 . 0 0 "[ . 1 . 2]" 1
186 1 74 TRP H 1 74 TRP HD1 4.000 . 5.000 3.051 2.693 3.291 . 0 0 "[ . 1 . 2]" 1
187 1 74 TRP H 1 74 TRP HE1 5.000 . 6.000 4.559 4.371 4.907 . 0 0 "[ . 1 . 2]" 1
188 1 75 THR H 1 75 THR MG 4.000 . 5.000 3.419 2.470 3.922 . 0 0 "[ . 1 . 2]" 1
189 1 76 LYS HB3 1 76 LYS HE2 3.500 . 4.000 3.162 1.983 4.425 0.425 1 0 "[ . 1 . 2]" 1
190 1 76 LYS H 1 76 LYS HB2 4.000 . 5.000 2.887 2.653 3.719 . 0 0 "[ . 1 . 2]" 1
191 1 76 LYS H 1 76 LYS HB3 4.000 . 5.000 2.520 2.354 3.061 . 0 0 "[ . 1 . 2]" 1
192 1 78 THR HA 1 78 THR MG 3.500 . 4.000 2.378 2.309 2.438 . 0 0 "[ . 1 . 2]" 1
193 1 78 THR H 1 78 THR MG 4.500 . 5.500 3.813 3.769 3.850 . 0 0 "[ . 1 . 2]" 1
194 1 79 TYR HA 1 79 TYR HD1 4.000 . 5.000 2.962 2.717 3.930 . 0 0 "[ . 1 . 2]" 1
195 1 79 TYR H 1 79 TYR HB2 3.500 . 4.000 2.506 2.264 2.785 . 0 0 "[ . 1 . 2]" 1
196 1 79 TYR H 1 79 TYR HD2 4.000 . 5.000 3.069 2.494 5.155 0.155 9 0 "[ . 1 . 2]" 1
197 1 81 ASN HB2 1 81 ASN HD21 3.000 . 3.500 2.943 2.198 3.514 0.014 17 0 "[ . 1 . 2]" 1
198 1 81 ASN HB2 1 81 ASN HD22 4.000 . 5.000 3.801 3.447 4.071 . 0 0 "[ . 1 . 2]" 1
199 1 81 ASN H 1 81 ASN HD21 5.000 . 6.000 3.439 2.256 5.076 . 0 0 "[ . 1 . 2]" 1
200 1 82 HIS HA 1 82 HIS HD2 5.000 . 6.000 4.167 2.733 4.939 . 0 0 "[ . 1 . 2]" 1
201 1 82 HIS HB3 1 82 HIS HD2 4.000 . 5.000 3.376 2.723 3.975 . 0 0 "[ . 1 . 2]" 1
202 1 82 HIS H 1 82 HIS HB2 3.000 . 3.500 2.961 2.376 3.629 0.129 13 0 "[ . 1 . 2]" 1
203 1 82 HIS H 1 82 HIS HB3 3.000 . 3.500 2.625 2.476 3.606 0.106 8 0 "[ . 1 . 2]" 1
204 1 84 SER H 1 84 SER HB2 3.500 . 4.000 2.968 2.530 3.605 . 0 0 "[ . 1 . 2]" 1
205 1 84 SER H 1 84 SER HB3 3.500 . 4.000 3.115 2.491 3.640 . 0 0 "[ . 1 . 2]" 1
206 1 85 TYR H 1 85 TYR HB2 3.500 . 4.000 2.607 2.468 2.709 . 0 0 "[ . 1 . 2]" 1
207 1 85 TYR H 1 85 TYR HB3 3.500 . 4.000 2.374 2.201 2.521 . 0 0 "[ . 1 . 2]" 1
208 1 86 LEU HA 1 86 LEU QD 3.500 . 4.000 2.140 1.884 2.822 . 0 0 "[ . 1 . 2]" 1
209 1 86 LEU H 1 86 LEU HB2 4.000 . 5.000 2.401 2.295 2.501 . 0 0 "[ . 1 . 2]" 1
210 1 86 LEU H 1 86 LEU HB3 3.500 . 4.000 3.067 2.405 3.605 . 0 0 "[ . 1 . 2]" 1
211 1 86 LEU H 1 86 LEU QD 4.000 . 5.000 2.719 1.785 3.671 0.015 2 0 "[ . 1 . 2]" 1
212 1 86 LEU H 1 86 LEU HG 3.500 . 4.000 4.088 3.566 4.375 0.375 3 0 "[ . 1 . 2]" 1
213 1 87 ARG H 1 87 ARG HB2 3.000 . 3.500 2.456 2.371 2.582 . 0 0 "[ . 1 . 2]" 1
214 1 87 ARG H 1 87 ARG HB3 3.500 . 4.000 3.185 2.498 3.610 . 0 0 "[ . 1 . 2]" 1
215 1 89 LEU HA 1 89 LEU MD1 3.000 . 3.500 2.287 1.956 3.777 0.277 8 0 "[ . 1 . 2]" 1
216 1 89 LEU HA 1 89 LEU MD2 4.500 . 5.500 3.341 1.968 3.919 . 0 0 "[ . 1 . 2]" 1
217 1 89 LEU HB3 1 89 LEU MD2 3.000 . 3.500 2.537 2.256 3.209 . 0 0 "[ . 1 . 2]" 1
218 1 89 LEU H 1 89 LEU HB2 3.000 . 3.500 2.390 2.221 2.590 . 0 0 "[ . 1 . 2]" 1
219 1 89 LEU H 1 89 LEU HB3 3.000 . 3.500 2.992 2.475 3.591 0.091 13 0 "[ . 1 . 2]" 1
220 1 89 LEU H 1 89 LEU MD1 4.500 . 5.500 3.817 2.300 4.151 . 0 0 "[ . 1 . 2]" 1
221 1 89 LEU H 1 89 LEU MD2 4.500 . 5.500 3.632 2.201 4.300 . 0 0 "[ . 1 . 2]" 1
222 1 90 ARG HA 1 90 ARG HG2 3.500 . 4.000 3.521 2.772 3.846 . 0 0 "[ . 1 . 2]" 1
223 1 90 ARG HA 1 90 ARG HG3 4.000 . 5.000 3.750 3.682 3.818 . 0 0 "[ . 1 . 2]" 1
224 1 90 ARG HE 1 90 ARG HG2 4.000 . 5.000 3.197 2.333 4.048 . 0 0 "[ . 1 . 2]" 1
225 1 90 ARG HE 1 90 ARG HG3 4.000 . 5.000 2.790 2.366 3.923 . 0 0 "[ . 1 . 2]" 1
226 1 90 ARG H 1 90 ARG HG2 3.000 . 3.500 2.353 2.052 2.866 . 0 0 "[ . 1 . 2]" 1
227 1 90 ARG H 1 90 ARG HG3 4.000 . 5.000 3.586 3.173 4.373 . 0 0 "[ . 1 . 2]" 1
228 1 91 GLU H 1 91 GLU HB2 4.000 . 5.000 3.274 2.415 3.910 . 0 0 "[ . 1 . 2]" 1
229 1 91 GLU H 1 91 GLU HB3 3.500 . 4.000 3.154 2.518 3.764 . 0 0 "[ . 1 . 2]" 1
230 1 92 HIS HB2 1 92 HIS HD2 4.000 . 5.000 3.230 2.676 3.944 . 0 0 "[ . 1 . 2]" 1
231 1 92 HIS HB3 1 92 HIS HD2 3.500 . 4.000 3.525 2.772 3.974 . 0 0 "[ . 1 . 2]" 1
232 1 92 HIS H 1 92 HIS HB2 3.000 . 3.500 2.893 2.420 3.755 0.255 12 0 "[ . 1 . 2]" 1
233 1 92 HIS H 1 92 HIS HB3 3.500 . 4.000 3.165 2.448 4.049 0.049 8 0 "[ . 1 . 2]" 1
234 1 94 THR HA 1 94 THR MG 3.000 . 3.500 2.382 2.257 3.205 . 0 0 "[ . 1 . 2]" 1
235 1 94 THR H 1 94 THR HB 2.500 . 3.000 2.653 2.488 2.960 . 0 0 "[ . 1 . 2]" 1
236 1 94 THR H 1 94 THR MG 4.000 . 5.000 3.802 3.457 3.966 . 0 0 "[ . 1 . 2]" 1
237 1 95 ILE HA 1 95 ILE MD 3.500 . 4.000 3.768 2.290 3.867 . 0 0 "[ . 1 . 2]" 1
238 1 95 ILE HA 1 95 ILE MG 3.500 . 4.000 2.473 2.412 2.610 . 0 0 "[ . 1 . 2]" 1
239 1 95 ILE HB 1 95 ILE MD 3.500 . 4.000 2.432 2.364 3.188 . 0 0 "[ . 1 . 2]" 1
240 1 95 ILE H 1 95 ILE HB 3.500 . 4.000 2.504 2.294 2.570 . 0 0 "[ . 1 . 2]" 1
241 1 95 ILE H 1 95 ILE HG12 4.000 . 5.000 3.896 2.846 4.114 . 0 0 "[ . 1 . 2]" 1
242 1 95 ILE H 1 95 ILE HG13 4.000 . 5.000 2.792 2.249 3.700 . 0 0 "[ . 1 . 2]" 1
243 1 96 TYR HA 1 96 TYR QD 3.000 . 3.500 2.933 2.760 3.077 . 0 0 "[ . 1 . 2]" 1
244 1 96 TYR HA 1 96 TYR QE 5.000 . 6.000 4.525 4.437 4.618 . 0 0 "[ . 1 . 2]" 1
245 1 99 ALA H 1 99 ALA MB 3.000 . 3.500 2.562 2.382 2.662 . 0 0 "[ . 1 . 2]" 1
246 1 100 ALA H 1 100 ALA MB 3.000 . 3.500 2.281 2.239 2.336 . 0 0 "[ . 1 . 2]" 1
247 1 101 ILE HA 1 101 ILE MD 4.500 . 5.500 4.132 3.573 4.214 . 0 0 "[ . 1 . 2]" 1
248 1 101 ILE HA 1 101 ILE HG13 4.000 . 5.000 3.660 3.128 3.756 . 0 0 "[ . 1 . 2]" 1
249 1 101 ILE HA 1 101 ILE MG 3.500 . 4.000 2.342 2.303 2.392 . 0 0 "[ . 1 . 2]" 1
250 1 101 ILE H 1 101 ILE HB 4.000 . 5.000 3.517 2.534 3.711 . 0 0 "[ . 1 . 2]" 1
251 1 101 ILE H 1 101 ILE HG12 4.000 . 5.000 2.237 1.969 3.541 . 0 0 "[ . 1 . 2]" 1
252 1 101 ILE H 1 101 ILE HG13 4.000 . 5.000 2.869 2.389 3.017 . 0 0 "[ . 1 . 2]" 1
253 1 104 VAL H 1 104 VAL QG 3.500 . 4.000 2.134 1.998 2.271 . 0 0 "[ . 1 . 2]" 1
254 1 106 TYR HA 1 106 TYR QD 3.500 . 4.000 2.835 2.704 3.068 . 0 0 "[ . 1 . 2]" 1
255 1 106 TYR HA 1 106 TYR QE 5.000 . 6.000 4.655 4.577 4.778 . 0 0 "[ . 1 . 2]" 1
256 1 106 TYR H 1 106 TYR HB2 3.500 . 4.000 2.526 2.404 3.084 . 0 0 "[ . 1 . 2]" 1
257 1 106 TYR H 1 106 TYR HB3 3.000 . 3.500 2.616 2.424 3.588 0.088 7 0 "[ . 1 . 2]" 1
258 1 106 TYR H 1 106 TYR QD 5.000 . 6.000 4.203 4.158 4.358 . 0 0 "[ . 1 . 2]" 1
259 1 108 HIS HA 1 108 HIS HD2 5.000 . 6.000 3.829 3.049 4.833 . 0 0 "[ . 1 . 2]" 1
260 1 108 HIS HB2 1 108 HIS HD2 4.000 . 5.000 3.305 2.731 3.909 . 0 0 "[ . 1 . 2]" 1
261 1 108 HIS HB3 1 108 HIS HD2 4.000 . 5.000 3.400 2.713 3.979 . 0 0 "[ . 1 . 2]" 1
262 1 108 HIS H 1 108 HIS HB2 3.000 . 3.500 2.774 2.336 3.633 0.133 16 0 "[ . 1 . 2]" 1
263 1 108 HIS H 1 108 HIS HB3 3.500 . 4.000 2.819 2.435 3.605 . 0 0 "[ . 1 . 2]" 1
264 1 109 GLU HA 1 109 GLU HG2 3.500 . 4.000 3.248 3.041 3.778 . 0 0 "[ . 1 . 2]" 1
265 1 109 GLU H 1 109 GLU HG2 4.000 . 5.000 4.485 4.407 4.633 . 0 0 "[ . 1 . 2]" 1
266 1 109 GLU H 1 109 GLU HG3 4.000 . 5.000 4.460 4.413 4.515 . 0 0 "[ . 1 . 2]" 1
267 1 110 LEU HA 1 110 LEU MD1 3.000 . 3.500 2.206 2.095 2.997 . 0 0 "[ . 1 . 2]" 1
268 1 110 LEU HA 1 110 LEU MD2 4.000 . 5.000 3.817 2.047 3.938 . 0 0 "[ . 1 . 2]" 1
269 1 110 LEU H 1 110 LEU HG 4.000 . 5.000 4.463 4.428 4.533 . 0 0 "[ . 1 . 2]" 1
270 1 111 ILE HA 1 111 ILE MD 3.000 . 3.500 2.084 1.982 2.539 . 0 0 "[ . 1 . 2]" 1
271 1 111 ILE HA 1 111 ILE MG 3.500 . 4.000 2.425 2.372 2.646 . 0 0 "[ . 1 . 2]" 1
272 1 111 ILE HB 1 111 ILE MD 3.500 . 4.000 3.203 2.448 3.247 . 0 0 "[ . 1 . 2]" 1
273 1 111 ILE H 1 111 ILE HB 3.000 . 3.500 2.542 2.286 2.619 . 0 0 "[ . 1 . 2]" 1
274 1 111 ILE H 1 111 ILE HG12 3.500 . 4.000 2.149 1.994 3.903 . 0 0 "[ . 1 . 2]" 1
275 1 111 ILE H 1 111 ILE HG13 3.000 . 3.500 3.564 3.519 3.740 0.240 6 0 "[ . 1 . 2]" 1
276 1 111 ILE H 1 111 ILE MG 4.000 . 5.000 3.762 3.685 3.782 . 0 0 "[ . 1 . 2]" 1
277 1 113 GLU HA 1 113 GLU HG2 3.500 . 4.000 2.965 2.462 3.805 . 0 0 "[ . 1 . 2]" 1
278 1 113 GLU HA 1 113 GLU HG3 3.500 . 4.000 3.206 2.515 3.768 . 0 0 "[ . 1 . 2]" 1
279 1 113 GLU H 1 113 GLU HG2 4.000 . 5.000 3.448 2.158 4.647 . 0 0 "[ . 1 . 2]" 1
280 1 114 LEU HA 1 114 LEU MD1 3.000 . 3.500 3.400 2.204 3.828 0.328 18 0 "[ . 1 . 2]" 1
281 1 114 LEU HA 1 114 LEU MD2 4.500 . 5.500 2.549 1.964 4.058 . 0 0 "[ . 1 . 2]" 1
282 1 114 LEU HA 1 114 LEU HG 4.000 . 5.000 2.935 2.356 3.712 . 0 0 "[ . 1 . 2]" 1
283 1 114 LEU H 1 114 LEU HB2 3.000 . 3.500 2.414 2.217 3.623 0.123 10 0 "[ . 1 . 2]" 1
284 1 114 LEU H 1 114 LEU HB3 3.000 . 3.500 3.508 2.853 3.578 0.078 5 0 "[ . 1 . 2]" 1
285 1 114 LEU H 1 114 LEU MD2 4.500 . 5.500 3.448 2.171 3.960 . 0 0 "[ . 1 . 2]" 1
286 1 114 LEU H 1 114 LEU HG 3.000 . 3.500 2.754 1.898 3.861 0.361 16 0 "[ . 1 . 2]" 1
287 1 115 SER H 1 115 SER HB2 3.000 . 3.500 2.878 2.344 3.585 0.085 14 0 "[ . 1 . 2]" 1
288 1 116 ARG HA 1 116 ARG HG2 3.500 . 4.000 3.020 2.487 3.808 . 0 0 "[ . 1 . 2]" 1
289 1 116 ARG HA 1 116 ARG HG3 3.500 . 4.000 3.320 2.449 3.774 . 0 0 "[ . 1 . 2]" 1
290 1 116 ARG H 1 116 ARG HG2 3.500 . 4.000 3.033 2.098 4.322 0.322 13 0 "[ . 1 . 2]" 1
291 1 116 ARG H 1 116 ARG HG3 3.500 . 4.000 3.088 2.334 4.286 0.286 13 0 "[ . 1 . 2]" 1
292 1 117 GLU H 1 117 GLU HB2 3.500 . 4.000 3.084 2.164 3.984 . 0 0 "[ . 1 . 2]" 1
293 1 117 GLU H 1 117 GLU HB3 3.500 . 4.000 3.515 2.507 4.084 0.084 8 0 "[ . 1 . 2]" 1
294 1 119 HIS H 1 119 HIS HB2 4.000 . 5.000 2.906 2.247 4.055 . 0 0 "[ . 1 . 2]" 1
295 1 119 HIS H 1 119 HIS HB3 3.500 . 4.000 3.252 2.404 4.059 0.059 15 0 "[ . 1 . 2]" 1
296 1 63 ARG HB3 1 63 ARG QD 3.500 . 4.000 2.565 2.262 3.516 . 0 0 "[ . 1 . 2]" 1
297 1 6 GLU H 1 6 GLU QG 4.000 . 5.000 3.078 2.067 4.426 . 0 0 "[ . 1 . 2]" 1
298 1 59 GLN H 1 59 GLN QG 3.500 . 4.000 3.357 2.112 4.148 0.148 5 0 "[ . 1 . 2]" 1
299 1 64 ARG HB3 1 64 ARG QD 3.500 . 4.000 2.489 2.242 3.456 . 0 0 "[ . 1 . 2]" 1
300 1 6 GLU HA 1 6 GLU QG 3.000 . 3.500 2.749 2.345 3.454 . 0 0 "[ . 1 . 2]" 1
301 1 117 GLU HA 1 117 GLU QG 3.000 . 3.500 2.580 2.344 3.362 . 0 0 "[ . 1 . 2]" 1
302 1 116 ARG H 1 116 ARG QB 3.000 . 3.500 2.412 2.184 2.689 . 0 0 "[ . 1 . 2]" 1
303 1 90 ARG HA 1 90 ARG QD 4.000 . 5.000 3.601 1.879 4.565 . 0 0 "[ . 1 . 2]" 1
304 1 116 ARG QB 1 116 ARG HG2 2.500 . 3.000 2.336 2.273 2.406 . 0 0 "[ . 1 . 2]" 1
305 1 24 LYS QE 1 24 LYS HG2 . . 3.500 2.620 2.271 3.508 0.008 5 0 "[ . 1 . 2]" 1
306 1 107 LYS HB2 1 107 LYS QD 2.500 . 3.000 2.476 2.328 3.233 0.233 3 0 "[ . 1 . 2]" 1
307 1 113 GLU H 1 113 GLU QB 3.000 . 3.500 2.381 2.243 2.603 . 0 0 "[ . 1 . 2]" 1
308 1 76 LYS HE2 1 76 LYS QG 3.500 . 4.000 2.688 2.201 3.473 . 0 0 "[ . 1 . 2]" 1
309 1 65 ARG HA 1 65 ARG QD 3.500 . 4.000 3.825 2.079 4.286 0.286 10 0 "[ . 1 . 2]" 1
310 1 59 GLN HA 1 59 GLN QG 3.500 . 4.000 2.532 2.325 3.372 . 0 0 "[ . 1 . 2]" 1
311 1 112 SER HA 1 112 SER QB 2.500 . 3.000 2.350 2.170 2.448 . 0 0 "[ . 1 . 2]" 1
312 1 112 SER H 1 112 SER QB 2.500 . 3.000 2.450 2.179 2.699 . 0 0 "[ . 1 . 2]" 1
313 1 8 GLU H 1 8 GLU QG 3.000 . 3.500 2.988 2.038 3.980 0.480 14 0 "[ . 1 . 2]" 1
314 1 46 ASP H 1 46 ASP QB 3.000 . 3.500 2.756 2.260 3.413 . 0 0 "[ . 1 . 2]" 1
315 1 63 ARG H 1 63 ARG QG 3.000 . 3.500 3.190 1.883 3.957 0.457 5 0 "[ . 1 . 2]" 1
316 1 19 ARG H 1 19 ARG QD 5.000 . 6.000 4.419 2.006 5.104 . 0 0 "[ . 1 . 2]" 1
317 1 63 ARG HB2 1 63 ARG QD 3.000 . 3.500 2.897 2.304 3.323 . 0 0 "[ . 1 . 2]" 1
318 1 110 LEU H 1 110 LEU QB 3.000 . 3.500 2.231 2.172 2.247 . 0 0 "[ . 1 . 2]" 1
319 1 19 ARG HB3 1 19 ARG QD 3.000 . 3.500 2.623 2.235 3.510 0.010 4 0 "[ . 1 . 2]" 1
320 1 43 GLU H 1 43 GLU QG 3.500 . 4.000 2.710 1.730 4.172 0.172 16 0 "[ . 1 . 2]" 1
321 1 24 LYS QE 1 24 LYS HG3 . . 3.500 2.512 2.191 3.309 . 0 0 "[ . 1 . 2]" 1
322 1 64 ARG HB2 1 64 ARG QD 3.500 . 4.000 2.857 2.230 3.447 . 0 0 "[ . 1 . 2]" 1
323 1 72 ARG HA 1 72 ARG QD 4.000 . 5.000 3.807 2.075 4.514 . 0 0 "[ . 1 . 2]" 1
324 1 63 ARG HE 1 63 ARG QG 3.500 . 4.000 2.433 2.223 3.150 . 0 0 "[ . 1 . 2]" 1
325 1 20 GLU H 1 20 GLU QB 3.000 . 3.500 2.365 2.179 2.945 . 0 0 "[ . 1 . 2]" 1
326 1 116 ARG H 1 116 ARG QD 5.000 . 6.000 3.825 3.433 4.326 . 0 0 "[ . 1 . 2]" 1
327 1 113 GLU QB 1 113 GLU HG2 2.500 . 3.000 2.325 2.161 2.397 . 0 0 "[ . 1 . 2]" 1
328 1 87 ARG HA 1 87 ARG QD 4.000 . 5.000 3.573 1.970 4.256 . 0 0 "[ . 1 . 2]" 1
329 1 42 SER H 1 42 SER QB 3.000 . 3.500 2.727 2.383 3.354 . 0 0 "[ . 1 . 2]" 1
