Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578022 | 2mkl RC | 19783 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mkl
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 1163
_Distance_constraint_stats_list.Viol_count 877
_Distance_constraint_stats_list.Viol_total 958.975
_Distance_constraint_stats_list.Viol_max 1.774
_Distance_constraint_stats_list.Viol_rms 0.0543
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.1093
_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 3 ARG 0.234 0.135 2 0 "[ . 1]"
1 4 GLN 1.331 0.216 8 0 "[ . 1]"
1 5 THR 9.697 1.433 9 3 "[ - .* +1]"
1 6 ASP 4.636 0.226 8 0 "[ . 1]"
1 7 ILE 10.474 1.433 9 3 "[ - .* +1]"
1 8 SER 1.337 0.333 3 0 "[ . 1]"
1 9 VAL 0.081 0.054 6 0 "[ . 1]"
1 10 SER 1.524 0.245 5 0 "[ . 1]"
1 11 LEU 3.381 0.444 5 0 "[ . 1]"
1 12 LEU 0.681 0.279 1 0 "[ . 1]"
1 13 LYS 1.313 0.142 7 0 "[ . 1]"
1 14 PRO 1.265 0.109 4 0 "[ . 1]"
1 15 PRO 0.787 0.239 6 0 "[ . 1]"
1 16 PHE 0.787 0.239 6 0 "[ . 1]"
1 19 ILE 5.720 1.774 1 5 "[+ *. *-*]"
1 20 TRP 5.758 1.774 1 5 "[+ *. *-*]"
1 21 THR 0.000 0.000 . 0 "[ . 1]"
1 23 GLN 0.000 0.000 . 0 "[ . 1]"
1 24 THR 1.992 0.330 8 0 "[ . 1]"
1 25 ALA 0.090 0.065 6 0 "[ . 1]"
1 26 THR 0.090 0.065 6 0 "[ . 1]"
1 27 ILE 1.848 0.751 1 1 "[+ . 1]"
1 28 VAL 3.092 0.751 1 1 "[+ . 1]"
1 29 CYS 0.865 0.178 7 0 "[ . 1]"
1 30 GLU 0.481 0.142 4 0 "[ . 1]"
1 31 ILE 1.230 0.178 7 0 "[ . 1]"
1 32 VAL 0.491 0.333 3 0 "[ . 1]"
1 33 TYR 5.112 0.348 8 0 "[ . 1]"
1 34 SER 0.301 0.077 6 0 "[ . 1]"
1 35 ASP 0.000 0.000 . 0 "[ . 1]"
1 36 LEU 2.663 0.498 4 0 "[ . 1]"
1 37 GLU 9.581 1.058 8 9 "[*****- +**]"
1 38 ASN 6.043 0.528 2 3 "[*+ - 1]"
1 39 ILE 16.284 1.058 8 9 "[****-* +**]"
1 40 LYS 0.376 0.231 8 0 "[ . 1]"
1 41 VAL 0.118 0.118 7 0 "[ . 1]"
1 42 PHE 2.089 0.197 4 0 "[ . 1]"
1 43 TRP 3.134 0.212 7 0 "[ . 1]"
1 44 GLN 1.940 0.990 1 2 "[+ - 1]"
1 45 VAL 1.393 0.202 2 0 "[ . 1]"
1 46 ASN 1.132 0.233 4 0 "[ . 1]"
1 47 GLY 0.536 0.202 2 0 "[ . 1]"
1 48 VAL 1.541 0.233 4 0 "[ . 1]"
1 49 GLU 0.587 0.064 2 0 "[ . 1]"
1 50 ARG 1.705 0.287 8 0 "[ . 1]"
1 51 LYS 0.000 0.000 . 0 "[ . 1]"
1 52 LYS 0.205 0.199 6 0 "[ . 1]"
1 53 GLY 0.172 0.054 2 0 "[ . 1]"
1 54 VAL 0.004 0.004 7 0 "[ . 1]"
1 55 GLU 0.063 0.052 7 0 "[ . 1]"
1 56 THR 0.471 0.105 2 0 "[ . 1]"
1 57 GLN 0.938 0.105 2 0 "[ . 1]"
1 58 ASN 2.596 0.216 4 0 "[ . 1]"
1 59 PRO 1.892 0.216 4 0 "[ . 1]"
1 60 GLU 0.573 0.105 4 0 "[ . 1]"
1 61 TRP 0.157 0.088 2 0 "[ . 1]"
1 62 SER 0.507 0.179 8 0 "[ . 1]"
1 63 GLY 0.507 0.179 8 0 "[ . 1]"
1 65 LYS 0.309 0.082 2 0 "[ . 1]"
1 66 SER 0.128 0.052 1 0 "[ . 1]"
1 67 THR 0.964 0.105 4 0 "[ . 1]"
1 68 ILE 3.259 0.137 5 0 "[ . 1]"
1 69 VAL 1.861 0.187 8 0 "[ . 1]"
1 70 SER 0.795 0.187 8 0 "[ . 1]"
1 71 LYS 0.062 0.041 8 0 "[ . 1]"
1 72 LEU 1.458 0.203 5 0 "[ . 1]"
1 73 LYS 0.727 0.158 3 0 "[ . 1]"
1 74 VAL 0.800 0.267 8 0 "[ . 1]"
1 75 MET 1.293 0.267 8 0 "[ . 1]"
1 76 ALA 1.859 0.330 8 0 "[ . 1]"
1 77 SER 0.109 0.065 4 0 "[ . 1]"
1 78 GLU 1.344 0.216 5 0 "[ . 1]"
1 79 TRP 0.723 0.223 9 0 "[ . 1]"
1 80 ASP 0.154 0.136 5 0 "[ . 1]"
1 81 SER 0.000 0.000 . 0 "[ . 1]"
1 82 GLY 0.000 0.000 . 0 "[ . 1]"
1 83 THR 1.354 0.223 9 0 "[ . 1]"
1 84 GLU 0.654 0.089 3 0 "[ . 1]"
1 85 TYR 2.141 0.234 6 0 "[ . 1]"
1 86 VAL 2.389 0.990 1 2 "[+ - 1]"
1 87 CYS 1.156 0.212 7 0 "[ . 1]"
1 88 LEU 1.538 0.423 3 0 "[ . 1]"
1 89 VAL 0.246 0.230 7 0 "[ . 1]"
1 90 GLU 0.000 0.000 . 0 "[ . 1]"
1 91 ASP 4.349 0.627 4 3 "[ +. - *]"
1 92 SER 0.281 0.281 4 0 "[ . 1]"
1 93 GLU 2.324 0.627 4 1 "[ +. 1]"
1 94 LEU 8.510 0.528 10 3 "[ . *- +]"
1 95 PRO 0.000 0.000 . 0 "[ . 1]"
1 96 THR 1.571 0.505 8 1 "[ . + 1]"
1 97 PRO 0.707 0.103 4 0 "[ . 1]"
1 98 VAL 1.906 0.678 2 2 "[-+ . 1]"
1 99 LYS 1.371 0.423 3 0 "[ . 1]"
1 100 ALA 1.727 0.338 1 0 "[ . 1]"
1 101 SER 2.170 0.338 1 0 "[ . 1]"
1 102 ILE 4.557 0.234 6 0 "[ . 1]"
1 103 ARG 0.563 0.132 8 0 "[ . 1]"
1 104 LYS 0.714 0.136 5 0 "[ . 1]"
1 105 ALA 0.264 0.073 9 0 "[ . 1]"
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 83 THR MG 1 85 TYR QD . . 4.280 2.821 2.125 3.643 . 0 0 "[ . 1]" 1
2 1 94 LEU HA 1 94 LEU HG . . 4.080 3.473 3.030 3.747 . 0 0 "[ . 1]" 1
3 1 10 SER H 1 10 SER HB2 . . 3.920 2.856 2.727 3.393 . 0 0 "[ . 1]" 1
4 1 10 SER HB2 1 11 LEU H . . 3.920 4.056 3.930 4.165 0.245 5 0 "[ . 1]" 1
5 1 86 VAL H 1 86 VAL QG . . 3.040 2.449 2.152 2.564 . 0 0 "[ . 1]" 1
6 1 86 VAL QG 1 88 LEU H . . 4.640 4.056 3.812 4.304 . 0 0 "[ . 1]" 1
7 1 86 VAL QG 1 87 CYS H . . 3.570 2.437 2.243 2.608 . 0 0 "[ . 1]" 1
8 1 86 VAL QG 1 101 SER HA . . 3.420 2.638 2.422 2.945 . 0 0 "[ . 1]" 1
9 1 86 VAL HA 1 86 VAL QG . . 3.290 2.217 2.137 2.516 . 0 0 "[ . 1]" 1
10 1 86 VAL QG 1 101 SER HB3 . . 3.420 3.101 2.604 3.296 . 0 0 "[ . 1]" 1
11 1 12 LEU HA 1 102 ILE MD . . 4.090 3.976 3.585 4.188 0.098 4 0 "[ . 1]" 1
12 1 79 TRP HH2 1 102 ILE MD . . 4.550 3.177 2.748 3.496 . 0 0 "[ . 1]" 1
13 1 102 ILE MD 1 103 ARG H . . 3.980 3.003 2.672 4.008 0.028 7 0 "[ . 1]" 1
14 1 102 ILE HB 1 102 ILE MD . . 3.290 2.302 2.264 2.332 . 0 0 "[ . 1]" 1
15 1 104 LYS QE 1 104 LYS QG . . 3.470 2.365 2.107 2.649 . 0 0 "[ . 1]" 1
16 1 28 VAL QG 1 71 LYS HA . . 3.800 2.490 2.318 2.601 . 0 0 "[ . 1]" 1
17 1 28 VAL H 1 28 VAL QG . . 3.550 2.828 2.164 2.981 . 0 0 "[ . 1]" 1