330 1 63 ARG HA 1 63 ARG QG 3.000 . 3.500 2.876 2.340 3.564 0.064 6 0 "[ . 1 . 2]" 1
331 1 62 ASN HA 1 62 ASN QB 2.500 . 3.000 2.335 2.180 2.448 . 0 0 "[ . 1 . 2]" 1
332 1 72 ARG HB3 1 72 ARG QD . . 3.500 2.510 2.350 2.967 . 0 0 "[ . 1 . 2]" 1
333 1 63 ARG HA 1 63 ARG QD 3.500 . 4.000 3.034 1.871 4.220 0.220 2 0 "[ . 1 . 2]" 1
334 1 83 SER H 1 83 SER QB 3.000 . 3.500 2.480 2.234 2.675 . 0 0 "[ . 1 . 2]" 1
335 1 81 ASN H 1 81 ASN QB 3.000 . 3.500 2.553 2.336 3.171 . 0 0 "[ . 1 . 2]" 1
336 1 107 LYS HA 1 107 LYS QG 3.500 . 4.000 2.432 2.323 2.776 . 0 0 "[ . 1 . 2]" 1
337 1 48 GLU H 1 48 GLU QG 3.500 . 4.000 3.499 1.851 4.163 0.163 18 0 "[ . 1 . 2]" 1
338 1 2 SER HA 1 2 SER QB 2.500 . 3.000 2.316 2.176 2.419 . 0 0 "[ . 1 . 2]" 1
339 1 22 ILE H 1 22 ILE QG 3.000 . 3.500 2.002 1.729 2.316 0.071 11 0 "[ . 1 . 2]" 1
340 1 117 GLU H 1 117 GLU QG 4.000 . 5.000 3.498 2.415 4.542 . 0 0 "[ . 1 . 2]" 1
341 1 64 ARG HA 1 64 ARG QD 3.500 . 4.000 3.672 2.038 4.342 0.342 10 0 "[ . 1 . 2]" 1
342 1 42 SER HA 1 42 SER QB 2.500 . 3.000 2.307 2.174 2.402 . 0 0 "[ . 1 . 2]" 1
343 1 41 GLU HA 1 41 GLU QG 3.500 . 4.000 2.604 2.379 3.363 . 0 0 "[ . 1 . 2]" 1
344 1 37 LEU H 1 37 LEU QB 3.000 . 3.500 2.940 2.474 3.411 . 0 0 "[ . 1 . 2]" 1
345 1 110 LEU QB 1 110 LEU MD2 3.000 . 3.500 2.102 2.084 2.334 . 0 0 "[ . 1 . 2]" 1
346 1 107 LYS HA 1 107 LYS QD 3.500 . 4.000 3.862 2.019 4.184 0.184 13 0 "[ . 1 . 2]" 1
347 1 72 ARG H 1 72 ARG QD 5.000 . 6.000 4.277 3.444 5.365 . 0 0 "[ . 1 . 2]" 1
348 1 90 ARG H 1 90 ARG QB 3.500 . 4.000 2.655 2.184 3.332 . 0 0 "[ . 1 . 2]" 1
349 1 62 ASN QB 1 62 ASN HD22 3.000 . 3.500 3.256 3.206 3.492 . 0 0 "[ . 1 . 2]" 1
350 1 113 GLU QB 1 113 GLU HG3 2.500 . 3.000 2.294 2.149 2.366 . 0 0 "[ . 1 . 2]" 1
351 1 25 GLN H 1 25 GLN QB 3.000 . 3.500 2.366 2.162 2.472 . 0 0 "[ . 1 . 2]" 1
352 1 43 GLU HA 1 43 GLU QG 3.000 . 3.500 2.899 2.418 3.565 0.065 1 0 "[ . 1 . 2]" 1
353 1 109 GLU H 1 109 GLU QB 3.000 . 3.500 2.249 2.212 2.317 . 0 0 "[ . 1 . 2]" 1
354 1 41 GLU H 1 41 GLU QB 3.000 . 3.500 2.912 2.340 3.391 . 0 0 "[ . 1 . 2]" 1
355 1 19 ARG HA 1 19 ARG QD 4.000 . 5.000 4.049 2.221 4.533 . 0 0 "[ . 1 . 2]" 1
356 1 107 LYS HB3 1 107 LYS QG 2.500 . 3.000 2.338 2.168 2.399 . 0 0 "[ . 1 . 2]" 1
357 1 62 ASN H 1 62 ASN QB 3.000 . 3.500 2.711 2.373 3.346 . 0 0 "[ . 1 . 2]" 1
358 1 41 GLU H 1 41 GLU QG 4.000 . 5.000 3.456 2.577 4.489 . 0 0 "[ . 1 . 2]" 1
359 1 107 LYS HB3 1 107 LYS QD 3.500 . 4.000 2.470 2.254 3.295 . 0 0 "[ . 1 . 2]" 1
360 1 110 LEU QB 1 110 LEU MD1 3.000 . 3.500 2.275 2.197 2.316 . 0 0 "[ . 1 . 2]" 1
361 1 116 ARG HA 1 116 ARG QD 4.000 . 5.000 3.757 1.971 4.526 . 0 0 "[ . 1 . 2]" 1
362 1 48 GLU HA 1 48 GLU QG 3.500 . 4.000 2.547 2.301 3.339 . 0 0 "[ . 1 . 2]" 1
363 1 32 GLN H 1 32 GLN QG 3.500 . 4.000 2.979 1.988 4.029 0.029 10 0 "[ . 1 . 2]" 1
364 1 87 ARG H 1 87 ARG QD 5.000 . 6.000 4.043 3.333 4.667 . 0 0 "[ . 1 . 2]" 1
365 1 2 SER HA 1 3 LEU H 4.000 . 5.000 2.729 2.106 3.557 . 0 0 "[ . 1 . 2]" 1
366 1 3 LEU HA 1 4 GLY H 3.500 . 4.000 2.865 2.146 3.555 . 0 0 "[ . 1 . 2]" 1
367 1 4 GLY HA3 1 5 SER H 3.000 . 3.500 2.915 2.180 3.534 0.034 3 0 "[ . 1 . 2]" 1
368 1 5 SER HA 1 6 GLU H 3.000 . 3.500 2.563 2.148 3.548 0.048 18 0 "[ . 1 . 2]" 1
369 1 5 SER HB2 1 6 GLU H 5.000 . 6.000 3.178 2.390 3.984 . 0 0 "[ . 1 . 2]" 1
370 1 5 SER HB3 1 6 GLU H 5.000 . 6.000 3.443 1.951 4.268 . 0 0 "[ . 1 . 2]" 1
371 1 5 SER H 1 6 GLU H 4.000 . 5.000 4.129 2.317 4.652 . 0 0 "[ . 1 . 2]" 1
372 1 6 GLU HA 1 7 SER H 2.500 . 3.000 2.874 2.365 3.441 0.441 13 0 "[ . 1 . 2]" 1
373 1 6 GLU HB3 1 7 SER H 5.000 . 6.000 4.161 2.852 4.463 . 0 0 "[ . 1 . 2]" 1
374 1 6 GLU H 1 7 SER H 3.000 . 3.500 2.842 2.197 3.650 0.150 20 0 "[ . 1 . 2]" 1
375 1 7 SER HA 1 8 GLU H 2.500 . 3.000 2.896 2.121 3.446 0.446 3 0 "[ . 1 . 2]" 1
376 1 7 SER H 1 8 GLU HB3 5.000 . 6.000 5.781 4.927 6.240 0.240 9 0 "[ . 1 . 2]" 1
377 1 7 SER H 1 8 GLU H 3.000 . 3.500 3.145 2.216 4.131 0.631 20 2 "[- . 1 . +]" 1
378 1 8 GLU HA 1 9 THR MG 5.500 . 6.500 5.320 3.719 6.061 . 0 0 "[ . 1 . 2]" 1
379 1 8 GLU HA 1 9 THR H 2.500 . 3.000 2.937 2.167 3.464 0.464 10 0 "[ . 1 . 2]" 1
380 1 8 GLU HB2 1 9 THR H 5.000 . 6.000 3.911 1.811 4.510 . 0 0 "[ . 1 . 2]" 1
381 1 8 GLU HB3 1 9 THR H 4.000 . 5.000 3.941 2.259 4.575 . 0 0 "[ . 1 . 2]" 1
382 1 8 GLU H 1 9 THR H 3.000 . 3.500 2.852 2.176 4.142 0.642 1 1 "[+ . 1 . 2]" 1
383 1 9 THR MG 1 10 GLY H 4.500 . 5.500 3.646 2.605 4.306 . 0 0 "[ . 1 . 2]" 1
384 1 9 THR H 1 10 GLY H 3.000 . 3.500 2.931 2.351 3.722 0.222 18 0 "[ . 1 . 2]" 1
385 1 11 ASN HA 1 12 ALA H 3.500 . 4.000 3.123 2.967 3.509 . 0 0 "[ . 1 . 2]" 1
386 1 11 ASN H 1 12 ALA MB 5.500 . 6.500 3.839 3.606 4.399 . 0 0 "[ . 1 . 2]" 1
387 1 11 ASN H 1 12 ALA H 3.000 . 3.500 2.433 2.072 2.691 . 0 0 "[ . 1 . 2]" 1
388 1 12 ALA HA 1 13 VAL H 3.000 . 3.500 2.192 2.132 2.255 . 0 0 "[ . 1 . 2]" 1
389 1 12 ALA MB 1 13 VAL QG 4.500 . 5.000 3.864 3.815 3.949 . 0 0 "[ . 1 . 2]" 1
390 1 12 ALA MB 1 13 VAL H 4.000 . 5.000 2.892 2.758 3.065 . 0 0 "[ . 1 . 2]" 1
391 1 12 ALA H 1 13 VAL H 5.000 . 6.000 4.445 4.307 4.570 . 0 0 "[ . 1 . 2]" 1
392 1 13 VAL HA 1 14 VAL H 3.000 . 3.500 2.331 2.270 2.424 . 0 0 "[ . 1 . 2]" 1
393 1 13 VAL HB 1 14 VAL H 3.500 . 4.000 2.476 2.337 2.612 . 0 0 "[ . 1 . 2]" 1
394 1 13 VAL QG 1 14 VAL H 4.000 . 5.000 3.175 3.119 3.248 . 0 0 "[ . 1 . 2]" 1
395 1 14 VAL HA 1 15 VAL H 3.000 . 3.500 2.140 2.108 2.172 . 0 0 "[ . 1 . 2]" 1
396 1 14 VAL QG 1 15 VAL H 4.000 . 5.000 2.839 2.637 2.992 . 0 0 "[ . 1 . 2]" 1
397 1 15 VAL HA 1 16 PHE QD 5.000 . 6.000 3.574 3.352 3.797 . 0 0 "[ . 1 . 2]" 1
398 1 15 VAL HA 1 16 PHE H 3.000 . 3.500 2.155 2.117 2.225 . 0 0 "[ . 1 . 2]" 1
399 1 15 VAL QG 1 16 PHE HA 5.500 . 6.500 3.520 3.358 3.728 . 0 0 "[ . 1 . 2]" 1
400 1 15 VAL QG 1 16 PHE H 4.000 . 5.000 2.575 2.419 2.794 . 0 0 "[ . 1 . 2]" 1
401 1 16 PHE HA 1 17 GLY H 3.500 . 4.000 2.410 2.286 2.505 . 0 0 "[ . 1 . 2]" 1
402 1 16 PHE HB2 1 17 GLY H 4.000 . 5.000 2.409 2.212 2.646 . 0 0 "[ . 1 . 2]" 1
403 1 16 PHE HB3 1 17 GLY H 3.500 . 4.000 3.718 3.640 3.835 . 0 0 "[ . 1 . 2]" 1
404 1 16 PHE QD 1 17 GLY HA3 5.000 . 6.000 3.701 3.416 3.998 . 0 0 "[ . 1 . 2]" 1
405 1 16 PHE QD 1 17 GLY H 4.000 . 5.000 3.378 3.017 3.718 . 0 0 "[ . 1 . 2]" 1
406 1 17 GLY HA2 1 18 TYR H 4.000 . 5.000 3.239 2.894 3.472 . 0 0 "[ . 1 . 2]" 1
407 1 17 GLY HA3 1 18 TYR H 4.000 . 5.000 3.259 2.934 3.539 . 0 0 "[ . 1 . 2]" 1
408 1 17 GLY H 1 18 TYR H 3.000 . 3.500 2.167 1.961 2.512 . 0 0 "[ . 1 . 2]" 1
409 1 18 TYR HA 1 19 ARG H 3.500 . 4.000 2.481 2.243 2.736 . 0 0 "[ . 1 . 2]" 1
410 1 18 TYR HB2 1 19 ARG H 4.000 . 5.000 2.249 1.797 2.622 0.003 17 0 "[ . 1 . 2]" 1
411 1 18 TYR HB3 1 19 ARG H 3.500 . 4.000 3.613 3.305 3.908 . 0 0 "[ . 1 . 2]" 1
412 1 18 TYR QD 1 19 ARG H 4.000 . 5.000 3.236 2.638 3.836 . 0 0 "[ . 1 . 2]" 1
413 1 18 TYR H 1 19 ARG H 5.000 . 6.000 4.431 4.369 4.527 . 0 0 "[ . 1 . 2]" 1
414 1 19 ARG HA 1 20 GLU H 3.000 . 3.500 2.555 2.255 3.544 0.044 4 0 "[ . 1 . 2]" 1
415 1 19 ARG HB2 1 20 GLU H 4.000 . 5.000 3.218 2.207 4.096 . 0 0 "[ . 1 . 2]" 1
416 1 19 ARG H 1 20 GLU H 5.000 . 6.000 4.246 2.966 4.524 . 0 0 "[ . 1 . 2]" 1
417 1 20 GLU HA 1 21 ALA H 5.000 . 6.000 2.889 2.163 3.572 . 0 0 "[ . 1 . 2]" 1
418 1 20 GLU HB3 1 21 ALA H 4.000 . 5.000 3.692 2.084 4.444 . 0 0 "[ . 1 . 2]" 1
419 1 20 GLU H 1 21 ALA H 3.500 . 4.000 3.239 2.022 4.103 0.103 5 0 "[ . 1 . 2]" 1
420 1 21 ALA HA 1 22 ILE H 5.000 . 6.000 3.380 2.984 3.502 . 0 0 "[ . 1 . 2]" 1
421 1 21 ALA MB 1 22 ILE HA 5.500 . 6.500 3.992 3.868 4.234 . 0 0 "[ . 1 . 2]" 1
422 1 21 ALA MB 1 22 ILE MG 4.000 . 5.000 3.081 2.599 3.689 . 0 0 "[ . 1 . 2]" 1
423 1 21 ALA H 1 22 ILE MG 5.500 . 6.500 3.895 3.388 4.350 . 0 0 "[ . 1 . 2]" 1
424 1 21 ALA H 1 22 ILE H 3.500 . 4.000 2.228 1.692 2.833 0.108 7 0 "[ . 1 . 2]" 1
425 1 22 ILE HA 1 23 THR H 4.000 . 5.000 3.002 2.857 3.249 . 0 0 "[ . 1 . 2]" 1
426 1 23 THR HA 1 24 LYS H 5.000 . 6.000 3.569 3.529 3.596 . 0 0 "[ . 1 . 2]" 1
427 1 23 THR HB 1 24 LYS HD2 5.000 . 6.000 4.078 1.997 5.238 . 0 0 "[ . 1 . 2]" 1
428 1 23 THR HB 1 24 LYS H 3.500 . 4.000 2.274 1.851 2.541 . 0 0 "[ . 1 . 2]" 1
429 1 23 THR MG 1 24 LYS HA 4.500 . 5.500 3.451 2.988 3.740 . 0 0 "[ . 1 . 2]" 1
430 1 23 THR MG 1 24 LYS HB3 5.500 . 6.500 5.290 3.767 5.722 . 0 0 "[ . 1 . 2]" 1
431 1 23 THR MG 1 24 LYS H 4.000 . 5.000 3.332 2.766 3.610 . 0 0 "[ . 1 . 2]" 1
432 1 23 THR H 1 24 LYS H 3.500 . 4.000 2.996 2.753 3.351 . 0 0 "[ . 1 . 2]" 1
433 1 24 LYS HA 1 25 GLN H 5.000 . 6.000 3.489 3.367 3.546 . 0 0 "[ . 1 . 2]" 1
434 1 24 LYS HB2 1 25 GLN H 4.000 . 5.000 2.841 2.558 3.694 . 0 0 "[ . 1 . 2]" 1
435 1 24 LYS HB3 1 25 GLN H 4.000 . 5.000 3.795 3.327 4.425 . 0 0 "[ . 1 . 2]" 1
436 1 24 LYS H 1 25 GLN H 3.500 . 4.000 2.701 2.465 2.887 . 0 0 "[ . 1 . 2]" 1
437 1 25 GLN HA 1 26 ILE H 5.000 . 6.000 3.584 3.559 3.624 . 0 0 "[ . 1 . 2]" 1
438 1 25 GLN QG 1 26 ILE MD 6.500 . 7.500 6.422 5.416 6.886 . 0 0 "[ . 1 . 2]" 1
439 1 25 GLN QG 1 26 ILE H 5.000 . 6.000 3.974 3.453 4.442 . 0 0 "[ . 1 . 2]" 1
440 1 25 GLN H 1 26 ILE H 3.000 . 3.500 2.853 2.658 3.077 . 0 0 "[ . 1 . 2]" 1
441 1 26 ILE HA 1 27 LEU H 6.000 . 7.000 3.478 3.372 3.547 . 0 0 "[ . 1 . 2]" 1
442 1 26 ILE HB 1 27 LEU H 3.500 . 4.000 3.716 2.927 4.020 0.020 4 0 "[ . 1 . 2]" 1
443 1 26 ILE MG 1 27 LEU HA 4.500 . 5.500 3.081 2.867 3.694 . 0 0 "[ . 1 . 2]" 1
444 1 26 ILE MG 1 27 LEU HB3 5.500 . 6.500 4.429 3.921 5.542 . 0 0 "[ . 1 . 2]" 1
445 1 26 ILE MG 1 27 LEU MD2 6.000 . 7.000 4.989 4.057 6.153 . 0 0 "[ . 1 . 2]" 1
446 1 26 ILE MG 1 27 LEU H 4.500 . 5.500 2.633 2.163 3.710 . 0 0 "[ . 1 . 2]" 1
447 1 26 ILE H 1 27 LEU H 3.000 . 3.500 2.593 2.196 2.766 . 0 0 "[ . 1 . 2]" 1
448 1 27 LEU HB2 1 28 ALA H 4.000 . 5.000 3.903 3.654 4.156 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU HB3 1 28 ALA H 3.500 . 4.000 2.683 2.369 3.017 . 0 0 "[ . 1 . 2]" 1
450 1 27 LEU MD1 1 28 ALA H 5.500 . 6.500 4.422 2.931 5.041 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU MD2 1 28 ALA H 4.500 . 5.500 4.096 3.228 4.649 . 0 0 "[ . 1 . 2]" 1
452 1 27 LEU H 1 28 ALA H 3.500 . 4.000 2.694 2.596 2.769 . 0 0 "[ . 1 . 2]" 1
453 1 28 ALA MB 1 29 TYR HB2 4.500 . 5.500 3.955 3.752 4.161 . 0 0 "[ . 1 . 2]" 1
454 1 28 ALA MB 1 29 TYR H 3.500 . 4.000 2.779 2.493 3.138 . 0 0 "[ . 1 . 2]" 1
455 1 28 ALA H 1 29 TYR H 3.000 . 3.500 2.742 2.608 2.867 . 0 0 "[ . 1 . 2]" 1
456 1 29 TYR HB2 1 30 PHE H 3.500 . 4.000 3.880 3.545 3.999 . 0 0 "[ . 1 . 2]" 1
457 1 29 TYR QD 1 30 PHE QD 4.000 . 5.000 2.690 2.139 3.133 . 0 0 "[ . 1 . 2]" 1
458 1 29 TYR QD 1 30 PHE QE 5.000 . 6.000 2.952 2.664 3.191 . 0 0 "[ . 1 . 2]" 1
459 1 29 TYR QD 1 30 PHE H 5.000 . 6.000 3.323 2.799 3.554 . 0 0 "[ . 1 . 2]" 1
460 1 29 TYR QE 1 30 PHE QB 5.000 . 6.000 5.311 4.921 5.476 . 0 0 "[ . 1 . 2]" 1
461 1 29 TYR H 1 30 PHE H 3.000 . 3.500 2.471 2.330 2.793 . 0 0 "[ . 1 . 2]" 1
462 1 30 PHE HA 1 31 ALA H 4.000 . 5.000 3.343 3.205 3.522 . 0 0 "[ . 1 . 2]" 1
463 1 30 PHE QB 1 31 ALA H 5.000 . 6.000 3.280 2.750 3.455 . 0 0 "[ . 1 . 2]" 1
464 1 30 PHE H 1 31 ALA MB 5.500 . 6.500 4.161 4.031 4.359 . 0 0 "[ . 1 . 2]" 1
465 1 30 PHE H 1 31 ALA H 3.000 . 3.500 2.489 2.364 2.627 . 0 0 "[ . 1 . 2]" 1
466 1 31 ALA HA 1 32 GLN H 5.000 . 6.000 3.401 3.256 3.519 . 0 0 "[ . 1 . 2]" 1
467 1 31 ALA MB 1 32 GLN H 4.000 . 5.000 2.977 2.684 3.256 . 0 0 "[ . 1 . 2]" 1
468 1 31 ALA H 1 32 GLN H 3.000 . 3.500 2.730 2.503 3.126 . 0 0 "[ . 1 . 2]" 1
469 1 32 GLN HA 1 33 PHE H 3.500 . 4.000 3.472 3.382 3.522 . 0 0 "[ . 1 . 2]" 1
470 1 32 GLN QB 1 33 PHE QD 4.000 . 5.000 2.995 2.403 3.432 . 0 0 "[ . 1 . 2]" 1
471 1 32 GLN QB 1 33 PHE H 4.000 . 5.000 2.798 2.511 3.075 . 0 0 "[ . 1 . 2]" 1
472 1 33 PHE HA 1 34 GLY H 4.000 . 5.000 3.436 2.683 3.608 . 0 0 "[ . 1 . 2]" 1
473 1 33 PHE HB2 1 34 GLY H 5.000 . 6.000 2.917 2.081 4.404 . 0 0 "[ . 1 . 2]" 1
474 1 33 PHE HB3 1 34 GLY H 5.000 . 6.000 3.812 3.116 4.708 . 0 0 "[ . 1 . 2]" 1
475 1 33 PHE H 1 34 GLY H 3.000 . 3.500 2.287 1.876 2.604 . 0 0 "[ . 1 . 2]" 1
476 1 34 GLY HA2 1 35 GLU H 3.000 . 3.500 2.666 2.107 3.441 . 0 0 "[ . 1 . 2]" 1
477 1 34 GLY HA3 1 35 GLU H 3.000 . 3.500 2.540 2.089 3.265 . 0 0 "[ . 1 . 2]" 1
478 1 34 GLY H 1 35 GLU H 4.000 . 5.000 4.238 3.835 4.506 . 0 0 "[ . 1 . 2]" 1
479 1 35 GLU HB2 1 36 ILE MG 5.500 . 6.500 6.380 5.770 6.986 0.486 2 0 "[ . 1 . 2]" 1
480 1 36 ILE HA 1 37 LEU MD1 4.500 . 5.500 4.487 3.283 5.612 0.112 7 0 "[ . 1 . 2]" 1
481 1 36 ILE HA 1 37 LEU MD2 5.500 . 6.500 5.621 4.029 6.347 . 0 0 "[ . 1 . 2]" 1
482 1 36 ILE HA 1 37 LEU H 3.000 . 3.500 3.015 2.093 3.579 0.079 1 0 "[ . 1 . 2]" 1
483 1 36 ILE HB 1 37 LEU MD2 4.500 . 5.500 4.706 3.577 6.083 0.583 3 1 "[ + . 1 . 2]" 1
484 1 36 ILE MG 1 37 LEU MD2 3.500 . 4.000 3.412 1.847 3.944 . 0 0 "[ . 1 . 2]" 1
485 1 36 ILE MG 1 37 LEU H 4.000 . 5.000 2.744 1.805 3.498 . 0 0 "[ . 1 . 2]" 1
486 1 37 LEU MD2 1 38 GLU H 5.500 . 6.500 3.692 3.097 4.368 . 0 0 "[ . 1 . 2]" 1
487 1 37 LEU H 1 38 GLU H 4.000 . 5.000 4.385 2.947 4.662 . 0 0 "[ . 1 . 2]" 1
488 1 38 GLU HA 1 39 ASP H 3.000 . 3.500 3.224 2.222 3.582 0.082 17 0 "[ . 1 . 2]" 1
489 1 38 GLU HB3 1 39 ASP HA 5.000 . 6.000 4.495 3.928 5.717 . 0 0 "[ . 1 . 2]" 1
490 1 39 ASP HA 1 40 LEU H 3.000 . 3.500 2.406 2.102 3.533 0.033 13 0 "[ . 1 . 2]" 1
491 1 40 LEU HA 1 41 GLU H 5.000 . 6.000 3.005 2.063 3.564 . 0 0 "[ . 1 . 2]" 1
492 1 40 LEU MD1 1 41 GLU HA 4.500 . 5.500 5.183 3.519 5.944 0.444 13 0 "[ . 1 . 2]" 1
493 1 40 LEU H 1 41 GLU H 3.000 . 3.500 2.929 1.679 3.909 0.409 1 0 "[ . 1 . 2]" 1
494 1 41 GLU HA 1 42 SER H 3.500 . 4.000 3.193 2.112 3.583 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLU HB2 1 42 SER H 3.500 . 4.000 3.083 1.839 4.078 0.078 7 0 "[ . 1 . 2]" 1
496 1 41 GLU H 1 42 SER H 4.000 . 5.000 3.577 1.859 4.633 . 0 0 "[ . 1 . 2]" 1
497 1 42 SER HA 1 43 GLU H 3.500 . 4.000 2.407 2.110 3.569 . 0 0 "[ . 1 . 2]" 1
498 1 42 SER H 1 43 GLU H 3.500 . 4.000 3.668 2.459 4.327 0.327 10 0 "[ . 1 . 2]" 1
499 1 43 GLU HB2 1 44 LEU MD1 4.500 . 5.500 4.124 2.114 5.690 0.190 5 0 "[ . 1 . 2]" 1
500 1 43 GLU HB2 1 44 LEU MD2 4.000 . 5.000 4.261 2.557 5.270 0.270 19 0 "[ . 1 . 2]" 1
501 1 43 GLU HB2 1 44 LEU H 4.000 . 5.000 2.703 1.716 4.395 0.084 13 0 "[ . 1 . 2]" 1
502 1 43 GLU HB3 1 44 LEU MD1 4.500 . 5.500 4.500 1.847 5.601 0.101 11 0 "[ . 1 . 2]" 1
503 1 43 GLU HB3 1 44 LEU H 4.000 . 5.000 3.459 2.210 4.545 . 0 0 "[ . 1 . 2]" 1
504 1 43 GLU H 1 44 LEU H 3.000 . 3.500 2.946 1.871 4.007 0.507 1 1 "[+ . 1 . 2]" 1
505 1 44 LEU HA 1 45 GLY H 3.500 . 4.000 2.993 2.156 3.597 . 0 0 "[ . 1 . 2]" 1
506 1 44 LEU HB2 1 45 GLY H 5.000 . 6.000 3.044 1.946 4.395 . 0 0 "[ . 1 . 2]" 1
507 1 44 LEU HB3 1 45 GLY H 5.000 . 6.000 3.289 1.830 4.537 . 0 0 "[ . 1 . 2]" 1
508 1 46 ASP HA 1 47 THR H 3.000 . 3.500 2.998 2.272 3.552 0.052 12 0 "[ . 1 . 2]" 1
509 1 47 THR MG 1 48 GLU HB3 4.500 . 5.500 5.449 4.341 6.048 0.548 4 1 "[ +. 1 . 2]" 1
510 1 47 THR MG 1 48 GLU H 4.500 . 5.500 3.683 2.530 4.261 . 0 0 "[ . 1 . 2]" 1
511 1 47 THR H 1 48 GLU H 3.000 . 3.500 2.728 1.802 3.577 0.077 2 0 "[ . 1 . 2]" 1
512 1 48 GLU HB2 1 49 THR H 4.000 . 5.000 3.945 2.973 4.351 . 0 0 "[ . 1 . 2]" 1
513 1 48 GLU HB3 1 49 THR H 4.000 . 5.000 3.271 2.624 4.549 . 0 0 "[ . 1 . 2]" 1
514 1 48 GLU H 1 49 THR H 3.000 . 3.500 2.639 1.869 3.370 . 0 0 "[ . 1 . 2]" 1
515 1 49 THR HA 1 50 MET H 3.000 . 3.500 3.317 2.194 3.507 0.007 14 0 "[ . 1 . 2]" 1
516 1 49 THR MG 1 50 MET H 4.500 . 5.500 3.836 2.370 4.352 . 0 0 "[ . 1 . 2]" 1
517 1 50 MET ME 1 51 ARG HA 4.500 . 5.500 5.191 3.815 5.610 0.110 9 0 "[ . 1 . 2]" 1
518 1 51 ARG HA 1 52 THR H 2.500 . 3.000 2.556 2.112 3.435 0.435 11 0 "[ . 1 . 2]" 1
519 1 51 ARG HB2 1 52 THR HA 5.000 . 6.000 5.234 4.224 6.057 0.057 3 0 "[ . 1 . 2]" 1
520 1 51 ARG HB2 1 52 THR H 5.000 . 6.000 3.547 2.356 4.482 . 0 0 "[ . 1 . 2]" 1
521 1 51 ARG HB3 1 52 THR H 5.000 . 6.000 3.318 1.689 4.363 0.111 18 0 "[ . 1 . 2]" 1
522 1 52 THR HA 1 53 PRO HD2 3.000 . 3.500 2.549 1.812 3.466 . 0 0 "[ . 1 . 2]" 1
523 1 52 THR HA 1 53 PRO HD3 3.000 . 3.500 2.273 1.836 2.809 . 0 0 "[ . 1 . 2]" 1
524 1 52 THR HA 1 53 PRO HG2 5.000 . 6.000 4.466 3.956 4.863 . 0 0 "[ . 1 . 2]" 1
525 1 52 THR HA 1 53 PRO HG3 5.000 . 6.000 4.312 3.957 4.821 . 0 0 "[ . 1 . 2]" 1
526 1 52 THR HB 1 53 PRO HD2 3.500 . 4.000 3.073 1.764 4.488 0.488 3 0 "[ . 1 . 2]" 1
527 1 52 THR HB 1 53 PRO HD3 4.000 . 5.000 3.884 2.113 5.058 0.058 6 0 "[ . 1 . 2]" 1
528 1 52 THR HB 1 53 PRO HG2 5.000 . 6.000 4.984 3.534 6.254 0.254 20 0 "[ . 1 . 2]" 1
529 1 52 THR MG 1 53 PRO HD2 4.000 . 5.000 3.013 1.975 3.834 . 0 0 "[ . 1 . 2]" 1
530 1 52 THR MG 1 53 PRO HD3 5.500 . 6.500 3.566 2.590 4.554 . 0 0 "[ . 1 . 2]" 1
531 1 52 THR H 1 53 PRO HD3 5.000 . 6.000 4.236 2.778 5.124 . 0 0 "[ . 1 . 2]" 1
532 1 53 PRO HA 1 54 GLY H 2.500 . 3.000 2.815 2.139 3.385 0.385 16 0 "[ . 1 . 2]" 1
533 1 53 PRO HB2 1 54 GLY H 4.000 . 5.000 3.715 1.783 4.381 0.017 15 0 "[ . 1 . 2]" 1
534 1 53 PRO HB3 1 54 GLY H 5.000 . 6.000 4.254 3.147 4.723 . 0 0 "[ . 1 . 2]" 1
535 1 54 GLY HA2 1 55 TYR H 3.500 . 4.000 3.039 2.119 3.604 . 0 0 "[ . 1 . 2]" 1
536 1 54 GLY HA3 1 55 TYR H 3.500 . 4.000 3.154 2.168 3.596 . 0 0 "[ . 1 . 2]" 1
537 1 54 GLY H 1 55 TYR H 3.000 . 3.500 2.735 2.040 3.976 0.476 10 0 "[ . 1 . 2]" 1
538 1 55 TYR HA 1 56 PHE H 3.000 . 3.500 2.364 2.049 3.517 0.017 19 0 "[ . 1 . 2]" 1
539 1 55 TYR QD 1 56 PHE H 5.000 . 6.000 3.917 2.740 4.827 . 0 0 "[ . 1 . 2]" 1
540 1 55 TYR H 1 56 PHE H 3.500 . 4.000 3.999 2.352 4.407 0.407 11 0 "[ . 1 . 2]" 1
541 1 56 PHE HB3 1 57 PHE HA 5.000 . 6.000 4.754 3.958 5.278 . 0 0 "[ . 1 . 2]" 1
542 1 56 PHE HB3 1 57 PHE HD1 5.000 . 6.000 3.953 2.693 4.822 . 0 0 "[ . 1 . 2]" 1
543 1 56 PHE HB3 1 57 PHE HE1 4.000 . 5.000 4.913 3.641 5.452 0.452 6 0 "[ . 1 . 2]" 1
544 1 57 PHE HA 1 58 GLN H 3.000 . 3.500 2.824 2.132 3.561 0.061 16 0 "[ . 1 . 2]" 1
545 1 57 PHE HB3 1 58 GLN H 3.500 . 4.000 4.057 3.509 4.652 0.652 11 1 "[ . 1+ . 2]" 1
546 1 58 GLN HA 1 59 GLN H 3.000 . 3.500 2.381 2.096 3.534 0.034 11 0 "[ . 1 . 2]" 1
547 1 59 GLN HA 1 60 ALA MB 5.500 . 6.500 4.192 3.849 4.633 . 0 0 "[ . 1 . 2]" 1
548 1 59 GLN HA 1 60 ALA H 2.500 . 3.000 2.705 2.116 3.462 0.462 18 0 "[ . 1 . 2]" 1
549 1 59 GLN HB2 1 60 ALA H 4.000 . 5.000 3.975 2.483 4.612 . 0 0 "[ . 1 . 2]" 1
550 1 59 GLN HB3 1 60 ALA H 5.000 . 6.000 3.700 1.871 4.460 . 0 0 "[ . 1 . 2]" 1
551 1 59 GLN H 1 60 ALA H 3.500 . 4.000 3.416 2.440 4.481 0.481 19 0 "[ . 1 . 2]" 1
552 1 60 ALA HA 1 61 PRO HD2 2.500 . 3.000 2.408 1.998 2.972 . 0 0 "[ . 1 . 2]" 1
553 1 60 ALA HA 1 61 PRO HD3 2.500 . 3.000 2.305 1.931 2.674 . 0 0 "[ . 1 . 2]" 1
554 1 60 ALA MB 1 61 PRO HD2 3.500 . 4.000 2.698 1.805 3.922 . 0 0 "[ . 1 . 2]" 1
555 1 60 ALA MB 1 61 PRO HD3 3.500 . 4.000 3.522 2.969 4.126 0.126 4 0 "[ . 1 . 2]" 1
556 1 61 PRO HA 1 62 ASN H 3.000 . 3.500 3.153 2.154 3.569 0.069 13 0 "[ . 1 . 2]" 1
557 1 61 PRO HB2 1 62 ASN H 4.000 . 5.000 3.374 2.336 4.147 . 0 0 "[ . 1 . 2]" 1
558 1 61 PRO HB3 1 62 ASN H 4.000 2.800 5.000 4.125 3.329 4.550 . 0 0 "[ . 1 . 2]" 1
559 1 61 PRO HD3 1 62 ASN H 5.000 . 6.000 4.370 3.850 5.725 . 0 0 "[ . 1 . 2]" 1
560 1 62 ASN HA 1 63 ARG H 3.000 . 3.500 2.987 2.194 3.569 0.069 19 0 "[ . 1 . 2]" 1
561 1 62 ASN H 1 63 ARG H 3.000 . 3.500 2.792 2.386 3.707 0.207 8 0 "[ . 1 . 2]" 1
562 1 63 ARG HA 1 64 ARG H 2.500 . 3.000 2.503 2.133 3.316 0.316 9 0 "[ . 1 . 2]" 1
563 1 63 ARG H 1 64 ARG H 5.000 . 6.000 4.221 2.327 4.572 . 0 0 "[ . 1 . 2]" 1
564 1 64 ARG HA 1 65 ARG H 2.500 . 3.000 2.452 2.116 3.456 0.456 2 0 "[ . 1 . 2]" 1
565 1 65 ARG HA 1 66 ILE MG 5.500 . 6.500 4.516 3.382 5.126 . 0 0 "[ . 1 . 2]" 1
566 1 65 ARG HA 1 66 ILE H 3.000 . 3.500 3.140 2.153 3.549 0.049 4 0 "[ . 1 . 2]" 1
567 1 65 ARG HG3 1 66 ILE MG 4.500 . 5.500 5.208 3.650 5.775 0.275 19 0 "[ . 1 . 2]" 1
568 1 65 ARG HG3 1 66 ILE H 5.000 . 6.000 4.257 2.658 4.841 . 0 0 "[ . 1 . 2]" 1
569 1 66 ILE HB 1 67 SER H 3.500 . 4.000 3.863 2.035 4.168 0.168 20 0 "[ . 1 . 2]" 1
570 1 66 ILE MD 1 67 SER H 5.500 . 6.500 4.151 3.412 4.681 . 0 0 "[ . 1 . 2]" 1
571 1 66 ILE HG12 1 67 SER HA 4.000 . 5.000 4.544 3.903 5.212 0.212 11 0 "[ . 1 . 2]" 1
572 1 66 ILE HG12 1 67 SER H 3.000 . 3.500 3.050 2.294 3.540 0.040 16 0 "[ . 1 . 2]" 1
573 1 66 ILE HG13 1 67 SER HA 4.000 . 5.000 4.920 4.093 5.538 0.538 16 1 "[ . 1 .+ 2]" 1
574 1 66 ILE H 1 67 SER H 5.000 . 6.000 3.759 1.837 4.674 . 0 0 "[ . 1 . 2]" 1
575 1 67 SER HA 1 68 ARG H 3.000 . 3.500 3.201 2.521 3.550 0.050 14 0 "[ . 1 . 2]" 1
576 1 67 SER HB3 1 68 ARG HA 4.000 . 5.000 4.673 4.165 4.962 . 0 0 "[ . 1 . 2]" 1
577 1 67 SER HB3 1 68 ARG H 3.500 . 4.000 3.696 2.478 4.375 0.375 13 0 "[ . 1 . 2]" 1
578 1 67 SER H 1 68 ARG H 5.000 . 6.000 2.651 2.033 3.401 . 0 0 "[ . 1 . 2]" 1
579 1 68 ARG HA 1 69 GLU H 3.500 . 4.000 2.296 2.156 2.422 . 0 0 "[ . 1 . 2]" 1
580 1 68 ARG HB3 1 69 GLU H 3.500 . 4.000 3.185 2.460 4.023 0.023 7 0 "[ . 1 . 2]" 1
581 1 68 ARG HG2 1 69 GLU H 5.000 . 6.000 4.105 2.110 5.229 . 0 0 "[ . 1 . 2]" 1
582 1 69 GLU HA 1 70 HIS H 2.500 . 3.000 2.199 2.067 2.399 . 0 0 "[ . 1 . 2]" 1
583 1 69 GLU HB2 1 70 HIS H 5.000 . 6.000 3.487 2.384 4.385 . 0 0 "[ . 1 . 2]" 1
584 1 69 GLU HB3 1 70 HIS H 4.000 . 5.000 3.985 3.238 4.319 . 0 0 "[ . 1 . 2]" 1
585 1 69 GLU HG2 1 70 HIS H 4.000 . 5.000 4.179 2.696 5.090 0.090 1 0 "[ . 1 . 2]" 1
586 1 70 HIS HA 1 71 GLY H 3.500 . 4.000 2.339 2.142 2.611 . 0 0 "[ . 1 . 2]" 1
587 1 70 HIS HB2 1 71 GLY H 4.000 . 5.000 2.767 2.045 4.220 . 0 0 "[ . 1 . 2]" 1
588 1 70 HIS HB3 1 71 GLY H 4.000 . 5.000 3.839 2.854 4.325 . 0 0 "[ . 1 . 2]" 1
589 1 71 GLY HA2 1 72 ARG H 4.000 . 5.000 3.091 2.136 3.562 . 0 0 "[ . 1 . 2]" 1
590 1 71 GLY HA3 1 72 ARG H 3.500 . 4.000 2.323 2.107 3.095 . 0 0 "[ . 1 . 2]" 1
591 1 72 ARG HA 1 73 THR HB 5.000 . 6.000 6.298 5.817 6.455 0.455 4 0 "[ . 1 . 2]" 1
592 1 72 ARG HA 1 73 THR MG 4.000 . 5.000 4.206 3.711 4.791 . 0 0 "[ . 1 . 2]" 1
593 1 72 ARG HB2 1 73 THR HA 5.000 . 6.000 4.861 4.424 5.747 . 0 0 "[ . 1 . 2]" 1
594 1 72 ARG HB2 1 73 THR MG 3.500 . 4.000 3.546 2.706 4.183 0.183 10 0 "[ . 1 . 2]" 1
595 1 72 ARG HB2 1 73 THR H 5.000 . 6.000 2.783 1.815 3.911 . 0 0 "[ . 1 . 2]" 1
596 1 72 ARG HB3 1 73 THR MG 4.000 . 5.000 3.169 2.599 4.693 . 0 0 "[ . 1 . 2]" 1
597 1 72 ARG HB3 1 73 THR H 5.000 . 6.000 3.060 1.787 4.180 0.013 7 0 "[ . 1 . 2]" 1
598 1 72 ARG H 1 73 THR H 4.000 . 5.000 2.850 1.990 4.499 . 0 0 "[ . 1 . 2]" 1
599 1 73 THR HA 1 74 TRP H 3.500 . 4.000 3.154 2.894 3.356 . 0 0 "[ . 1 . 2]" 1
600 1 73 THR MG 1 74 TRP H 5.500 . 6.500 4.310 4.167 4.425 . 0 0 "[ . 1 . 2]" 1
601 1 73 THR H 1 74 TRP HD1 5.000 . 6.000 3.114 2.417 5.096 . 0 0 "[ . 1 . 2]" 1
602 1 73 THR H 1 74 TRP H 3.000 . 3.500 2.335 1.925 3.232 . 0 0 "[ . 1 . 2]" 1
603 1 74 TRP HA 1 75 THR MG 5.500 . 6.500 4.888 3.798 5.441 . 0 0 "[ . 1 . 2]" 1
604 1 74 TRP HA 1 75 THR H 3.500 . 4.000 2.209 2.134 2.290 . 0 0 "[ . 1 . 2]" 1
605 1 74 TRP HE3 1 75 THR HA 5.000 . 6.000 3.264 2.680 3.809 . 0 0 "[ . 1 . 2]" 1
606 1 74 TRP HE3 1 75 THR H 4.000 . 5.000 3.679 3.261 4.186 . 0 0 "[ . 1 . 2]" 1
607 1 75 THR HA 1 76 LYS H 3.500 . 4.000 2.200 2.142 2.278 . 0 0 "[ . 1 . 2]" 1
608 1 76 LYS HA 1 77 LEU H 3.000 . 3.500 2.149 2.112 2.221 . 0 0 "[ . 1 . 2]" 1
609 1 77 LEU HB3 1 78 THR H 5.000 . 6.000 3.528 3.133 4.108 . 0 0 "[ . 1 . 2]" 1
610 1 77 LEU MD2 1 78 THR H 4.500 . 5.500 3.704 2.308 5.036 . 0 0 "[ . 1 . 2]" 1
611 1 78 THR HA 1 79 TYR H 3.000 . 3.500 2.179 2.145 2.225 . 0 0 "[ . 1 . 2]" 1
612 1 78 THR MG 1 79 TYR HA 5.500 . 6.500 4.093 3.883 4.378 . 0 0 "[ . 1 . 2]" 1
613 1 78 THR MG 1 79 TYR H 4.000 . 5.000 3.078 2.751 3.423 . 0 0 "[ . 1 . 2]" 1
614 1 79 TYR HA 1 80 ALA H 3.500 . 4.000 3.366 3.197 3.519 . 0 0 "[ . 1 . 2]" 1
615 1 79 TYR HB3 1 80 ALA MB 5.500 . 6.500 4.647 4.325 4.863 . 0 0 "[ . 1 . 2]" 1
616 1 79 TYR HD2 1 80 ALA H 5.000 . 6.000 4.735 4.090 5.967 . 0 0 "[ . 1 . 2]" 1
617 1 80 ALA HA 1 81 ASN H 5.000 . 6.000 3.416 3.096 3.569 . 0 0 "[ . 1 . 2]" 1
618 1 80 ALA MB 1 81 ASN HA 5.500 . 6.500 4.038 3.828 4.340 . 0 0 "[ . 1 . 2]" 1
619 1 80 ALA MB 1 81 ASN HD21 4.500 . 5.500 3.967 2.805 5.603 0.103 1 0 "[ . 1 . 2]" 1
620 1 80 ALA MB 1 81 ASN HD22 5.500 . 6.500 4.154 3.240 5.422 . 0 0 "[ . 1 . 2]" 1
621 1 80 ALA MB 1 81 ASN H 4.000 . 5.000 2.797 2.193 3.514 . 0 0 "[ . 1 . 2]" 1
622 1 80 ALA H 1 81 ASN H 3.500 . 4.000 3.183 2.601 3.709 . 0 0 "[ . 1 . 2]" 1
623 1 81 ASN HA 1 82 HIS H 3.000 . 3.500 2.184 2.112 2.404 . 0 0 "[ . 1 . 2]" 1
624 1 81 ASN HB2 1 82 HIS H 3.500 . 4.000 3.820 2.448 4.133 0.133 12 0 "[ . 1 . 2]" 1
625 1 81 ASN HD22 1 82 HIS H 5.000 . 6.000 5.701 5.015 6.200 0.200 4 0 "[ . 1 . 2]" 1
626 1 82 HIS HA 1 83 SER H 5.000 . 6.000 3.453 3.333 3.532 . 0 0 "[ . 1 . 2]" 1
627 1 82 HIS HB3 1 83 SER H 3.500 . 4.000 3.418 2.736 4.186 0.186 12 0 "[ . 1 . 2]" 1
628 1 82 HIS H 1 83 SER H 3.500 . 4.000 2.460 2.187 2.654 . 0 0 "[ . 1 . 2]" 1
629 1 83 SER HA 1 84 SER H 5.000 . 6.000 3.555 3.521 3.580 . 0 0 "[ . 1 . 2]" 1
630 1 83 SER H 1 84 SER H 3.000 . 3.500 2.761 2.660 2.944 . 0 0 "[ . 1 . 2]" 1
631 1 84 SER HA 1 85 TYR H 4.000 . 5.000 3.428 3.343 3.492 . 0 0 "[ . 1 . 2]" 1
632 1 84 SER HB2 1 85 TYR H 5.000 . 6.000 3.478 2.654 4.233 . 0 0 "[ . 1 . 2]" 1
633 1 84 SER HB3 1 85 TYR H 4.000 . 5.000 3.970 3.019 4.392 . 0 0 "[ . 1 . 2]" 1
634 1 84 SER H 1 85 TYR H 3.000 . 3.500 2.451 2.239 2.564 . 0 0 "[ . 1 . 2]" 1
635 1 85 TYR HA 1 86 LEU H 5.000 . 6.000 3.561 3.537 3.584 . 0 0 "[ . 1 . 2]" 1
636 1 85 TYR HB2 1 86 LEU H 4.000 . 5.000 3.877 3.730 4.022 . 0 0 "[ . 1 . 2]" 1
637 1 85 TYR HB3 1 86 LEU H 4.000 . 5.000 2.499 2.335 2.736 . 0 0 "[ . 1 . 2]" 1
638 1 85 TYR QD 1 86 LEU HA 6.000 . 7.000 3.207 2.903 3.541 . 0 0 "[ . 1 . 2]" 1
639 1 85 TYR QD 1 86 LEU QD 4.000 . 5.000 2.679 1.867 3.731 . 0 0 "[ . 1 . 2]" 1
640 1 85 TYR QD 1 86 LEU HG 5.000 . 6.000 4.736 2.964 5.665 . 0 0 "[ . 1 . 2]" 1
641 1 85 TYR QE 1 86 LEU HA 6.000 . 7.000 4.264 3.856 4.818 . 0 0 "[ . 1 . 2]" 1
642 1 85 TYR QE 1 86 LEU QD 3.500 . 4.000 3.460 2.748 3.826 . 0 0 "[ . 1 . 2]" 1
643 1 85 TYR H 1 86 LEU H 3.500 . 4.000 2.789 2.733 2.855 . 0 0 "[ . 1 . 2]" 1
644 1 86 LEU HA 1 87 ARG H 5.000 . 6.000 3.506 3.463 3.553 . 0 0 "[ . 1 . 2]" 1
645 1 86 LEU HB2 1 87 ARG H 4.000 . 5.000 3.261 2.604 4.058 . 0 0 "[ . 1 . 2]" 1
646 1 86 LEU HB3 1 87 ARG H 3.000 . 3.500 3.142 2.563 3.531 0.031 8 0 "[ . 1 . 2]" 1
647 1 86 LEU QD 1 87 ARG H 5.500 . 6.500 3.869 3.643 4.145 . 0 0 "[ . 1 . 2]" 1
648 1 86 LEU HG 1 87 ARG H 4.000 . 5.000 4.544 3.763 5.115 0.115 8 0 "[ . 1 . 2]" 1
649 1 86 LEU H 1 87 ARG H 3.500 . 4.000 2.626 2.539 2.750 . 0 0 "[ . 1 . 2]" 1
650 1 87 ARG HA 1 88 ALA H 4.000 . 5.000 3.481 3.335 3.548 . 0 0 "[ . 1 . 2]" 1
651 1 87 ARG HB2 1 88 ALA H 3.500 . 4.000 3.357 2.663 4.090 0.090 20 0 "[ . 1 . 2]" 1
652 1 87 ARG H 1 88 ALA MB 4.500 . 5.500 4.319 4.018 4.487 . 0 0 "[ . 1 . 2]" 1
653 1 87 ARG H 1 88 ALA H 3.500 . 4.000 2.630 2.446 2.755 . 0 0 "[ . 1 . 2]" 1
654 1 88 ALA MB 1 89 LEU MD1 6.000 . 7.000 4.497 2.543 4.966 . 0 0 "[ . 1 . 2]" 1
655 1 88 ALA H 1 89 LEU H 3.500 . 4.000 2.494 2.291 2.643 . 0 0 "[ . 1 . 2]" 1
656 1 89 LEU HA 1 90 ARG H 5.000 . 6.000 3.348 3.234 3.565 . 0 0 "[ . 1 . 2]" 1
657 1 89 LEU HB2 1 90 ARG H 4.000 . 5.000 3.854 3.482 4.307 . 0 0 "[ . 1 . 2]" 1
658 1 89 LEU HB3 1 90 ARG H 5.000 . 6.000 3.530 2.384 4.220 . 0 0 "[ . 1 . 2]" 1
659 1 89 LEU H 1 90 ARG H 3.500 . 4.000 2.649 2.452 2.820 . 0 0 "[ . 1 . 2]" 1
660 1 90 ARG H 1 91 GLU H 4.000 . 5.000 4.285 2.933 4.610 . 0 0 "[ . 1 . 2]" 1
661 1 91 GLU HA 1 92 HIS H 3.500 . 4.000 2.940 2.121 3.491 . 0 0 "[ . 1 . 2]" 1
662 1 91 GLU H 1 92 HIS H 3.500 . 4.000 2.679 1.784 4.122 0.122 18 0 "[ . 1 . 2]" 1
663 1 93 GLY HA2 1 94 THR H 3.000 . 3.500 2.941 2.462 3.513 0.013 17 0 "[ . 1 . 2]" 1
664 1 94 THR HA 1 95 ILE MD 4.500 . 5.500 5.355 5.098 5.669 0.169 3 0 "[ . 1 . 2]" 1
665 1 94 THR HA 1 95 ILE H 3.000 . 3.500 2.241 2.140 2.748 . 0 0 "[ . 1 . 2]" 1
666 1 94 THR HB 1 95 ILE H 4.000 . 5.000 4.370 3.466 4.466 . 0 0 "[ . 1 . 2]" 1
667 1 94 THR MG 1 95 ILE H 4.000 . 5.000 3.386 2.340 3.673 . 0 0 "[ . 1 . 2]" 1
668 1 95 ILE HA 1 96 TYR H 3.500 . 4.000 2.120 2.077 2.149 . 0 0 "[ . 1 . 2]" 1
669 1 95 ILE MG 1 96 TYR H 4.500 . 5.500 2.786 2.634 3.221 . 0 0 "[ . 1 . 2]" 1
670 1 96 TYR HA 1 97 CYS HA 4.000 . 5.000 4.383 4.316 4.412 . 0 0 "[ . 1 . 2]" 1
671 1 96 TYR HA 1 97 CYS H 3.000 . 3.500 2.174 2.106 2.206 . 0 0 "[ . 1 . 2]" 1
672 1 96 TYR HB2 1 97 CYS H 5.000 . 6.000 4.334 4.168 4.427 . 0 0 "[ . 1 . 2]" 1
673 1 96 TYR QD 1 97 CYS HB2 5.000 . 6.000 2.630 2.028 3.331 . 0 0 "[ . 1 . 2]" 1
674 1 96 TYR QD 1 97 CYS HB3 5.000 . 6.000 3.596 2.903 4.584 . 0 0 "[ . 1 . 2]" 1
675 1 96 TYR QD 1 97 CYS H 5.000 . 6.000 3.355 2.898 3.695 . 0 0 "[ . 1 . 2]" 1
676 1 96 TYR QE 1 97 CYS HB2 4.000 . 5.000 3.860 3.096 5.034 0.034 5 0 "[ . 1 . 2]" 1
677 1 96 TYR QE 1 97 CYS HB3 5.000 . 6.000 5.173 4.498 5.660 . 0 0 "[ . 1 . 2]" 1
678 1 97 CYS HA 1 98 GLY H 3.500 . 4.000 3.157 2.974 3.562 . 0 0 "[ . 1 . 2]" 1
679 1 97 CYS H 1 98 GLY H 3.500 . 4.000 2.751 2.480 3.545 . 0 0 "[ . 1 . 2]" 1
680 1 98 GLY HA3 1 99 ALA H 4.000 . 5.000 3.232 2.904 3.440 . 0 0 "[ . 1 . 2]" 1
681 1 98 GLY H 1 99 ALA H 3.500 . 4.000 2.337 1.746 2.554 0.054 17 0 "[ . 1 . 2]" 1
682 1 99 ALA HA 1 100 ALA MB 4.000 . 5.000 4.033 3.945 4.093 . 0 0 "[ . 1 . 2]" 1
683 1 99 ALA HA 1 100 ALA H 2.500 . 3.000 2.283 2.211 2.377 . 0 0 "[ . 1 . 2]" 1
684 1 99 ALA MB 1 100 ALA H 3.500 . 4.000 2.619 2.445 2.898 . 0 0 "[ . 1 . 2]" 1
685 1 99 ALA H 1 100 ALA H 5.000 . 6.000 4.410 4.353 4.498 . 0 0 "[ . 1 . 2]" 1
686 1 100 ALA HA 1 101 ILE H 3.500 . 4.000 2.166 2.114 2.278 . 0 0 "[ . 1 . 2]" 1
687 1 100 ALA MB 1 101 ILE HA 5.500 . 6.500 4.251 4.147 4.313 . 0 0 "[ . 1 . 2]" 1
688 1 100 ALA MB 1 101 ILE H 4.000 . 5.000 2.963 2.595 3.344 . 0 0 "[ . 1 . 2]" 1
689 1 101 ILE HA 1 102 GLY H 3.000 . 3.500 2.201 2.100 2.441 . 0 0 "[ . 1 . 2]" 1
690 1 101 ILE HB 1 102 GLY H 3.500 . 4.000 3.113 2.365 4.142 0.142 13 0 "[ . 1 . 2]" 1
691 1 101 ILE MG 1 102 GLY H 4.500 . 5.500 3.640 2.620 3.933 . 0 0 "[ . 1 . 2]" 1
692 1 103 CYS HA 1 104 VAL H 3.000 . 3.500 2.145 2.110 2.191 . 0 0 "[ . 1 . 2]" 1
693 1 104 VAL HA 1 105 PRO HD2 4.000 . 5.000 2.738 2.319 3.123 . 0 0 "[ . 1 . 2]" 1
694 1 104 VAL HA 1 105 PRO HD3 3.500 . 4.000 2.278 1.943 2.633 . 0 0 "[ . 1 . 2]" 1
695 1 104 VAL HB 1 105 PRO HD2 4.000 . 5.000 2.018 1.858 2.175 . 0 0 "[ . 1 . 2]" 1
696 1 104 VAL HB 1 105 PRO HD3 5.000 . 6.000 3.127 2.711 3.542 . 0 0 "[ . 1 . 2]" 1
697 1 104 VAL QG 1 105 PRO HD2 4.500 . 5.500 2.983 2.735 3.152 . 0 0 "[ . 1 . 2]" 1
698 1 104 VAL QG 1 105 PRO HD3 4.500 . 5.500 3.457 3.119 3.802 . 0 0 "[ . 1 . 2]" 1
699 1 105 PRO HA 1 106 TYR H 3.000 . 3.500 2.295 2.223 2.774 . 0 0 "[ . 1 . 2]" 1
700 1 105 PRO HB2 1 106 TYR H 6.000 . 7.000 3.326 2.873 4.334 . 0 0 "[ . 1 . 2]" 1
701 1 106 TYR HA 1 107 LYS H 3.500 . 4.000 2.193 2.071 3.594 . 0 0 "[ . 1 . 2]" 1
702 1 106 TYR QD 1 107 LYS HA 5.000 . 6.000 4.004 3.493 4.431 . 0 0 "[ . 1 . 2]" 1
703 1 106 TYR QD 1 107 LYS H 5.000 . 6.000 3.765 2.826 4.216 . 0 0 "[ . 1 . 2]" 1
704 1 107 LYS HA 1 108 HIS H 3.000 . 3.500 2.176 2.114 2.302 . 0 0 "[ . 1 . 2]" 1
705 1 107 LYS HB2 1 108 HIS H 4.000 . 5.000 4.184 3.908 4.369 . 0 0 "[ . 1 . 2]" 1
706 1 108 HIS HB2 1 109 GLU H 4.000 . 5.000 3.555 2.380 3.985 . 0 0 "[ . 1 . 2]" 1
707 1 108 HIS HB3 1 109 GLU H 3.500 . 4.000 3.190 2.500 4.080 0.080 16 0 "[ . 1 . 2]" 1
708 1 108 HIS H 1 109 GLU H 4.000 . 5.000 2.664 2.568 2.822 . 0 0 "[ . 1 . 2]" 1
709 1 109 GLU H 1 110 LEU H 3.500 . 4.000 2.602 2.536 2.674 . 0 0 "[ . 1 . 2]" 1
710 1 110 LEU H 1 111 ILE H 3.000 . 3.500 2.674 2.606 2.775 . 0 0 "[ . 1 . 2]" 1
711 1 111 ILE HA 1 112 SER H 4.000 . 5.000 3.538 3.504 3.568 . 0 0 "[ . 1 . 2]" 1
712 1 111 ILE HB 1 112 SER H 3.000 . 3.500 2.567 2.455 2.830 . 0 0 "[ . 1 . 2]" 1
713 1 111 ILE HG12 1 112 SER H 5.000 . 6.000 4.188 4.029 5.195 . 0 0 "[ . 1 . 2]" 1
714 1 111 ILE HG13 1 112 SER H 5.000 . 6.000 4.879 4.779 5.056 . 0 0 "[ . 1 . 2]" 1
715 1 111 ILE MG 1 112 SER HA 4.000 . 5.000 3.466 3.129 3.620 . 0 0 "[ . 1 . 2]" 1
716 1 111 ILE MG 1 112 SER H 4.000 . 5.000 3.422 3.066 3.592 . 0 0 "[ . 1 . 2]" 1
717 1 111 ILE H 1 112 SER H 3.000 . 3.500 2.678 2.605 2.777 . 0 0 "[ . 1 . 2]" 1
718 1 112 SER HB2 1 113 GLU H 3.000 . 3.500 2.948 2.501 3.712 0.212 16 0 "[ . 1 . 2]" 1
719 1 112 SER H 1 113 GLU H 3.000 . 3.500 2.746 2.691 2.828 . 0 0 "[ . 1 . 2]" 1
720 1 113 GLU H 1 114 LEU H 3.000 . 3.500 2.709 2.600 2.844 . 0 0 "[ . 1 . 2]" 1
721 1 114 LEU HA 1 115 SER H 4.000 . 5.000 3.516 3.338 3.580 . 0 0 "[ . 1 . 2]" 1
722 1 114 LEU HB2 1 115 SER H 4.000 . 5.000 2.814 2.562 4.102 . 0 0 "[ . 1 . 2]" 1
723 1 114 LEU HB3 1 115 SER H 3.500 . 4.000 3.613 3.432 4.310 0.310 10 0 "[ . 1 . 2]" 1
724 1 114 LEU H 1 115 SER H 3.000 . 3.500 2.673 2.373 2.791 . 0 0 "[ . 1 . 2]" 1
725 1 115 SER HA 1 116 ARG H 3.500 . 4.000 3.461 3.221 3.571 . 0 0 "[ . 1 . 2]" 1
726 1 115 SER H 1 116 ARG H 3.000 . 3.500 2.630 2.472 2.770 . 0 0 "[ . 1 . 2]" 1
727 1 116 ARG HG3 1 117 GLU H 5.000 . 6.000 4.218 3.051 5.136 . 0 0 "[ . 1 . 2]" 1
728 1 116 ARG H 1 117 GLU H 3.000 . 3.500 2.588 2.382 2.774 . 0 0 "[ . 1 . 2]" 1
729 1 117 GLU HA 1 118 GLY H 2.500 . 3.000 2.798 2.175 3.459 0.459 5 0 "[ . 1 . 2]" 1
730 1 117 GLU HB2 1 118 GLY H 4.000 . 5.000 4.211 3.418 4.637 . 0 0 "[ . 1 . 2]" 1
731 1 117 GLU HB3 1 118 GLY H 4.000 . 5.000 4.042 1.911 4.617 . 0 0 "[ . 1 . 2]" 1
732 1 117 GLU H 1 118 GLY H 3.000 . 3.500 2.837 1.936 3.934 0.434 15 0 "[ . 1 . 2]" 1
733 1 118 GLY H 1 119 HIS H 3.500 . 4.000 3.039 2.016 4.145 0.145 7 0 "[ . 1 . 2]" 1
734 1 119 HIS HB2 1 120 HIS H 5.000 . 6.000 4.052 2.685 4.555 . 0 0 "[ . 1 . 2]" 1
735 1 119 HIS HB3 1 120 HIS H 4.000 . 5.000 3.718 2.284 4.471 . 0 0 "[ . 1 . 2]" 1
736 1 123 HIS HA 1 124 HIS H 3.500 . 4.000 2.810 2.103 3.559 . 0 0 "[ . 1 . 2]" 1
737 1 61 PRO QG 1 62 ASN H 4.000 . 5.000 3.586 2.263 4.755 . 0 0 "[ . 1 . 2]" 1
738 1 60 ALA HA 1 61 PRO QG 4.000 . 5.000 3.942 3.781 4.186 . 0 0 "[ . 1 . 2]" 1
739 1 108 HIS HB3 1 109 GLU QB 5.000 . 6.000 4.580 3.878 5.623 . 0 0 "[ . 1 . 2]" 1
740 1 8 GLU QG 1 9 THR H 5.000 . 6.000 4.164 2.867 4.762 . 0 0 "[ . 1 . 2]" 1
741 1 25 GLN QB 1 26 ILE H 3.500 . 4.000 2.167 2.028 2.483 . 0 0 "[ . 1 . 2]" 1
742 1 62 ASN QB 1 63 ARG HA 4.000 . 5.000 4.467 4.169 4.774 . 0 0 "[ . 1 . 2]" 1
743 1 110 LEU QB 1 111 ILE H 3.500 . 4.000 2.498 2.356 2.634 . 0 0 "[ . 1 . 2]" 1
744 1 43 GLU QG 1 44 LEU H 4.000 . 5.000 3.666 2.224 4.591 . 0 0 "[ . 1 . 2]" 1
745 1 48 GLU QB 1 49 THR MG 5.500 . 6.500 3.771 3.021 5.685 . 0 0 "[ . 1 . 2]" 1
746 1 41 GLU QG 1 42 SER H 4.000 . 5.000 3.651 2.262 4.360 . 0 0 "[ . 1 . 2]" 1
747 1 42 SER QB 1 43 GLU H 4.000 . 5.000 3.576 2.115 4.016 . 0 0 "[ . 1 . 2]" 1
748 1 111 ILE MG 1 112 SER QB 4.500 . 5.500 4.599 3.954 4.871 . 0 0 "[ . 1 . 2]" 1
749 1 9 THR H 1 10 GLY QA 4.000 . 5.000 4.499 4.184 4.872 . 0 0 "[ . 1 . 2]" 1
750 1 45 GLY QA 1 46 ASP H 2.500 . 3.000 2.463 2.096 2.912 . 0 0 "[ . 1 . 2]" 1
751 1 32 GLN QG 1 33 PHE H 4.000 . 5.000 4.112 3.791 4.724 . 0 0 "[ . 1 . 2]" 1
752 1 23 THR HB 1 24 LYS QE 4.000 . 5.000 4.037 2.970 5.105 0.105 5 0 "[ . 1 . 2]" 1
753 1 74 TRP QB 1 75 THR H 3.500 . 4.000 2.856 2.712 3.089 . 0 0 "[ . 1 . 2]" 1
754 1 36 ILE HA 1 37 LEU QB 5.000 . 6.000 4.993 4.326 5.493 . 0 0 "[ . 1 . 2]" 1
755 1 46 ASP QB 1 47 THR MG 5.500 . 6.500 4.270 2.910 5.163 . 0 0 "[ . 1 . 2]" 1
756 1 118 GLY QA 1 119 HIS H 3.000 . 3.500 2.571 2.078 2.926 . 0 0 "[ . 1 . 2]" 1
757 1 76 LYS QG 1 77 LEU HA 4.000 . 5.000 4.030 3.754 4.373 . 0 0 "[ . 1 . 2]" 1
758 1 10 GLY QA 1 11 ASN H 3.000 . 3.500 2.464 2.080 2.923 . 0 0 "[ . 1 . 2]" 1
759 1 44 LEU H 1 45 GLY QA 4.000 . 5.000 4.356 3.671 5.149 0.149 16 0 "[ . 1 . 2]" 1
760 1 37 LEU QB 1 38 GLU H 3.500 . 4.000 1.944 1.733 2.433 0.067 17 0 "[ . 1 . 2]" 1
761 1 59 GLN QG 1 60 ALA H 5.000 . 6.000 3.658 1.751 4.447 0.049 9 0 "[ . 1 . 2]" 1
762 1 22 ILE QG 1 23 THR H 5.000 . 6.000 3.597 3.174 4.169 . 0 0 "[ . 1 . 2]" 1
763 1 40 LEU QB 1 41 GLU H 5.000 . 6.000 2.936 1.708 3.964 0.092 4 0 "[ . 1 . 2]" 1
764 1 63 ARG QD 1 64 ARG HE 3.000 . 3.500 3.802 3.626 4.030 0.530 12 3 "[ .- 1 + .* 2]" 1
765 1 83 SER QB 1 84 SER H 3.000 . 3.500 2.565 2.122 3.265 . 0 0 "[ . 1 . 2]" 1
766 1 46 ASP QB 1 47 THR H 3.500 . 4.000 3.041 1.912 3.952 . 0 0 "[ . 1 . 2]" 1
767 1 43 GLU QG 1 44 LEU MD2 5.500 . 6.500 4.829 2.449 6.022 . 0 0 "[ . 1 . 2]" 1
768 1 72 ARG QD 1 73 THR MG 4.500 . 5.500 4.158 3.105 5.153 . 0 0 "[ . 1 . 2]" 1
769 1 42 SER QB 1 43 GLU QG 5.000 . 6.000 5.124 4.457 6.140 0.140 18 0 "[ . 1 . 2]" 1
770 1 76 LYS QG 1 77 LEU H 3.500 . 4.000 3.189 2.786 4.203 0.203 11 0 "[ . 1 . 2]" 1
771 1 110 LEU QD 1 111 ILE H 6.000 . 7.000 3.800 3.186 3.928 . 0 0 "[ . 1 . 2]" 1
772 1 109 GLU QB 1 110 LEU H 3.500 . 4.000 2.666 2.460 2.848 . 0 0 "[ . 1 . 2]" 1
773 1 62 ASN QB 1 63 ARG H 4.000 . 5.000 3.608 1.873 4.068 . 0 0 "[ . 1 . 2]" 1
774 1 113 GLU QB 1 114 LEU MD1 5.500 . 6.500 4.153 2.403 5.617 . 0 0 "[ . 1 . 2]" 1
775 1 113 GLU QB 1 114 LEU H 3.500 . 4.000 2.555 2.259 3.496 . 0 0 "[ . 1 . 2]" 1
776 1 36 ILE MG 1 37 LEU QB 3.500 . 4.000 3.524 2.324 4.065 0.065 1 0 "[ . 1 . 2]" 1
777 1 5 SER HB2 1 7 SER H 3.000 . 3.500 3.160 2.269 3.836 0.336 11 0 "[ . 1 . 2]" 1
778 1 9 THR MG 1 11 ASN HA 5.500 . 6.500 5.518 4.109 6.785 0.285 13 0 "[ . 1 . 2]" 1
779 1 9 THR HA 1 12 ALA MB 4.500 . 5.500 4.281 2.676 5.528 0.028 11 0 "[ . 1 . 2]" 1
780 1 9 THR MG 1 12 ALA MB 3.500 . 4.000 3.393 1.899 4.124 0.124 17 0 "[ . 1 . 2]" 1
781 1 9 THR MG 1 12 ALA H 5.500 . 6.500 3.917 2.712 5.126 . 0 0 "[ . 1 . 2]" 1
782 1 13 VAL HB 1 15 VAL QG 5.500 . 6.500 3.574 3.138 4.011 . 0 0 "[ . 1 . 2]" 1
783 1 13 VAL QG 1 15 VAL QG 4.500 . 5.000 2.354 2.086 2.723 . 0 0 "[ . 1 . 2]" 1
784 1 14 VAL QG 1 16 PHE HA 5.500 . 6.500 4.558 4.271 4.883 . 0 0 "[ . 1 . 2]" 1
785 1 14 VAL QG 1 16 PHE HB2 4.500 . 5.500 4.592 4.400 4.854 . 0 0 "[ . 1 . 2]" 1
786 1 14 VAL QG 1 16 PHE HB3 5.500 . 6.500 3.150 2.931 3.479 . 0 0 "[ . 1 . 2]" 1
787 1 14 VAL QG 1 16 PHE QD 3.500 . 4.000 2.262 2.083 2.709 . 0 0 "[ . 1 . 2]" 1
788 1 14 VAL QG 1 16 PHE QE 4.500 . 5.500 3.671 3.188 4.244 . 0 0 "[ . 1 . 2]" 1
789 1 15 VAL HB 1 18 TYR QE 3.500 . 4.000 2.945 2.384 3.688 . 0 0 "[ . 1 . 2]" 1
790 1 15 VAL QG 1 18 TYR QD 4.000 . 5.000 3.017 2.358 3.493 . 0 0 "[ . 1 . 2]" 1
791 1 15 VAL QG 1 18 TYR QE 3.000 . 3.500 2.026 1.761 3.401 0.039 7 0 "[ . 1 . 2]" 1
792 1 16 PHE HA 1 18 TYR QE 5.000 . 6.000 3.394 2.303 4.146 . 0 0 "[ . 1 . 2]" 1
793 1 16 PHE HA 1 18 TYR H 5.000 . 6.000 3.307 3.083 3.834 . 0 0 "[ . 1 . 2]" 1
794 1 18 TYR HA 1 22 ILE MD 4.500 . 5.500 3.824 2.705 4.593 . 0 0 "[ . 1 . 2]" 1
795 1 18 TYR HB2 1 22 ILE MD 3.500 . 4.000 2.017 1.783 2.501 0.017 6 0 "[ . 1 . 2]" 1
796 1 18 TYR HB2 1 22 ILE MG 4.500 . 5.500 4.067 3.517 4.867 . 0 0 "[ . 1 . 2]" 1
797 1 18 TYR HB3 1 22 ILE MD 4.500 . 5.500 2.841 2.334 3.266 . 0 0 "[ . 1 . 2]" 1
798 1 18 TYR HB3 1 22 ILE MG 4.500 . 5.500 4.937 4.335 5.757 0.257 11 0 "[ . 1 . 2]" 1
799 1 18 TYR QD 1 23 THR HA 5.000 . 6.000 5.788 5.409 6.039 0.039 20 0 "[ . 1 . 2]" 1
800 1 19 ARG HA 1 21 ALA H 5.000 . 6.000 4.718 3.943 5.648 . 0 0 "[ . 1 . 2]" 1
801 1 19 ARG HE 1 21 ALA MB 5.500 . 6.500 3.432 2.086 6.039 . 0 0 "[ . 1 . 2]" 1
802 1 19 ARG HG2 1 21 ALA HA 5.000 . 6.000 5.487 4.421 6.185 0.185 5 0 "[ . 1 . 2]" 1
803 1 19 ARG HG2 1 21 ALA H 5.000 . 6.000 3.432 1.775 4.879 0.025 17 0 "[ . 1 . 2]" 1
804 1 19 ARG HG3 1 21 ALA H 4.000 . 5.000 3.763 2.318 5.122 0.122 13 0 "[ . 1 . 2]" 1
805 1 19 ARG HB2 1 22 ILE MG 4.500 . 5.500 4.832 3.550 5.663 0.163 15 0 "[ . 1 . 2]" 1
806 1 19 ARG HB2 1 22 ILE H 5.000 . 6.000 5.427 4.556 5.961 . 0 0 "[ . 1 . 2]" 1
807 1 19 ARG HE 1 22 ILE MG 5.500 . 6.500 4.415 2.125 6.265 . 0 0 "[ . 1 . 2]" 1
808 1 19 ARG HG2 1 22 ILE H 5.000 . 6.000 4.309 3.274 5.667 . 0 0 "[ . 1 . 2]" 1
809 1 19 ARG HG3 1 22 ILE H 5.000 . 6.000 4.766 2.508 6.278 0.278 12 0 "[ . 1 . 2]" 1
810 1 19 ARG H 1 22 ILE MD 4.000 . 5.000 3.208 2.586 3.746 . 0 0 "[ . 1 . 2]" 1
811 1 22 ILE HA 1 25 GLN QG 5.000 . 6.000 3.685 3.087 5.289 . 0 0 "[ . 1 . 2]" 1
812 1 22 ILE HA 1 25 GLN H 5.000 . 6.000 3.650 3.469 3.870 . 0 0 "[ . 1 . 2]" 1
813 1 22 ILE MD 1 25 GLN QG 5.500 . 6.500 5.058 4.526 5.566 . 0 0 "[ . 1 . 2]" 1
814 1 22 ILE MG 1 25 GLN HE21 5.500 . 6.500 4.380 3.291 6.258 . 0 0 "[ . 1 . 2]" 1
815 1 22 ILE MG 1 25 GLN HE22 5.500 . 6.500 3.879 2.376 6.679 0.179 16 0 "[ . 1 . 2]" 1
816 1 22 ILE MG 1 25 GLN QG 5.500 . 6.500 4.167 2.958 5.360 . 0 0 "[ . 1 . 2]" 1
817 1 22 ILE HB 1 26 ILE MD 5.500 . 6.500 4.589 3.966 5.113 . 0 0 "[ . 1 . 2]" 1
818 1 22 ILE MD 1 26 ILE HB 4.500 . 5.500 2.200 1.849 2.921 . 0 0 "[ . 1 . 2]" 1
819 1 22 ILE MD 1 26 ILE MD 4.000 . 5.000 2.413 1.824 3.237 . 0 0 "[ . 1 . 2]" 1
820 1 22 ILE MD 1 26 ILE H 5.500 . 6.500 3.132 2.720 3.737 . 0 0 "[ . 1 . 2]" 1
821 1 22 ILE MG 1 26 ILE MD 5.000 . 6.000 4.897 4.238 5.575 . 0 0 "[ . 1 . 2]" 1
822 1 23 THR HA 1 26 ILE HB 5.000 . 6.000 4.753 3.317 5.721 . 0 0 "[ . 1 . 2]" 1
823 1 23 THR HA 1 26 ILE MD 5.500 . 6.500 5.583 4.543 6.371 . 0 0 "[ . 1 . 2]" 1
824 1 23 THR HA 1 26 ILE MG 4.500 . 5.500 3.278 2.053 5.576 0.076 10 0 "[ . 1 . 2]" 1
825 1 23 THR HA 1 26 ILE H 5.000 . 6.000 4.129 3.535 4.755 . 0 0 "[ . 1 . 2]" 1
826 1 23 THR MG 1 26 ILE MG 5.000 . 6.000 4.196 3.067 6.007 0.007 10 0 "[ . 1 . 2]" 1
827 1 23 THR HA 1 27 LEU MD1 5.500 . 6.500 4.872 3.837 6.123 . 0 0 "[ . 1 . 2]" 1
828 1 23 THR MG 1 27 LEU HB3 3.500 . 4.000 3.531 2.525 4.127 0.127 3 0 "[ . 1 . 2]" 1
829 1 23 THR MG 1 27 LEU MD1 3.500 . 4.000 3.207 1.994 4.225 0.225 5 0 "[ . 1 . 2]" 1
830 1 23 THR MG 1 27 LEU MD2 4.000 . 5.000 2.979 2.140 4.669 . 0 0 "[ . 1 . 2]" 1
831 1 23 THR MG 1 27 LEU H 5.500 . 6.500 4.151 3.566 4.783 . 0 0 "[ . 1 . 2]" 1
832 1 24 LYS HA 1 27 LEU HB2 5.000 . 6.000 3.869 2.236 5.493 . 0 0 "[ . 1 . 2]" 1
833 1 24 LYS HA 1 27 LEU HB3 4.000 . 5.000 2.927 2.059 4.211 . 0 0 "[ . 1 . 2]" 1
834 1 24 LYS HA 1 27 LEU MD1 4.500 . 5.500 4.640 2.570 5.551 0.051 4 0 "[ . 1 . 2]" 1
835 1 24 LYS HA 1 27 LEU MD2 5.500 . 6.500 3.627 2.442 5.909 . 0 0 "[ . 1 . 2]" 1
836 1 25 GLN HA 1 28 ALA MB 4.000 . 5.000 3.652 2.979 4.452 . 0 0 "[ . 1 . 2]" 1
837 1 25 GLN HA 1 28 ALA H 5.000 . 6.000 4.121 3.649 4.605 . 0 0 "[ . 1 . 2]" 1
838 1 25 GLN QG 1 28 ALA MB 5.500 . 6.500 5.175 4.221 6.100 . 0 0 "[ . 1 . 2]" 1
839 1 26 ILE HA 1 29 TYR HB2 4.000 . 5.000 4.213 3.073 5.015 0.015 12 0 "[ . 1 . 2]" 1
840 1 26 ILE HA 1 29 TYR QD 5.000 . 6.000 4.995 4.359 5.823 . 0 0 "[ . 1 . 2]" 1
841 1 26 ILE MD 1 29 TYR QD 5.500 . 6.500 5.094 3.672 5.652 . 0 0 "[ . 1 . 2]" 1
842 1 26 ILE MG 1 29 TYR HB2 5.500 . 6.500 5.946 4.389 6.577 0.077 16 0 "[ . 1 . 2]" 1
843 1 26 ILE MG 1 29 TYR QD 5.500 . 6.500 5.396 3.711 6.214 . 0 0 "[ . 1 . 2]" 1
844 1 26 ILE MD 1 30 PHE QE 5.500 . 6.500 2.917 2.390 3.981 . 0 0 "[ . 1 . 2]" 1
845 1 26 ILE MG 1 30 PHE QD 4.000 . 5.000 3.229 1.877 3.895 . 0 0 "[ . 1 . 2]" 1
846 1 26 ILE MG 1 30 PHE QE 5.500 . 6.500 4.344 2.564 5.055 . 0 0 "[ . 1 . 2]" 1
847 1 26 ILE MG 1 30 PHE HZ 5.500 . 6.500 6.090 4.555 6.662 0.162 16 0 "[ . 1 . 2]" 1
848 1 26 ILE MG 1 31 ALA MB 6.000 . 7.000 5.583 3.784 6.153 . 0 0 "[ . 1 . 2]" 1
849 1 27 LEU HA 1 31 ALA H 3.500 . 4.000 3.603 3.034 4.104 0.104 10 0 "[ . 1 . 2]" 1
850 1 27 LEU MD2 1 31 ALA MB 4.500 . 5.000 3.145 1.922 4.848 . 0 0 "[ . 1 . 2]" 1
851 1 27 LEU H 1 31 ALA MB 5.500 . 6.500 5.450 4.254 5.983 . 0 0 "[ . 1 . 2]" 1
852 1 28 ALA HA 1 31 ALA MB 4.000 . 5.000 3.273 2.473 4.408 . 0 0 "[ . 1 . 2]" 1
853 1 28 ALA HA 1 31 ALA H 4.000 . 5.000 4.185 3.535 5.042 0.042 9 0 "[ . 1 . 2]" 1
854 1 30 PHE HA 1 33 PHE QD 5.000 . 6.000 3.129 1.862 4.971 . 0 0 "[ . 1 . 2]" 1
855 1 31 ALA HA 1 33 PHE H 5.000 . 6.000 3.687 3.497 3.954 . 0 0 "[ . 1 . 2]" 1
856 1 31 ALA MB 1 33 PHE H 5.500 . 6.500 4.422 4.255 4.650 . 0 0 "[ . 1 . 2]" 1
857 1 31 ALA H 1 33 PHE H 4.000 . 5.000 4.361 4.033 4.739 . 0 0 "[ . 1 . 2]" 1
858 1 31 ALA HA 1 36 ILE MD 4.000 . 5.000 4.517 2.772 5.284 0.284 1 0 "[ . 1 . 2]" 1
859 1 31 ALA MB 1 36 ILE MD 4.000 . 5.000 4.890 2.946 5.247 0.247 19 0 "[ . 1 . 2]" 1
860 1 31 ALA H 1 36 ILE MD 4.500 . 5.500 4.611 3.169 5.036 . 0 0 "[ . 1 . 2]" 1
861 1 32 GLN HA 1 34 GLY H 5.000 . 6.000 4.835 4.122 5.989 . 0 0 "[ . 1 . 2]" 1
862 1 33 PHE H 1 36 ILE MD 6.500 . 7.500 5.345 3.594 6.350 . 0 0 "[ . 1 . 2]" 1
863 1 34 GLY H 1 36 ILE MD 5.500 . 6.500 4.561 3.021 5.925 . 0 0 "[ . 1 . 2]" 1
864 1 39 ASP HA 1 41 GLU H 5.000 . 6.000 4.858 3.486 5.824 . 0 0 "[ . 1 . 2]" 1
865 1 44 LEU HB2 1 47 THR MG 4.500 . 5.500 4.693 2.192 5.836 0.336 1 0 "[ . 1 . 2]" 1
866 1 44 LEU MD1 1 47 THR MG 5.000 . 6.000 3.877 1.948 6.126 0.126 13 0 "[ . 1 . 2]" 1
867 1 46 ASP HA 1 49 THR MG 5.500 . 6.500 5.748 4.378 6.749 0.249 1 0 "[ . 1 . 2]" 1
868 1 47 THR HA 1 49 THR H 3.000 . 3.500 3.390 3.085 3.719 0.219 16 0 "[ . 1 . 2]" 1
869 1 47 THR HA 1 50 MET HB3 5.000 . 6.000 5.038 3.454 6.222 0.222 2 0 "[ . 1 . 2]" 1
870 1 48 GLU HA 1 51 ARG HD3 4.000 . 5.000 4.156 2.534 5.418 0.418 19 0 "[ . 1 . 2]" 1
871 1 48 GLU HA 1 51 ARG HG2 3.500 . 4.000 3.793 2.452 4.287 0.287 13 0 "[ . 1 . 2]" 1
872 1 52 THR HB 1 55 TYR HB2 5.000 . 6.000 4.530 2.209 5.940 . 0 0 "[ . 1 . 2]" 1
873 1 52 THR HB 1 55 TYR HB3 5.000 . 6.000 5.209 3.686 6.145 0.145 19 0 "[ . 1 . 2]" 1
874 1 57 PHE HE2 1 59 GLN HB2 5.000 . 6.000 4.440 2.445 6.071 0.071 14 0 "[ . 1 . 2]" 1
875 1 60 ALA MB 1 62 ASN H 5.500 . 6.500 3.448 2.445 5.542 . 0 0 "[ . 1 . 2]" 1
876 1 60 ALA MB 1 63 ARG HB2 5.500 . 6.500 3.066 1.866 4.683 . 0 0 "[ . 1 . 2]" 1
877 1 60 ALA MB 1 63 ARG HB3 4.000 . 5.000 3.376 2.022 4.878 . 0 0 "[ . 1 . 2]" 1
878 1 60 ALA MB 1 63 ARG H 5.500 . 6.500 3.473 2.417 5.084 . 0 0 "[ . 1 . 2]" 1
879 1 63 ARG HB2 1 65 ARG HA 5.000 . 6.000 5.371 3.701 6.121 0.121 12 0 "[ . 1 . 2]" 1
880 1 63 ARG HB3 1 65 ARG HA 5.000 . 6.000 5.680 4.410 6.646 0.646 9 2 "[ . +1- . 2]" 1
881 1 66 ILE MD 1 68 ARG HB2 3.500 . 4.000 3.085 1.905 4.198 0.198 5 0 "[ . 1 . 2]" 1
882 1 69 GLU HG2 1 74 TRP HH2 5.000 . 6.000 5.040 3.271 6.081 0.081 1 0 "[ . 1 . 2]" 1
883 1 69 GLU HG2 1 74 TRP HZ3 5.000 . 6.000 5.038 3.313 6.106 0.106 12 0 "[ . 1 . 2]" 1
884 1 69 GLU HG3 1 74 TRP HH2 5.000 . 6.000 4.687 3.026 5.456 . 0 0 "[ . 1 . 2]" 1
885 1 69 GLU HG3 1 74 TRP HZ3 5.000 . 6.000 5.007 3.288 6.100 0.100 7 0 "[ . 1 . 2]" 1
886 1 70 HIS HA 1 74 TRP HE3 5.000 . 6.000 4.103 3.389 5.480 . 0 0 "[ . 1 . 2]" 1
887 1 70 HIS HA 1 74 TRP HZ3 5.000 . 6.000 3.690 2.445 5.228 . 0 0 "[ . 1 . 2]" 1
888 1 70 HIS HA 1 75 THR HA 4.000 . 5.000 3.016 1.997 4.597 . 0 0 "[ . 1 . 2]" 1
889 1 70 HIS HB2 1 75 THR MG 5.500 . 6.500 3.645 2.196 5.678 . 0 0 "[ . 1 . 2]" 1
890 1 70 HIS HB3 1 75 THR HA 5.000 . 6.000 3.419 2.172 5.647 . 0 0 "[ . 1 . 2]" 1
891 1 70 HIS HB3 1 75 THR MG 5.500 . 6.500 3.488 2.070 5.064 . 0 0 "[ . 1 . 2]" 1
892 1 71 GLY HA2 1 74 TRP HE1 4.500 . 5.500 4.444 3.965 5.508 0.008 18 0 "[ . 1 . 2]" 1
893 1 71 GLY HA3 1 74 TRP HE1 4.000 . 5.000 3.007 2.488 4.132 . 0 0 "[ . 1 . 2]" 1
894 1 71 GLY H 1 74 TRP HE3 5.000 . 6.000 3.883 3.323 4.483 . 0 0 "[ . 1 . 2]" 1
895 1 71 GLY H 1 74 TRP H 4.000 . 5.000 3.675 3.131 4.470 . 0 0 "[ . 1 . 2]" 1
896 1 71 GLY H 1 75 THR HA 5.000 . 6.000 3.455 2.669 5.852 . 0 0 "[ . 1 . 2]" 1
897 1 72 ARG H 1 74 TRP H 5.000 . 6.000 3.228 1.990 4.642 . 0 0 "[ . 1 . 2]" 1
898 1 74 TRP HZ3 1 76 LYS HB2 5.000 . 6.000 3.422 2.049 4.780 . 0 0 "[ . 1 . 2]" 1
899 1 74 TRP HZ3 1 76 LYS H 5.000 . 6.000 3.934 3.464 4.835 . 0 0 "[ . 1 . 2]" 1
900 1 75 THR MG 1 77 LEU MD1 4.500 . 5.000 3.501 2.696 4.154 . 0 0 "[ . 1 . 2]" 1
901 1 75 THR MG 1 77 LEU MD2 4.000 . 5.000 2.349 1.823 5.013 0.013 7 0 "[ . 1 . 2]" 1
902 1 75 THR MG 1 77 LEU H 5.500 . 6.500 3.972 3.314 4.365 . 0 0 "[ . 1 . 2]" 1
903 1 77 LEU MD1 1 79 TYR HE2 5.500 . 6.500 3.789 2.682 5.049 . 0 0 "[ . 1 . 2]" 1
904 1 79 TYR HB3 1 81 ASN H 3.500 . 4.000 3.350 2.525 3.864 . 0 0 "[ . 1 . 2]" 1
905 1 79 TYR QD 1 84 SER HB2 4.000 . 5.000 3.509 2.173 4.321 . 0 0 "[ . 1 . 2]" 1
906 1 79 TYR QD 1 84 SER HB3 5.000 . 6.000 3.742 2.585 5.501 . 0 0 "[ . 1 . 2]" 1
907 1 81 ASN HA 1 83 SER H 5.000 . 6.000 3.891 3.632 4.095 . 0 0 "[ . 1 . 2]" 1
908 1 81 ASN HB2 1 83 SER H 3.500 . 4.000 3.670 2.567 4.099 0.099 6 0 "[ . 1 . 2]" 1
909 1 81 ASN HB2 1 84 SER H 3.500 . 4.000 3.180 2.795 4.004 0.004 5 0 "[ . 1 . 2]" 1
910 1 82 HIS HA 1 85 TYR HB2 5.000 . 6.000 2.662 2.194 3.057 . 0 0 "[ . 1 . 2]" 1
911 1 82 HIS HA 1 85 TYR HB3 6.000 . 7.000 2.350 1.898 3.199 . 0 0 "[ . 1 . 2]" 1
912 1 82 HIS HA 1 85 TYR QD 4.000 . 5.000 3.830 3.191 4.575 . 0 0 "[ . 1 . 2]" 1
913 1 82 HIS HA 1 85 TYR H 4.000 . 5.000 3.203 2.942 3.432 . 0 0 "[ . 1 . 2]" 1
914 1 82 HIS HD2 1 86 LEU QD 4.500 . 5.000 3.655 2.538 4.502 . 0 0 "[ . 1 . 2]" 1
915 1 83 SER HA 1 86 LEU QD 4.500 . 5.500 3.679 2.835 4.469 . 0 0 "[ . 1 . 2]" 1
916 1 83 SER HA 1 86 LEU H 4.000 . 5.000 4.027 3.677 4.644 . 0 0 "[ . 1 . 2]" 1
917 1 84 SER HA 1 87 ARG H 4.000 . 5.000 3.427 3.122 3.712 . 0 0 "[ . 1 . 2]" 1
918 1 84 SER HA 1 88 ALA H 4.000 . 5.000 4.355 3.753 4.858 . 0 0 "[ . 1 . 2]" 1
919 1 85 TYR HA 1 88 ALA MB 4.500 . 5.500 3.078 2.756 3.436 . 0 0 "[ . 1 . 2]" 1
920 1 85 TYR QD 1 89 LEU MD1 5.500 . 6.500 4.586 3.159 5.779 . 0 0 "[ . 1 . 2]" 1
921 1 85 TYR QE 1 89 LEU MD1 5.500 . 6.500 3.818 2.383 5.216 . 0 0 "[ . 1 . 2]" 1
922 1 85 TYR QE 1 89 LEU MD2 4.000 . 5.000 3.539 2.221 4.910 . 0 0 "[ . 1 . 2]" 1
923 1 86 LEU HB2 1 88 ALA H 5.000 . 6.000 5.320 4.944 5.859 . 0 0 "[ . 1 . 2]" 1
924 1 86 LEU HA 1 89 LEU HB2 5.000 . 6.000 3.187 2.454 4.072 . 0 0 "[ . 1 . 2]" 1
925 1 86 LEU HA 1 89 LEU HB3 5.000 . 6.000 4.041 2.606 5.642 . 0 0 "[ . 1 . 2]" 1
926 1 86 LEU HA 1 89 LEU MD2 4.000 . 5.000 3.021 1.958 4.068 . 0 0 "[ . 1 . 2]" 1
927 1 86 LEU HA 1 89 LEU H 5.000 . 6.000 3.635 3.287 3.978 . 0 0 "[ . 1 . 2]" 1
928 1 86 LEU QD 1 89 LEU MD1 4.000 . 5.000 4.032 2.322 4.854 . 0 0 "[ . 1 . 2]" 1
929 1 86 LEU QD 1 89 LEU MD2 4.000 . 5.000 2.969 2.116 4.860 . 0 0 "[ . 1 . 2]" 1
930 1 87 ARG HA 1 89 LEU H 5.000 . 6.000 3.805 3.501 4.008 . 0 0 "[ . 1 . 2]" 1
931 1 87 ARG HA 1 90 ARG H 5.000 . 6.000 4.324 3.819 4.741 . 0 0 "[ . 1 . 2]" 1
932 1 88 ALA H 1 90 ARG H 4.000 . 5.000 4.426 4.191 4.811 . 0 0 "[ . 1 . 2]" 1
933 1 91 GLU HA 1 94 THR HB 4.000 . 5.000 3.634 2.540 4.831 . 0 0 "[ . 1 . 2]" 1
934 1 91 GLU HA 1 94 THR MG 4.500 . 5.500 4.759 3.777 5.761 0.261 17 0 "[ . 1 . 2]" 1
935 1 94 THR MG 1 96 TYR HA 5.500 . 6.500 4.951 3.843 5.504 . 0 0 "[ . 1 . 2]" 1
936 1 94 THR MG 1 96 TYR HB3 4.000 . 5.000 4.609 4.113 5.130 0.130 17 0 "[ . 1 . 2]" 1
937 1 95 ILE MG 1 98 GLY HA2 4.000 . 5.000 2.925 2.457 3.376 . 0 0 "[ . 1 . 2]" 1
938 1 95 ILE MG 1 98 GLY HA3 4.500 . 5.500 4.044 3.702 4.387 . 0 0 "[ . 1 . 2]" 1
939 1 95 ILE MG 1 98 GLY H 4.000 . 5.000 2.734 2.376 3.279 . 0 0 "[ . 1 . 2]" 1
940 1 95 ILE HG12 1 99 ALA MB 4.000 . 5.000 5.116 4.974 5.489 0.489 3 0 "[ . 1 . 2]" 1
941 1 95 ILE MG 1 99 ALA HA 4.500 . 5.500 2.949 2.569 3.243 . 0 0 "[ . 1 . 2]" 1
942 1 95 ILE MG 1 99 ALA MB 5.000 . 6.000 3.889 3.705 4.134 . 0 0 "[ . 1 . 2]" 1
943 1 95 ILE MG 1 99 ALA H 4.000 . 5.000 2.856 2.456 3.341 . 0 0 "[ . 1 . 2]" 1
944 1 95 ILE HA 1 100 ALA HA 3.000 . 3.500 1.949 1.822 2.177 . 0 0 "[ . 1 . 2]" 1
945 1 95 ILE HA 1 100 ALA MB 4.000 . 5.000 3.240 3.025 3.597 . 0 0 "[ . 1 . 2]" 1
946 1 95 ILE MD 1 100 ALA HA 4.000 . 5.000 4.400 2.987 4.842 . 0 0 "[ . 1 . 2]" 1
947 1 95 ILE MD 1 100 ALA MB 3.500 . 4.000 3.319 2.406 3.864 . 0 0 "[ . 1 . 2]" 1
948 1 95 ILE MD 1 100 ALA H 4.500 . 5.500 4.398 2.166 4.852 . 0 0 "[ . 1 . 2]" 1
949 1 95 ILE MG 1 100 ALA HA 4.000 . 5.000 3.489 3.023 4.208 . 0 0 "[ . 1 . 2]" 1
950 1 95 ILE MG 1 100 ALA MB 5.000 . 6.000 3.761 3.571 4.233 . 0 0 "[ . 1 . 2]" 1
951 1 96 TYR H 1 99 ALA MB 5.500 . 6.500 4.204 3.802 4.524 . 0 0 "[ . 1 . 2]" 1
952 1 96 TYR H 1 99 ALA H 3.500 . 4.000 3.185 2.920 3.783 . 0 0 "[ . 1 . 2]" 1
953 1 96 TYR HB3 1 101 ILE MD 4.000 . 5.000 3.661 2.801 4.411 . 0 0 "[ . 1 . 2]" 1
954 1 96 TYR HB3 1 101 ILE MG 4.000 . 5.000 3.160 2.440 5.007 0.007 17 0 "[ . 1 . 2]" 1
955 1 96 TYR QD 1 101 ILE MD 4.500 . 5.500 4.246 2.765 5.052 . 0 0 "[ . 1 . 2]" 1
956 1 96 TYR QD 1 101 ILE MG 4.500 . 5.500 4.343 3.729 5.486 . 0 0 "[ . 1 . 2]" 1
957 1 96 TYR QE 1 101 ILE MD 6.500 . 7.500 5.521 4.338 6.388 . 0 0 "[ . 1 . 2]" 1
958 1 104 VAL QG 1 107 LYS HB3 4.500 . 5.500 5.191 3.630 5.472 . 0 0 "[ . 1 . 2]" 1
959 1 106 TYR QE 1 108 HIS HA 3.500 . 4.000 3.694 3.015 4.033 0.033 4 0 "[ . 1 . 2]" 1
960 1 106 TYR HA 1 110 LEU MD2 4.500 . 5.500 4.027 3.360 5.620 0.120 4 0 "[ . 1 . 2]" 1
961 1 106 TYR HA 1 111 ILE MD 5.500 . 6.500 3.999 3.139 4.449 . 0 0 "[ . 1 . 2]" 1
962 1 106 TYR QD 1 111 ILE MD 4.000 . 5.000 3.087 2.689 3.600 . 0 0 "[ . 1 . 2]" 1
963 1 106 TYR QE 1 111 ILE MD 3.500 . 4.000 2.668 2.075 3.116 . 0 0 "[ . 1 . 2]" 1
964 1 106 TYR QE 1 111 ILE HG12 5.000 . 6.000 3.756 2.186 4.199 . 0 0 "[ . 1 . 2]" 1
965 1 106 TYR QE 1 111 ILE MG 4.500 . 5.500 3.855 3.298 4.414 . 0 0 "[ . 1 . 2]" 1
966 1 107 LYS HB3 1 109 GLU H 5.000 . 6.000 3.174 2.898 4.665 . 0 0 "[ . 1 . 2]" 1
967 1 107 LYS HB3 1 110 LEU MD2 4.000 . 5.000 4.334 2.675 5.101 0.101 4 0 "[ . 1 . 2]" 1
968 1 107 LYS HB3 1 110 LEU H 4.000 . 5.000 2.701 2.325 3.125 . 0 0 "[ . 1 . 2]" 1
969 1 107 LYS H 1 110 LEU MD2 5.500 . 6.500 3.338 2.801 4.848 . 0 0 "[ . 1 . 2]" 1
970 1 108 HIS H 1 110 LEU H 5.000 . 6.000 4.093 3.934 4.349 . 0 0 "[ . 1 . 2]" 1
971 1 108 HIS HA 1 111 ILE HB 5.000 . 6.000 3.245 2.636 3.700 . 0 0 "[ . 1 . 2]" 1
972 1 108 HIS HA 1 111 ILE MD 4.500 . 5.500 4.565 3.550 5.112 . 0 0 "[ . 1 . 2]" 1
973 1 108 HIS HA 1 111 ILE HG12 5.000 . 6.000 3.294 2.659 4.595 . 0 0 "[ . 1 . 2]" 1
974 1 108 HIS HA 1 111 ILE HG13 5.000 . 6.000 3.626 3.085 5.724 . 0 0 "[ . 1 . 2]" 1
975 1 108 HIS HA 1 111 ILE H 3.500 . 4.000 3.604 3.328 3.886 . 0 0 "[ . 1 . 2]" 1
976 1 110 LEU H 1 112 SER H 5.000 . 6.000 4.137 3.962 4.324 . 0 0 "[ . 1 . 2]" 1
977 1 110 LEU MD1 1 113 GLU HG2 6.500 . 7.500 4.862 3.357 6.713 . 0 0 "[ . 1 . 2]" 1
978 1 110 LEU MD1 1 113 GLU HG3 5.500 . 6.500 4.546 3.356 5.823 . 0 0 "[ . 1 . 2]" 1
979 1 110 LEU MD1 1 114 LEU MD1 4.000 . 5.000 2.851 2.078 4.867 . 0 0 "[ . 1 . 2]" 1
980 1 110 LEU MD1 1 114 LEU MD2 4.500 . 5.000 2.938 2.210 3.410 . 0 0 "[ . 1 . 2]" 1
981 1 110 LEU MD1 1 114 LEU HG 5.500 . 6.500 3.283 2.462 4.523 . 0 0 "[ . 1 . 2]" 1
982 1 110 LEU MD2 1 114 LEU MD2 4.500 . 5.000 3.711 2.573 4.419 . 0 0 "[ . 1 . 2]" 1
983 1 110 LEU HG 1 114 LEU MD2 5.500 . 6.500 3.432 2.115 4.480 . 0 0 "[ . 1 . 2]" 1
984 1 111 ILE HA 1 114 LEU MD1 5.500 . 6.500 2.955 2.267 5.244 . 0 0 "[ . 1 . 2]" 1
985 1 111 ILE HA 1 114 LEU MD2 4.500 . 5.500 4.374 2.832 4.926 . 0 0 "[ . 1 . 2]" 1
986 1 111 ILE MD 1 114 LEU MD2 4.500 . 5.000 4.431 2.446 5.057 0.057 6 0 "[ . 1 . 2]" 1
987 1 111 ILE HA 1 115 SER H 5.000 . 6.000 3.997 3.724 4.610 . 0 0 "[ . 1 . 2]" 1
988 1 112 SER H 1 114 LEU H 4.000 . 5.000 4.247 4.098 4.556 . 0 0 "[ . 1 . 2]" 1
989 1 112 SER HA 1 115 SER H 3.000 . 3.500 3.559 3.443 3.677 0.177 9 0 "[ . 1 . 2]" 1
990 1 113 GLU HA 1 116 ARG HG2 5.000 . 6.000 4.194 2.084 5.921 . 0 0 "[ . 1 . 2]" 1
991 1 113 GLU HA 1 116 ARG H 3.500 . 4.000 3.660 3.228 4.250 0.250 10 0 "[ . 1 . 2]" 1
992 1 115 SER H 1 117 GLU H 5.000 . 6.000 4.256 3.759 4.923 . 0 0 "[ . 1 . 2]" 1
993 1 117 GLU HA 1 119 HIS H 5.000 . 6.000 4.509 3.132 6.279 0.279 18 0 "[ . 1 . 2]" 1
994 1 107 LYS QD 1 110 LEU MD2 4.500 . 5.500 3.435 2.397 4.912 . 0 0 "[ . 1 . 2]" 1
995 1 19 ARG QD 1 22 ILE MG 5.500 . 6.500 4.341 3.291 5.606 . 0 0 "[ . 1 . 2]" 1
996 1 113 GLU HA 1 116 ARG QB 4.000 . 5.000 3.167 2.418 4.379 . 0 0 "[ . 1 . 2]" 1
997 1 60 ALA MB 1 63 ARG QD 4.500 . 5.000 4.123 2.008 5.161 0.161 12 0 "[ . 1 . 2]" 1
998 1 10 GLY QA 1 12 ALA H 4.000 . 5.000 3.422 3.050 4.045 . 0 0 "[ . 1 . 2]" 1
999 1 104 VAL QG 1 107 LYS QG 4.500 . 5.500 3.769 2.924 4.735 . 0 0 "[ . 1 . 2]" 1
1000 1 107 LYS QD 1 110 LEU QB 3.500 . 4.000 3.091 1.958 4.160 0.160 3 0 "[ . 1 . 2]" 1
1001 1 107 LYS QG 1 110 LEU MD2 5.500 . 6.500 3.871 3.337 5.089 . 0 0 "[ . 1 . 2]" 1
1002 1 109 GLU HG2 1 112 SER QB 5.000 . 6.000 4.484 3.567 5.797 . 0 0 "[ . 1 . 2]" 1
1003 1 109 GLU QB 1 112 SER QB 5.000 . 6.000 4.550 4.127 5.521 . 0 0 "[ . 1 . 2]" 1
1004 1 19 ARG QD 1 21 ALA MB 4.000 . 5.000 3.332 2.332 5.079 0.079 4 0 "[ . 1 . 2]" 1
1005 1 109 GLU HA 1 112 SER QB 3.500 . 4.000 2.862 2.434 3.928 . 0 0 "[ . 1 . 2]" 1
1006 1 18 TYR HA 1 22 ILE QG 3.500 . 4.000 3.896 3.524 4.297 0.297 20 0 "[ . 1 . 2]" 1
1007 1 44 LEU MD1 1 48 GLU QG 5.500 . 6.500 4.762 2.883 6.367 . 0 0 "[ . 1 . 2]" 1
1008 1 25 GLN QB 1 28 ALA MB 5.500 . 6.500 4.905 4.357 5.629 . 0 0 "[ . 1 . 2]" 1
1009 1 110 LEU QB 1 114 LEU MD2 5.500 . 6.500 4.894 3.785 5.409 . 0 0 "[ . 1 . 2]" 1
1010 1 110 LEU HA 1 113 GLU QB 4.000 . 5.000 2.871 2.436 4.261 . 0 0 "[ . 1 . 2]" 1
1011 1 18 TYR QD 1 22 ILE QG 5.000 . 6.000 3.357 2.574 3.915 . 0 0 "[ . 1 . 2]" 1
1012 1 110 LEU MD1 1 113 GLU QB 4.000 . 5.000 3.220 2.579 4.776 . 0 0 "[ . 1 . 2]" 1
1013 1 83 SER QB 1 86 LEU QD 5.500 . 6.500 4.998 4.348 5.666 . 0 0 "[ . 1 . 2]" 1
1014 1 18 TYR HB3 1 22 ILE QG 5.000 . 6.000 3.708 3.081 4.417 . 0 0 "[ . 1 . 2]" 1
1015 1 110 LEU QD 1 114 LEU MD2 5.000 . 5.500 2.800 2.089 3.192 . 0 0 "[ . 1 . 2]" 1
1016 1 107 LYS HB2 1 110 LEU QB 5.000 . 6.000 2.136 1.836 3.410 . 0 0 "[ . 1 . 2]" 1
1017 1 22 ILE QG 1 26 ILE MD 4.000 . 5.000 3.973 3.122 4.970 . 0 0 "[ . 1 . 2]" 1
1018 1 110 LEU QD 1 113 GLU QB 5.000 . 6.000 3.157 2.570 4.689 . 0 0 "[ . 1 . 2]" 1
1019 1 109 GLU QG 1 113 GLU H 3.500 . 4.000 4.021 3.639 4.181 0.181 17 0 "[ . 1 . 2]" 1
1020 1 107 LYS QG 1 109 GLU H 4.000 . 5.000 4.760 2.637 5.040 0.040 3 0 "[ . 1 . 2]" 1
1021 1 19 ARG H 1 22 ILE QG 3.500 . 4.000 2.463 2.037 2.913 . 0 0 "[ . 1 . 2]" 1
1022 1 18 TYR HB2 1 22 ILE QG 5.000 . 6.000 2.436 1.868 3.028 . 0 0 "[ . 1 . 2]" 1
1023 1 66 ILE MD 1 68 ARG QD 4.500 . 5.500 4.531 2.573 5.603 0.103 14 0 "[ . 1 . 2]" 1
1024 1 57 PHE HE2 1 59 GLN QG 5.000 . 6.000 3.845 2.039 5.854 . 0 0 "[ . 1 . 2]" 1
1025 1 94 THR MG 1 96 TYR QD 4.000 . 5.000 4.119 3.413 4.776 . 0 0 "[ . 1 . 2]" 1
1026 1 9 THR HA 1 106 TYR QD 5.000 . 6.000 4.431 2.217 5.851 . 0 0 "[ . 1 . 2]" 1
1027 1 9 THR HB 1 106 TYR QD 5.000 . 6.000 4.401 2.142 5.891 . 0 0 "[ . 1 . 2]" 1
1028 1 11 ASN HB2 1 78 THR MG 4.500 . 5.500 4.093 2.931 5.210 . 0 0 "[ . 1 . 2]" 1
1029 1 11 ASN HD21 1 82 HIS H 6.000 . 7.000 5.506 3.584 6.911 . 0 0 "[ . 1 . 2]" 1
1030 1 12 ALA MB 1 76 LYS HE2 4.000 . 5.000 3.903 2.044 5.104 0.104 9 0 "[ . 1 . 2]" 1
1031 1 12 ALA MB 1 76 LYS HE3 4.000 . 5.000 3.553 2.139 4.410 . 0 0 "[ . 1 . 2]" 1
1032 1 12 ALA MB 1 77 LEU H 4.500 . 5.500 4.217 3.569 4.705 . 0 0 "[ . 1 . 2]" 1
1033 1 12 ALA HA 1 78 THR HA 3.500 . 4.000 2.444 2.049 2.907 . 0 0 "[ . 1 . 2]" 1
1034 1 12 ALA HA 1 78 THR MG 4.500 . 5.500 3.532 2.930 3.904 . 0 0 "[ . 1 . 2]" 1
1035 1 12 ALA MB 1 78 THR HA 4.000 . 5.000 3.046 2.476 3.721 . 0 0 "[ . 1 . 2]" 1
1036 1 12 ALA MB 1 78 THR HB 4.500 . 5.500 4.346 3.939 4.905 . 0 0 "[ . 1 . 2]" 1
1037 1 12 ALA MB 1 78 THR MG 3.500 . 4.000 2.804 2.043 3.289 . 0 0 "[ . 1 . 2]" 1
1038 1 12 ALA H 1 78 THR MG 5.500 . 6.500 4.434 3.706 5.238 . 0 0 "[ . 1 . 2]" 1
1039 1 12 ALA HA 1 79 TYR H 4.000 . 5.000 3.567 2.554 4.222 . 0 0 "[ . 1 . 2]" 1
1040 1 12 ALA MB 1 79 TYR H 5.500 . 6.500 4.535 3.781 5.395 . 0 0 "[ . 1 . 2]" 1
1041 1 12 ALA H 1 85 TYR QD 5.000 . 6.000 4.293 2.777 5.868 . 0 0 "[ . 1 . 2]" 1
1042 1 12 ALA H 1 85 TYR QE 5.000 . 6.000 3.938 2.667 5.318 . 0 0 "[ . 1 . 2]" 1
1043 1 12 ALA MB 1 106 TYR HB2 4.500 . 5.500 2.878 2.432 3.711 . 0 0 "[ . 1 . 2]" 1
1044 1 12 ALA MB 1 106 TYR HB3 4.500 . 5.500 3.621 2.860 4.457 . 0 0 "[ . 1 . 2]" 1
1045 1 12 ALA MB 1 106 TYR QD 4.500 . 5.500 3.708 3.166 4.417 . 0 0 "[ . 1 . 2]" 1
1046 1 12 ALA MB 1 106 TYR H 4.500 . 5.500 4.245 3.697 5.603 0.103 7 0 "[ . 1 . 2]" 1
1047 1 13 VAL QG 1 77 LEU HB3 4.500 . 5.500 3.670 2.789 5.228 . 0 0 "[ . 1 . 2]" 1
1048 1 13 VAL QG 1 77 LEU MD1 4.500 . 5.000 3.208 2.123 4.453 . 0 0 "[ . 1 . 2]" 1
1049 1 13 VAL H 1 77 LEU H 4.000 . 5.000 3.170 2.831 3.616 . 0 0 "[ . 1 . 2]" 1
1050 1 13 VAL QG 1 78 THR HA 5.500 . 6.500 4.232 3.609 4.594 . 0 0 "[ . 1 . 2]" 1
1051 1 13 VAL H 1 78 THR HA 4.000 . 5.000 3.703 3.411 4.011 . 0 0 "[ . 1 . 2]" 1
1052 1 13 VAL QG 1 79 TYR HD2 5.500 . 6.500 3.583 2.313 6.688 0.188 9 0 "[ . 1 . 2]" 1
1053 1 13 VAL QG 1 85 TYR QD 4.000 . 5.000 2.502 2.046 3.203 . 0 0 "[ . 1 . 2]" 1
1054 1 13 VAL QG 1 85 TYR QE 3.500 . 4.000 2.301 1.973 2.654 . 0 0 "[ . 1 . 2]" 1
1055 1 13 VAL QG 1 88 ALA MB 4.500 . 5.000 2.453 1.796 3.488 0.004 5 0 "[ . 1 . 2]" 1
1056 1 13 VAL HA 1 89 LEU MD1 5.500 . 6.500 5.541 4.343 6.457 . 0 0 "[ . 1 . 2]" 1
1057 1 13 VAL HB 1 89 LEU MD1 4.500 . 5.500 4.444 3.520 5.517 0.017 13 0 "[ . 1 . 2]" 1
1058 1 13 VAL QG 1 89 LEU MD1 4.000 . 5.000 3.156 2.322 3.783 . 0 0 "[ . 1 . 2]" 1
1059 1 13 VAL QG 1 89 LEU MD2 4.500 . 5.000 3.859 1.954 4.967 . 0 0 "[ . 1 . 2]" 1
1060 1 13 VAL QG 1 89 LEU H 5.500 . 6.500 4.366 3.640 4.933 . 0 0 "[ . 1 . 2]" 1
1061 1 13 VAL HA 1 105 PRO HA 4.000 . 5.000 2.673 2.150 3.214 . 0 0 "[ . 1 . 2]" 1
1062 1 13 VAL HA 1 106 TYR H 3.500 . 4.000 2.858 2.533 3.384 . 0 0 "[ . 1 . 2]" 1
1063 1 13 VAL HB 1 106 TYR H 6.000 . 7.000 5.002 4.208 5.620 . 0 0 "[ . 1 . 2]" 1
1064 1 13 VAL QG 1 106 TYR H 5.500 . 6.500 3.713 3.327 4.210 . 0 0 "[ . 1 . 2]" 1
1065 1 14 VAL QG 1 74 TRP HE3 4.000 . 5.000 2.614 2.102 3.409 . 0 0 "[ . 1 . 2]" 1
1066 1 14 VAL QG 1 74 TRP HZ3 4.500 . 5.500 3.775 3.108 4.757 . 0 0 "[ . 1 . 2]" 1
1067 1 14 VAL QG 1 75 THR H 4.500 . 5.500 3.459 3.052 3.896 . 0 0 "[ . 1 . 2]" 1
1068 1 14 VAL HA 1 76 LYS HA 4.000 . 5.000 2.342 2.044 2.535 . 0 0 "[ . 1 . 2]" 1
1069 1 14 VAL HA 1 76 LYS HB3 5.000 . 6.000 5.001 3.461 5.428 . 0 0 "[ . 1 . 2]" 1
1070 1 14 VAL QG 1 76 LYS HA 4.500 . 5.500 2.965 2.740 3.216 . 0 0 "[ . 1 . 2]" 1
1071 1 14 VAL QG 1 76 LYS HB2 4.000 . 5.000 2.952 2.382 3.407 . 0 0 "[ . 1 . 2]" 1
1072 1 14 VAL HA 1 77 LEU H 5.000 . 6.000 3.395 3.089 3.745 . 0 0 "[ . 1 . 2]" 1
1073 1 14 VAL QG 1 77 LEU H 5.500 . 6.500 4.199 4.011 4.444 . 0 0 "[ . 1 . 2]" 1
1074 1 14 VAL HB 1 104 VAL QG 4.500 . 5.000 2.590 1.986 3.025 . 0 0 "[ . 1 . 2]" 1
1075 1 14 VAL H 1 104 VAL H 4.000 . 5.000 3.082 2.712 3.327 . 0 0 "[ . 1 . 2]" 1
1076 1 14 VAL QG 1 106 TYR QD . . 4.000 2.464 2.036 2.944 . 0 0 "[ . 1 . 2]" 1
1077 1 14 VAL QG 1 106 TYR QE 5.000 . 5.000 3.638 3.129 4.165 . 0 0 "[ . 1 . 2]" 1
1078 1 14 VAL QG 1 106 TYR HA 3.500 . 4.000 2.088 1.854 2.386 . 0 0 "[ . 1 . 2]" 1
1079 1 14 VAL QG 1 106 TYR H 5.500 . 6.500 3.755 2.811 4.034 . 0 0 "[ . 1 . 2]" 1
1080 1 14 VAL H 1 106 TYR H 5.000 . 6.000 4.205 2.715 4.601 . 0 0 "[ . 1 . 2]" 1
1081 1 14 VAL QG 1 107 LYS H 5.500 . 6.500 3.062 2.663 4.762 . 0 0 "[ . 1 . 2]" 1
1082 1 14 VAL HB 1 110 LEU MD2 3.500 . 4.000 2.681 2.157 4.027 0.027 4 0 "[ . 1 . 2]" 1
1083 1 14 VAL QG 1 110 LEU MD1 5.000 . 5.000 3.774 1.887 4.122 . 0 0 "[ . 1 . 2]" 1
1084 1 14 VAL QG 1 110 LEU MD2 4.000 . 5.000 2.291 2.002 3.711 . 0 0 "[ . 1 . 2]" 1
1085 1 14 VAL QG 1 111 ILE MD 4.000 . 5.000 2.164 1.862 2.887 . 0 0 "[ . 1 . 2]" 1
1086 1 14 VAL QG 1 114 LEU MD1 5.000 . 6.000 2.955 2.137 4.237 . 0 0 "[ . 1 . 2]" 1
1087 1 14 VAL QG 1 114 LEU MD2 4.000 . 5.000 3.628 2.096 4.411 . 0 0 "[ . 1 . 2]" 1
1088 1 15 VAL QG 1 26 ILE MD 5.000 . 6.000 3.715 3.266 4.520 . 0 0 "[ . 1 . 2]" 1
1089 1 15 VAL QG 1 26 ILE MG 5.000 . 6.000 4.655 3.629 5.342 . 0 0 "[ . 1 . 2]" 1
1090 1 15 VAL QG 1 30 PHE QE 4.500 . 5.500 4.046 3.483 4.570 . 0 0 "[ . 1 . 2]" 1
1091 1 15 VAL QG 1 30 PHE QD 4.500 . 5.500 4.433 4.012 4.775 . 0 0 "[ . 1 . 2]" 1
1092 1 15 VAL QG 1 30 PHE HZ 5.500 . 6.500 4.466 3.752 5.274 . 0 0 "[ . 1 . 2]" 1
1093 1 15 VAL HB 1 75 THR MG 4.000 . 5.000 3.841 2.417 4.810 . 0 0 "[ . 1 . 2]" 1
1094 1 15 VAL HB 1 75 THR H 5.000 . 6.000 3.601 3.297 4.040 . 0 0 "[ . 1 . 2]" 1
1095 1 15 VAL QG 1 75 THR MG 4.500 . 5.000 3.869 2.972 4.608 . 0 0 "[ . 1 . 2]" 1
1096 1 15 VAL H 1 75 THR MG 4.500 . 5.500 4.145 3.164 4.886 . 0 0 "[ . 1 . 2]" 1
1097 1 15 VAL H 1 75 THR H 4.000 . 5.000 3.072 2.860 3.289 . 0 0 "[ . 1 . 2]" 1
1098 1 15 VAL QG 1 76 LYS HA 5.500 . 6.500 4.282 3.806 4.590 . 0 0 "[ . 1 . 2]" 1
1099 1 15 VAL H 1 76 LYS HA 4.000 . 5.000 3.375 2.960 3.627 . 0 0 "[ . 1 . 2]" 1
1100 1 15 VAL HB 1 77 LEU MD2 5.500 . 6.500 4.360 2.483 6.341 . 0 0 "[ . 1 . 2]" 1
1101 1 15 VAL QG 1 77 LEU HB3 5.500 . 6.500 4.250 2.687 4.941 . 0 0 "[ . 1 . 2]" 1
1102 1 15 VAL QG 1 77 LEU MD1 4.000 . 5.000 2.364 1.908 3.837 . 0 0 "[ . 1 . 2]" 1
1103 1 15 VAL QG 1 101 ILE MD 4.500 . 5.000 2.953 2.327 3.611 . 0 0 "[ . 1 . 2]" 1
1104 1 15 VAL QG 1 102 GLY H 4.500 . 5.500 3.768 3.343 4.114 . 0 0 "[ . 1 . 2]" 1
1105 1 15 VAL HA 1 103 CYS HA 4.000 . 5.000 2.395 2.207 2.731 . 0 0 "[ . 1 . 2]" 1
1106 1 15 VAL QG 1 103 CYS HA 4.500 . 5.500 2.820 2.118 3.322 . 0 0 "[ . 1 . 2]" 1
1107 1 15 VAL QG 1 103 CYS HB2 5.500 . 6.500 2.999 1.954 3.923 . 0 0 "[ . 1 . 2]" 1
1108 1 15 VAL QG 1 103 CYS HB3 5.500 . 6.500 2.920 1.872 3.750 . 0 0 "[ . 1 . 2]" 1
1109 1 15 VAL HA 1 104 VAL H 5.000 . 6.000 3.767 3.428 4.351 . 0 0 "[ . 1 . 2]" 1
1110 1 16 PHE HA 1 74 TRP HA 4.000 . 5.000 2.442 2.071 2.930 . 0 0 "[ . 1 . 2]" 1
1111 1 16 PHE HB2 1 74 TRP HA 5.000 . 6.000 3.617 3.143 4.133 . 0 0 "[ . 1 . 2]" 1
1112 1 16 PHE HA 1 75 THR H 5.000 . 6.000 3.726 3.400 4.322 . 0 0 "[ . 1 . 2]" 1
1113 1 16 PHE H 1 102 GLY H 4.000 . 5.000 3.148 2.837 3.500 . 0 0 "[ . 1 . 2]" 1
1114 1 16 PHE QD 1 104 VAL QG . . 5.000 3.479 3.049 3.736 . 0 0 "[ . 1 . 2]" 1
1115 1 16 PHE QE 1 104 VAL QG 4.500 . 5.000 2.119 1.937 2.304 . 0 0 "[ . 1 . 2]" 1
1116 1 16 PHE HZ 1 104 VAL QG 4.500 . 5.500 3.173 2.752 3.591 . 0 0 "[ . 1 . 2]" 1
1117 1 16 PHE QD 1 110 LEU MD1 4.500 . 5.500 4.271 3.194 5.056 . 0 0 "[ . 1 . 2]" 1
1118 1 16 PHE QE 1 110 LEU MD2 4.500 . 5.500 2.790 2.288 3.607 . 0 0 "[ . 1 . 2]" 1
1119 1 16 PHE HA 1 114 LEU MD1 6.500 . 7.500 5.943 4.453 7.092 . 0 0 "[ . 1 . 2]" 1
1120 1 16 PHE HB2 1 114 LEU MD1 4.500 . 5.500 4.681 2.589 5.655 0.155 10 0 "[ . 1 . 2]" 1
1121 1 16 PHE HB2 1 114 LEU MD2 5.500 . 6.500 3.995 2.490 5.163 . 0 0 "[ . 1 . 2]" 1
1122 1 16 PHE HB3 1 114 LEU MD1 5.500 . 6.500 4.067 2.877 5.144 . 0 0 "[ . 1 . 2]" 1
1123 1 16 PHE HB3 1 114 LEU MD2 5.500 . 6.500 3.774 2.442 5.015 . 0 0 "[ . 1 . 2]" 1
1124 1 16 PHE QD 1 114 LEU MD1 4.500 . 5.500 3.960 3.201 5.320 . 0 0 "[ . 1 . 2]" 1
1125 1 17 GLY H 1 74 TRP HA 5.000 . 6.000 4.144 3.558 4.660 . 0 0 "[ . 1 . 2]" 1
1126 1 17 GLY HA3 1 102 GLY H 3.500 . 4.000 3.244 2.762 3.808 . 0 0 "[ . 1 . 2]" 1
1127 1 18 TYR HA 1 26 ILE MD 5.500 . 6.500 5.082 4.370 6.456 . 0 0 "[ . 1 . 2]" 1
1128 1 18 TYR HB2 1 26 ILE MD 4.000 . 5.000 3.716 2.804 5.043 0.043 9 0 "[ . 1 . 2]" 1
1129 1 18 TYR HB3 1 26 ILE MD 4.500 . 5.500 3.245 2.405 4.564 . 0 0 "[ . 1 . 2]" 1
1130 1 18 TYR HB3 1 26 ILE MG 5.500 . 6.500 4.692 4.034 5.799 . 0 0 "[ . 1 . 2]" 1
1131 1 18 TYR QD 1 26 ILE MD 4.500 . 5.500 3.443 2.534 4.914 . 0 0 "[ . 1 . 2]" 1
1132 1 18 TYR QD 1 26 ILE MG 4.500 . 5.500 4.157 3.599 4.672 . 0 0 "[ . 1 . 2]" 1
1133 1 18 TYR QE 1 26 ILE MG 4.500 . 5.500 4.419 3.365 5.324 . 0 0 "[ . 1 . 2]" 1
1134 1 18 TYR QE 1 36 ILE MD 5.000 . 6.000 4.792 3.764 5.930 . 0 0 "[ . 1 . 2]" 1
1135 1 18 TYR QE 1 36 ILE MG 4.000 . 5.000 3.120 2.324 4.751 . 0 0 "[ . 1 . 2]" 1
1136 1 18 TYR HA 1 37 LEU MD2 5.500 . 6.500 6.003 5.653 6.683 0.183 13 0 "[ . 1 . 2]" 1
1137 1 18 TYR QD 1 37 LEU MD2 5.500 . 6.500 2.518 2.005 3.539 . 0 0 "[ . 1 . 2]" 1
1138 1 18 TYR QE 1 73 THR HA 5.000 . 6.000 4.819 3.298 5.808 . 0 0 "[ . 1 . 2]" 1
1139 1 18 TYR H 1 73 THR HA 5.000 . 6.000 4.534 3.406 5.443 . 0 0 "[ . 1 . 2]" 1
1140 1 18 TYR H 1 73 THR HB 4.000 . 5.000 3.786 2.633 5.016 0.016 10 0 "[ . 1 . 2]" 1
1141 1 18 TYR H 1 73 THR MG 5.500 . 6.500 4.641 3.774 5.739 . 0 0 "[ . 1 . 2]" 1
1142 1 18 TYR QE 1 74 TRP HA 4.500 . 5.500 3.971 2.092 5.251 . 0 0 "[ . 1 . 2]" 1
1143 1 18 TYR QD 1 75 THR MG 5.500 . 6.500 5.550 4.093 6.181 . 0 0 "[ . 1 . 2]" 1
1144 1 18 TYR QE 1 75 THR MG 4.000 . 5.000 3.775 2.567 4.454 . 0 0 "[ . 1 . 2]" 1
1145 1 18 TYR QE 1 75 THR H 5.000 . 6.000 3.930 2.346 4.708 . 0 0 "[ . 1 . 2]" 1
1146 1 18 TYR HA 1 99 ALA MB 4.500 . 5.500 4.768 3.552 5.532 0.032 6 0 "[ . 1 . 2]" 1
1147 1 18 TYR QD 1 101 ILE MG 4.500 . 5.500 2.891 2.084 4.303 . 0 0 "[ . 1 . 2]" 1
1148 1 18 TYR H 1 101 ILE MD 5.500 . 6.500 6.333 5.651 6.614 0.114 1 0 "[ . 1 . 2]" 1
1149 1 18 TYR H 1 101 ILE MG 5.500 . 6.500 4.251 3.390 5.232 . 0 0 "[ . 1 . 2]" 1
1150 1 19 ARG HB2 1 37 LEU MD2 5.500 . 6.500 5.868 5.206 6.651 0.151 17 0 "[ . 1 . 2]" 1
1151 1 19 ARG HB3 1 37 LEU MD2 5.500 . 6.500 5.707 5.195 6.269 . 0 0 "[ . 1 . 2]" 1
1152 1 19 ARG HA 1 73 THR MG 3.500 . 4.000 2.887 2.059 4.029 0.029 15 0 "[ . 1 . 2]" 1
1153 1 20 GLU HG2 1 38 GLU HB2 5.000 . 6.000 5.413 3.266 6.214 0.214 19 0 "[ . 1 . 2]" 1
1154 1 20 GLU HG3 1 39 ASP H 5.000 . 6.000 5.320 3.092 6.324 0.324 20 0 "[ . 1 . 2]" 1
1155 1 20 GLU H 1 73 THR MG 5.000 . 6.000 4.429 3.463 5.909 . 0 0 "[ . 1 . 2]" 1
1156 1 22 ILE MD 1 36 ILE HB 4.500 . 5.500 5.611 4.914 6.033 0.533 3 1 "[ + . 1 . 2]" 1
1157 1 22 ILE MD 1 36 ILE MD 5.000 . 6.000 5.462 4.469 6.178 0.178 9 0 "[ . 1 . 2]" 1
1158 1 22 ILE MD 1 37 LEU MD2 4.500 . 5.000 3.476 2.121 4.426 . 0 0 "[ . 1 . 2]" 1
1159 1 22 ILE HB 1 96 TYR QE 3.500 . 4.000 3.547 2.302 4.131 0.131 8 0 "[ . 1 . 2]" 1
1160 1 22 ILE MD 1 96 TYR HB2 5.500 . 6.500 5.849 5.025 6.557 0.057 12 0 "[ . 1 . 2]" 1
1161 1 22 ILE MD 1 96 TYR QD 4.000 . 5.000 3.492 2.194 4.254 . 0 0 "[ . 1 . 2]" 1
1162 1 22 ILE MD 1 96 TYR QE 4.000 . 5.000 3.709 2.599 4.420 . 0 0 "[ . 1 . 2]" 1
1163 1 22 ILE MG 1 96 TYR QD 5.500 . 6.500 4.176 2.604 4.883 . 0 0 "[ . 1 . 2]" 1
1164 1 22 ILE MG 1 96 TYR QE 5.500 . 6.500 4.226 2.426 4.983 . 0 0 "[ . 1 . 2]" 1
1165 1 22 ILE MD 1 97 CYS HB2 4.000 . 5.000 4.336 2.447 5.067 0.067 3 0 "[ . 1 . 2]" 1
1166 1 22 ILE MD 1 97 CYS HB3 4.500 . 5.500 4.789 3.068 5.536 0.036 8 0 "[ . 1 . 2]" 1
1167 1 22 ILE MG 1 97 CYS HB2 5.500 . 6.500 3.363 1.985 4.852 . 0 0 "[ . 1 . 2]" 1
1168 1 22 ILE MG 1 97 CYS HB3 5.500 . 6.500 3.676 2.504 5.176 . 0 0 "[ . 1 . 2]" 1
1169 1 23 THR MG 1 38 GLU H 4.000 . 5.000 3.998 2.391 5.025 0.025 6 0 "[ . 1 . 2]" 1
1170 1 23 THR MG 1 40 LEU MD1 4.000 . 5.000 4.660 2.787 5.376 0.376 8 0 "[ . 1 . 2]" 1
1171 1 23 THR MG 1 40 LEU MD2 4.000 . 5.000 3.346 2.080 4.984 . 0 0 "[ . 1 . 2]" 1
1172 1 24 LYS HD3 1 41 GLU H 5.000 . 6.000 5.515 3.942 6.382 0.382 20 0 "[ . 1 . 2]" 1
1173 1 25 GLN QG 1 96 TYR QE 5.000 . 6.000 3.700 2.197 4.300 . 0 0 "[ . 1 . 2]" 1
1174 1 26 ILE MD 1 36 ILE MG 6.000 . 7.000 3.693 2.609 5.126 . 0 0 "[ . 1 . 2]" 1
1175 1 26 ILE MG 1 36 ILE MG 4.500 . 5.000 2.767 1.858 3.702 . 0 0 "[ . 1 . 2]" 1
1176 1 26 ILE MG 1 75 THR MG 5.000 . 6.000 5.819 4.560 6.290 0.290 2 0 "[ . 1 . 2]" 1
1177 1 26 ILE HA 1 96 TYR QE 5.000 . 6.000 3.531 3.115 4.206 . 0 0 "[ . 1 . 2]" 1
1178 1 26 ILE MD 1 96 TYR QD 3.500 . 4.000 3.366 2.688 3.907 . 0 0 "[ . 1 . 2]" 1
1179 1 26 ILE MD 1 96 TYR QE 4.500 . 5.500 4.122 3.055 4.579 . 0 0 "[ . 1 . 2]" 1
1180 1 26 ILE HG13 1 96 TYR QE 4.000 . 5.000 3.917 2.811 4.799 . 0 0 "[ . 1 . 2]" 1
1181 1 26 ILE MG 1 96 TYR HB3 5.500 . 6.500 5.875 5.187 6.577 0.077 18 0 "[ . 1 . 2]" 1
1182 1 26 ILE HB 1 101 ILE MD 4.500 . 5.500 5.331 4.697 5.755 0.255 9 0 "[ . 1 . 2]" 1
1183 1 26 ILE MD 1 101 ILE MD 4.000 . 5.000 2.400 1.901 2.791 . 0 0 "[ . 1 . 2]" 1
1184 1 26 ILE MD 1 101 ILE HG12 5.500 . 6.500 4.328 3.154 4.782 . 0 0 "[ . 1 . 2]" 1
1185 1 26 ILE MD 1 101 ILE MG 4.000 . 5.000 2.663 2.147 3.534 . 0 0 "[ . 1 . 2]" 1
1186 1 26 ILE HG12 1 101 ILE MG 4.000 . 5.000 4.870 4.246 5.127 0.127 2 0 "[ . 1 . 2]" 1
1187 1 26 ILE MG 1 101 ILE MD 4.000 . 5.000 4.577 3.340 5.103 0.103 14 0 "[ . 1 . 2]" 1
1188 1 27 LEU H 1 37 LEU MD2 5.500 . 6.500 6.110 4.605 6.658 0.158 7 0 "[ . 1 . 2]" 1
1189 1 27 LEU MD2 1 40 LEU MD2 4.000 . 5.000 3.150 1.815 5.238 0.238 20 0 "[ . 1 . 2]" 1
1190 1 27 LEU MD2 1 40 LEU HG 4.500 . 5.500 4.502 2.074 5.984 0.484 10 0 "[ . 1 . 2]" 1
1191 1 27 LEU MD1 1 43 GLU HB2 5.500 . 6.500 4.518 2.780 5.725 . 0 0 "[ . 1 . 2]" 1
1192 1 27 LEU MD1 1 43 GLU HB3 5.500 . 6.500 4.208 2.164 5.931 . 0 0 "[ . 1 . 2]" 1
1193 1 27 LEU MD2 1 43 GLU HA 4.500 . 5.500 3.413 1.975 4.964 . 0 0 "[ . 1 . 2]" 1
1194 1 27 LEU MD2 1 44 LEU HA 5.500 . 6.500 6.099 4.385 6.709 0.209 5 0 "[ . 1 . 2]" 1
1195 1 28 ALA HA 1 44 LEU MD1 4.500 . 5.500 4.410 2.062 5.581 0.081 12 0 "[ . 1 . 2]" 1
1196 1 28 ALA HA 1 44 LEU MD2 4.500 . 5.500 3.098 1.751 3.479 0.049 20 0 "[ . 1 . 2]" 1
1197 1 28 ALA MB 1 44 LEU MD2 4.500 . 5.000 3.782 2.549 4.341 . 0 0 "[ . 1 . 2]" 1
1198 1 28 ALA H 1 44 LEU MD2 4.500 . 5.500 5.265 3.490 5.732 0.232 19 0 "[ . 1 . 2]" 1
1199 1 29 TYR QE 1 94 THR MG 4.500 . 5.500 4.676 3.330 5.382 . 0 0 "[ . 1 . 2]" 1
1200 1 29 TYR QD 1 101 ILE MD 5.500 . 6.500 4.883 4.182 5.390 . 0 0 "[ . 1 . 2]" 1
1201 1 29 TYR QE 1 101 ILE MD 4.500 . 5.500 4.995 4.088 5.476 . 0 0 "[ . 1 . 2]" 1
1202 1 30 PHE QB 1 77 LEU MD1 4.500 . 5.500 3.802 2.774 4.694 . 0 0 "[ . 1 . 2]" 1
1203 1 30 PHE QD 1 88 ALA MB 4.500 . 5.500 4.093 2.610 5.274 . 0 0 "[ . 1 . 2]" 1
1204 1 30 PHE QE 1 88 ALA HA 5.000 . 6.000 3.191 2.195 4.908 . 0 0 "[ . 1 . 2]" 1
1205 1 30 PHE QE 1 88 ALA MB 4.000 . 5.000 3.748 2.766 5.169 0.169 6 0 "[ . 1 . 2]" 1
1206 1 30 PHE HZ 1 90 ARG HG2 4.000 . 5.000 4.471 3.674 4.967 . 0 0 "[ . 1 . 2]" 1
1207 1 30 PHE HZ 1 90 ARG HG3 5.000 . 6.000 3.884 2.223 4.966 . 0 0 "[ . 1 . 2]" 1
1208 1 30 PHE QD 1 101 ILE MD 5.500 . 6.500 4.237 3.717 4.660 . 0 0 "[ . 1 . 2]" 1
1209 1 30 PHE QE 1 101 ILE MD 4.000 . 5.000 2.656 2.153 3.179 . 0 0 "[ . 1 . 2]" 1
1210 1 30 PHE QE 1 101 ILE MG 4.500 . 5.500 4.364 3.104 5.200 . 0 0 "[ . 1 . 2]" 1
1211 1 30 PHE HZ 1 101 ILE MD 4.000 . 5.000 2.465 1.879 2.979 . 0 0 "[ . 1 . 2]" 1
1212 1 30 PHE HZ 1 101 ILE MG 5.500 . 6.500 4.849 2.781 5.749 . 0 0 "[ . 1 . 2]" 1
1213 1 31 ALA MB 1 44 LEU MD1 4.500 . 5.000 2.507 1.884 5.038 0.038 11 0 "[ . 1 . 2]" 1
1214 1 31 ALA MB 1 44 LEU MD2 4.500 . 5.000 2.516 1.916 5.074 0.074 11 0 "[ . 1 . 2]" 1
1215 1 35 GLU HB3 1 66 ILE HB 5.000 . 6.000 4.547 2.670 6.275 0.275 3 0 "[ . 1 . 2]" 1
1216 1 36 ILE HB 1 66 ILE MD 4.500 . 5.500 5.467 4.888 5.774 0.274 5 0 "[ . 1 . 2]" 1
1217 1 36 ILE MG 1 66 ILE MD 5.000 . 6.000 4.380 2.810 5.600 . 0 0 "[ . 1 . 2]" 1
1218 1 36 ILE MD 1 75 THR MG 3.500 . 4.000 4.065 3.060 4.282 0.282 1 0 "[ . 1 . 2]" 1
1219 1 38 GLU HA 1 66 ILE HB 4.000 . 5.000 4.370 2.735 5.266 0.266 14 0 "[ . 1 . 2]" 1
1220 1 38 GLU HA 1 66 ILE MG 4.500 . 5.500 3.280 1.848 5.026 . 0 0 "[ . 1 . 2]" 1
1221 1 38 GLU H 1 66 ILE MG 5.500 . 6.500 4.486 3.694 5.102 . 0 0 "[ . 1 . 2]" 1
1222 1 43 GLU HB2 1 51 ARG HE 5.000 . 6.000 5.338 3.230 6.281 0.281 18 0 "[ . 1 . 2]" 1
1223 1 44 LEU MD1 1 51 ARG HG2 4.000 . 5.000 3.747 2.457 5.265 0.265 19 0 "[ . 1 . 2]" 1
1224 1 44 LEU MD2 1 51 ARG HG2 4.500 . 5.500 5.347 3.960 5.782 0.282 11 0 "[ . 1 . 2]" 1
1225 1 52 THR HA 1 79 TYR HA 4.000 . 5.000 4.987 4.284 5.318 0.318 19 0 "[ . 1 . 2]" 1
1226 1 53 PRO HG2 1 80 ALA MB 3.500 . 4.000 3.212 2.013 4.087 0.087 19 0 "[ . 1 . 2]" 1
1227 1 66 ILE HB 1 75 THR MG 5.500 . 6.500 5.586 4.599 6.798 0.298 7 0 "[ . 1 . 2]" 1
1228 1 66 ILE HG13 1 75 THR MG 4.500 . 5.500 5.177 3.826 5.802 0.302 4 0 "[ . 1 . 2]" 1
1229 1 66 ILE MD 1 78 THR HB 5.500 . 6.500 6.587 6.341 6.762 0.262 10 0 "[ . 1 . 2]" 1
1230 1 68 ARG HB2 1 78 THR HB 5.000 . 6.000 5.428 3.725 6.240 0.240 5 0 "[ . 1 . 2]" 1
1231 1 70 HIS HA 1 76 LYS H 5.000 . 6.000 3.466 2.344 5.303 . 0 0 "[ . 1 . 2]" 1
1232 1 74 TRP HE3 1 111 ILE MD 5.500 . 6.500 3.840 3.281 4.513 . 0 0 "[ . 1 . 2]" 1
1233 1 74 TRP HH2 1 111 ILE MD 4.500 . 5.500 3.694 2.856 5.126 . 0 0 "[ . 1 . 2]" 1
1234 1 74 TRP HH2 1 111 ILE MG 4.500 . 5.500 3.249 2.438 4.600 . 0 0 "[ . 1 . 2]" 1
1235 1 74 TRP HZ2 1 111 ILE MG 4.500 . 5.500 3.948 2.547 5.380 . 0 0 "[ . 1 . 2]" 1
1236 1 74 TRP HZ3 1 111 ILE MD 5.500 . 6.500 3.154 2.433 4.268 . 0 0 "[ . 1 . 2]" 1
1237 1 74 TRP HZ3 1 111 ILE MG 5.500 . 6.500 4.008 2.924 4.970 . 0 0 "[ . 1 . 2]" 1
1238 1 74 TRP HB2 1 114 LEU MD1 5.500 . 6.500 3.543 2.336 5.636 . 0 0 "[ . 1 . 2]" 1
1239 1 74 TRP HB3 1 114 LEU MD1 5.500 . 6.500 3.463 2.448 5.361 . 0 0 "[ . 1 . 2]" 1
1240 1 74 TRP HD1 1 114 LEU MD1 4.500 . 5.500 3.794 2.390 5.387 . 0 0 "[ . 1 . 2]" 1
1241 1 74 TRP HE1 1 114 LEU HB2 5.000 . 6.000 4.206 3.533 4.919 . 0 0 "[ . 1 . 2]" 1
1242 1 74 TRP HE1 1 115 SER HA 4.000 . 5.000 4.090 2.565 5.020 0.020 15 0 "[ . 1 . 2]" 1
1243 1 74 TRP HZ2 1 115 SER HA 5.000 . 6.000 4.000 2.549 5.568 . 0 0 "[ . 1 . 2]" 1
1244 1 74 TRP HZ2 1 115 SER HB2 6.000 . 7.000 5.229 4.134 6.705 . 0 0 "[ . 1 . 2]" 1
1245 1 74 TRP HZ2 1 115 SER HB3 5.000 . 6.000 4.744 3.038 6.059 0.059 12 0 "[ . 1 . 2]" 1
1246 1 76 LYS HB3 1 106 TYR QE 4.000 . 5.000 4.885 3.231 5.137 0.137 2 0 "[ . 1 . 2]" 1
1247 1 76 LYS HD3 1 106 TYR QD 4.000 . 5.000 3.337 2.007 4.910 . 0 0 "[ . 1 . 2]" 1
1248 1 76 LYS HD3 1 106 TYR QE 4.000 . 5.000 2.953 2.103 4.339 . 0 0 "[ . 1 . 2]" 1
1249 1 76 LYS HE2 1 106 TYR QD 5.000 . 6.000 4.526 3.168 5.412 . 0 0 "[ . 1 . 2]" 1
1250 1 76 LYS HE2 1 106 TYR QE 4.000 . 5.000 4.216 3.376 4.945 . 0 0 "[ . 1 . 2]" 1
1251 1 76 LYS HB2 1 111 ILE MD 4.500 . 5.500 3.940 3.055 5.073 . 0 0 "[ . 1 . 2]" 1
1252 1 79 TYR HD2 1 85 TYR HA 5.000 . 6.000 3.579 2.570 6.022 0.022 18 0 "[ . 1 . 2]" 1
1253 1 79 TYR HD2 1 88 ALA MB 4.000 . 5.000 3.945 2.762 5.006 0.006 10 0 "[ . 1 . 2]" 1
1254 1 79 TYR HE2 1 88 ALA MB 3.500 . 4.000 2.829 1.793 4.633 0.633 9 1 "[ . +1 . 2]" 1
1255 1 85 TYR QE 1 105 PRO HA 3.500 . 4.000 3.336 2.422 4.027 0.027 9 0 "[ . 1 . 2]" 1
1256 1 85 TYR QE 1 105 PRO HB3 4.000 . 5.000 3.512 2.048 4.141 . 0 0 "[ . 1 . 2]" 1
1257 1 85 TYR QE 1 106 TYR H 5.000 . 6.000 4.163 2.561 5.738 . 0 0 "[ . 1 . 2]" 1
1258 1 89 LEU HA 1 104 VAL QG 5.500 . 6.500 5.340 4.542 5.939 . 0 0 "[ . 1 . 2]" 1
1259 1 89 LEU MD1 1 104 VAL HA 3.500 . 4.000 3.113 2.566 4.104 0.104 13 0 "[ . 1 . 2]" 1
1260 1 89 LEU MD1 1 104 VAL HB 4.500 . 5.500 4.868 4.144 5.532 0.032 13 0 "[ . 1 . 2]" 1
1261 1 89 LEU MD2 1 104 VAL QG 6.000 . 7.000 5.124 3.510 5.684 . 0 0 "[ . 1 . 2]" 1
1262 1 89 LEU MD1 1 105 PRO HA 4.500 . 5.500 4.376 3.462 5.395 . 0 0 "[ . 1 . 2]" 1
1263 1 89 LEU MD1 1 105 PRO HD2 4.000 . 5.000 4.054 3.211 5.007 0.007 17 0 "[ . 1 . 2]" 1
1264 1 89 LEU MD1 1 105 PRO HD3 4.000 . 5.000 2.737 2.216 3.633 . 0 0 "[ . 1 . 2]" 1
1265 1 89 LEU MD1 1 105 PRO HG2 4.500 . 5.500 4.574 3.565 5.348 . 0 0 "[ . 1 . 2]" 1
1266 1 89 LEU MD1 1 105 PRO HG3 4.500 . 5.500 3.495 2.485 4.604 . 0 0 "[ . 1 . 2]" 1
1267 1 89 LEU MD2 1 105 PRO HG2 5.500 . 6.500 5.487 3.800 6.553 0.053 9 0 "[ . 1 . 2]" 1
1268 1 89 LEU MD2 1 105 PRO HG3 5.500 . 6.500 4.329 2.832 5.666 . 0 0 "[ . 1 . 2]" 1
1269 1 90 ARG HG2 1 101 ILE MD 4.500 . 5.500 5.263 3.831 5.633 0.133 6 0 "[ . 1 . 2]" 1
1270 1 91 GLU HA 1 100 ALA MB 4.000 . 5.000 5.000 4.431 5.295 0.295 19 0 "[ . 1 . 2]" 1
1271 1 93 GLY HA3 1 100 ALA MB 5.500 . 6.500 5.695 3.814 6.589 0.089 13 0 "[ . 1 . 2]" 1
1272 1 94 THR HB 1 101 ILE HB 5.000 . 6.000 5.463 3.051 6.189 0.189 17 0 "[ . 1 . 2]" 1
1273 1 94 THR HB 1 101 ILE MD 4.500 . 5.500 3.917 3.476 5.514 0.014 17 0 "[ . 1 . 2]" 1
1274 1 94 THR HB 1 101 ILE HG12 5.000 . 6.000 3.613 2.624 6.441 0.441 17 0 "[ . 1 . 2]" 1
1275 1 94 THR MG 1 101 ILE HB 4.500 . 5.500 4.759 2.494 5.568 0.068 9 0 "[ . 1 . 2]" 1
1276 1 94 THR MG 1 101 ILE MD 4.000 . 5.000 2.475 2.076 3.994 . 0 0 "[ . 1 . 2]" 1
1277 1 94 THR MG 1 101 ILE HG12 4.000 . 5.000 2.811 2.243 4.751 . 0 0 "[ . 1 . 2]" 1
1278 1 94 THR MG 1 101 ILE HG13 3.500 . 4.000 3.213 2.643 3.888 . 0 0 "[ . 1 . 2]" 1
1279 1 95 ILE HA 1 101 ILE H 5.000 . 6.000 3.413 3.035 3.936 . 0 0 "[ . 1 . 2]" 1
1280 1 104 VAL QG 1 110 LEU MD2 . . 4.000 2.013 1.826 2.185 . 0 0 "[ . 1 . 2]" 1
1281 1 104 VAL QG 1 110 LEU MD1 4.000 . 5.000 3.212 2.585 3.878 . 0 0 "[ . 1 . 2]" 1
1282 1 40 LEU QB 1 59 GLN QG 5.000 . 6.000 5.165 2.861 6.274 0.274 1 0 "[ . 1 . 2]" 1
1283 1 26 ILE MG 1 37 LEU QB 5.500 . 6.500 4.729 3.610 5.613 . 0 0 "[ . 1 . 2]" 1
1284 1 22 ILE QG 1 96 TYR QD 5.000 . 6.000 4.856 3.075 5.808 . 0 0 "[ . 1 . 2]" 1
1285 1 40 LEU QB 1 57 PHE HE2 5.000 . 6.000 5.197 3.493 6.271 0.271 5 0 "[ . 1 . 2]" 1
1286 1 37 LEU QB 1 66 ILE MG 4.500 . 5.500 5.127 4.605 5.705 0.205 12 0 "[ . 1 . 2]" 1
1287 1 27 LEU MD1 1 43 GLU QG 4.500 . 5.500 4.102 2.283 5.524 0.024 2 0 "[ . 1 . 2]" 1
1288 1 24 LYS QD 1 40 LEU MD2 4.000 . 5.000 4.722 3.641 5.244 0.244 1 0 "[ . 1 . 2]" 1
1289 1 16 PHE QD 1 110 LEU QD 6.000 . 7.000 3.267 2.775 3.710 . 0 0 "[ . 1 . 2]" 1
1290 1 14 VAL QG 1 74 TRP QB 4.500 . 5.500 2.520 2.113 3.052 . 0 0 "[ . 1 . 2]" 1
1291 1 17 GLY H 1 74 TRP QB 5.000 . 6.000 4.416 3.952 4.914 . 0 0 "[ . 1 . 2]" 1
1292 1 24 LYS QD 1 40 LEU H 4.000 . 5.000 4.965 3.948 5.451 0.451 3 0 "[ . 1 . 2]" 1
1293 1 14 VAL QG 1 110 LEU QD 4.500 . 5.000 2.187 1.882 2.482 . 0 0 "[ . 1 . 2]" 1
1294 1 16 PHE QE 1 110 LEU QD 6.000 . 7.000 2.664 2.239 3.489 . 0 0 "[ . 1 . 2]" 1
1295 1 30 PHE HZ 1 90 ARG QB 5.000 . 6.000 5.103 2.073 6.215 0.215 16 0 "[ . 1 . 2]" 1
1296 1 16 PHE HA 1 74 TRP QB 4.000 . 5.000 3.384 2.897 3.955 . 0 0 "[ . 1 . 2]" 1
1297 1 22 ILE QG 1 37 LEU MD2 3.000 . 3.500 3.455 2.373 3.745 0.245 6 0 "[ . 1 . 2]" 1
1298 1 14 VAL HB 1 110 LEU QD 5.000 . 6.000 2.592 2.152 3.092 . 0 0 "[ . 1 . 2]" 1
1299 1 74 TRP QB 1 114 LEU MD2 5.500 . 6.500 2.989 2.013 4.416 . 0 0 "[ . 1 . 2]" 1
1300 1 24 LYS QD 1 39 ASP HB3 5.000 . 6.000 4.669 3.746 6.268 0.268 10 0 "[ . 1 . 2]" 1
1301 1 27 LEU MD2 1 43 GLU QG 5.500 . 6.500 2.994 1.789 5.051 0.011 4 0 "[ . 1 . 2]" 1
1302 1 24 LYS QD 1 39 ASP HA 5.000 . 6.000 5.568 3.859 6.163 0.163 2 0 "[ . 1 . 2]" 1
1303 1 22 ILE QG 1 37 LEU MD1 3.500 . 4.000 3.545 2.004 4.130 0.130 8 0 "[ . 1 . 2]" 1
1304 1 24 LYS QD 1 39 ASP HB2 5.000 . 6.000 5.228 3.813 6.039 0.039 4 0 "[ . 1 . 2]" 1
1305 1 23 THR MG 1 43 GLU QG 5.500 . 6.500 5.468 3.525 6.844 0.344 15 0 "[ . 1 . 2]" 1
1306 1 30 PHE HZ 1 90 ARG QD 4.000 . 5.000 4.164 2.892 5.129 0.129 3 0 "[ . 1 . 2]" 1
1307 1 48 GLU QG 1 57 PHE HE1 5.000 . 6.000 4.777 2.468 6.113 0.113 5 0 "[ . 1 . 2]" 1
1308 1 76 LYS HD2 1 106 TYR QD 3.000 . 3.500 2.949 2.222 3.472 . 0 0 "[ . 1 . 2]" 1
1309 1 9 THR MG 1 106 TYR QD 4.000 . 5.000 3.390 1.916 4.743 . 0 0 "[ . 1 . 2]" 1
1310 1 26 ILE HG13 1 96 TYR QD 4.000 . 5.000 3.866 3.055 4.540 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 7.073
_Distance_constraint_stats_list.Viol_max 0.265
_Distance_constraint_stats_list.Viol_rms 0.0147
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.1768
_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 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.265 0.265 19 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.265 0.265 19 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ARG 0.089 0.089 17 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.089 0.089 17 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 TYR 0.265 0.265 19 0 "[ . 1 . 2]"
1 81 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 26 ILE HG13 1 29 TYR QD 5.000 . 6.000 4.578 4.050 5.420 . 0 0 "[ . 1 . 2]" 2
2 1 47 THR HA 1 48 GLU H 2.500 . 3.000 2.522 2.213 2.744 . 0 0 "[ . 1 . 2]" 2
3 1 66 ILE HA 1 67 SER H 2.500 . 3.000 2.206 1.990 2.640 . 0 0 "[ . 1 . 2]" 2
4 1 15 VAL QG 1 77 LEU H 3.500 . 4.000 2.628 2.289 3.531 . 0 0 "[ . 1 . 2]" 2
5 1 9 THR HA 1 10 GLY H 3.000 . 3.500 2.607 1.994 3.261 . 0 0 "[ . 1 . 2]" 2
6 1 34 GLY HA3 1 79 TYR HA 4.000 . 5.000 4.485 3.537 5.265 0.265 19 0 "[ . 1 . 2]" 2
7 1 74 TRP HA 1 75 THR MG 5.000 . 6.000 3.702 3.380 3.987 . 0 0 "[ . 1 . 2]" 2
8 1 56 PHE HB2 1 57 PHE H 3.000 . 3.500 2.657 1.809 3.215 . 0 0 "[ . 1 . 2]" 2
9 1 29 TYR HA 1 29 TYR QE 5.000 . 6.000 4.078 3.801 4.190 . 0 0 "[ . 1 . 2]" 2
10 1 16 PHE QD 1 114 LEU MD2 5.000 . 6.000 2.841 2.259 3.679 . 0 0 "[ . 1 . 2]" 2
11 1 84 SER HA 1 88 ALA MB 5.000 . 6.000 3.748 3.611 3.855 . 0 0 "[ . 1 . 2]" 2
12 1 79 TYR HB2 1 85 TYR H 5.000 . 6.000 3.986 3.230 4.545 . 0 0 "[ . 1 . 2]" 2
13 1 13 VAL H 1 79 TYR H 5.000 . 6.000 4.321 3.731 4.660 . 0 0 "[ . 1 . 2]" 2
14 1 116 ARG HA 1 117 GLU H 2.500 . 3.000 2.430 2.203 2.789 . 0 0 "[ . 1 . 2]" 2
15 1 9 THR H 1 9 THR HA 2.500 . 3.000 2.426 2.233 2.757 . 0 0 "[ . 1 . 2]" 2
16 1 63 ARG QD 1 65 ARG H 5.000 . 6.000 3.404 1.711 4.292 0.089 17 0 "[ . 1 . 2]" 2
17 1 76 LYS HD2 1 106 TYR QE 3.000 . 3.500 2.442 2.015 3.231 . 0 0 "[ . 1 . 2]" 2
18 1 63 ARG HB2 1 64 ARG H 3.000 . 3.500 2.619 2.090 3.407 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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