18 1 28 VAL QG 1 29 CYS H . . 3.600 2.617 2.539 3.033 . 0 0 "[ . 1]" 1
19 1 28 VAL HA 1 28 VAL QG . . 3.070 2.162 2.100 2.537 . 0 0 "[ . 1]" 1
20 1 89 VAL H 1 89 VAL QG . . 3.210 2.779 2.269 2.986 . 0 0 "[ . 1]" 1
21 1 89 VAL HA 1 89 VAL QG . . 3.200 2.155 2.115 2.342 . 0 0 "[ . 1]" 1
22 1 77 SER HA 1 80 ASP HB3 . . 3.970 2.398 2.133 2.753 . 0 0 "[ . 1]" 1
23 1 77 SER HA 1 80 ASP HB2 . . 3.970 3.485 3.251 3.790 . 0 0 "[ . 1]" 1
24 1 31 ILE HB 1 31 ILE MD . . 3.340 2.834 2.231 3.214 . 0 0 "[ . 1]" 1
25 1 31 ILE H 1 31 ILE MD . . 3.780 2.149 1.892 3.110 . 0 0 "[ . 1]" 1
26 1 30 GLU HA 1 31 ILE MD . . 3.790 3.025 2.613 3.932 0.142 4 0 "[ . 1]" 1
27 1 44 GLN HA 1 48 VAL H . . 5.500 4.992 4.758 5.147 . 0 0 "[ . 1]" 1
28 1 44 GLN HA 1 44 GLN QG . . 3.930 2.671 2.352 3.354 . 0 0 "[ . 1]" 1
29 1 44 GLN HA 1 45 VAL QG . . 4.350 3.409 3.120 3.531 . 0 0 "[ . 1]" 1
30 1 100 ALA HA 1 101 SER HB3 . . 4.490 4.470 4.187 4.560 0.070 7 0 "[ . 1]" 1
31 1 43 TRP HH2 1 71 LYS HA . . 5.290 4.651 4.333 4.936 . 0 0 "[ . 1]" 1
32 1 28 VAL HA 1 71 LYS HA . . 3.890 2.247 2.082 2.454 . 0 0 "[ . 1]" 1
33 1 9 VAL HA 1 31 ILE HA . . 3.810 2.491 2.303 2.699 . 0 0 "[ . 1]" 1
34 1 31 ILE HA 1 31 ILE HG12 . . 4.250 3.675 3.293 3.912 . 0 0 "[ . 1]" 1
35 1 87 CYS H 1 87 CYS HB2 . . 4.120 3.168 3.035 3.777 . 0 0 "[ . 1]" 1
36 1 43 TRP HA 1 87 CYS HB2 . . 5.430 4.561 4.411 4.770 . 0 0 "[ . 1]" 1
37 1 87 CYS HB2 1 100 ALA MB . . 4.960 4.810 4.570 4.979 0.019 4 0 "[ . 1]" 1
38 1 33 TYR HA 1 34 SER HB2 . . 5.500 4.537 4.078 5.532 0.032 3 0 "[ . 1]" 1
39 1 33 TYR HA 1 34 SER HB3 . . 5.500 4.643 4.339 5.541 0.041 9 0 "[ . 1]" 1
40 1 34 SER HB2 1 35 ASP H . . 4.280 3.814 2.843 4.224 . 0 0 "[ . 1]" 1
41 1 34 SER HB2 1 65 LYS QE . . 5.500 3.913 2.965 4.768 . 0 0 "[ . 1]" 1
42 1 34 SER HB3 1 65 LYS QE . . 5.500 4.220 3.731 4.944 . 0 0 "[ . 1]" 1
43 1 86 VAL QG 1 99 LYS QD . . 3.540 3.118 2.464 3.519 . 0 0 "[ . 1]" 1
44 1 88 LEU QD 1 99 LYS QD . . 3.970 3.099 2.386 3.590 . 0 0 "[ . 1]" 1
45 1 99 LYS HA 1 99 LYS QD . . 4.630 4.414 4.237 4.515 . 0 0 "[ . 1]" 1
46 1 98 VAL HA 1 98 VAL MG1 . . 3.260 2.520 2.306 3.221 . 0 0 "[ . 1]" 1
47 1 91 ASP HB2 1 94 LEU HG . . 4.170 3.777 3.414 4.135 . 0 0 "[ . 1]" 1
48 1 16 PHE HA 1 16 PHE QD . . 4.480 2.713 2.397 2.978 . 0 0 "[ . 1]" 1
49 1 83 THR H 1 83 THR HB . . 3.870 2.436 2.218 2.559 . 0 0 "[ . 1]" 1
50 1 83 THR HB 1 84 GLU H . . 4.200 4.030 3.869 4.212 0.012 5 0 "[ . 1]" 1
51 1 75 MET HA 1 76 ALA H . . 3.560 2.137 2.072 2.208 . 0 0 "[ . 1]" 1
52 1 94 LEU HB3 1 96 THR H . . 4.510 3.974 2.724 5.015 0.505 8 1 "[ . + 1]" 1
53 1 94 LEU HB3 1 94 LEU QD . . 3.270 2.170 2.101 2.217 . 0 0 "[ . 1]" 1
54 1 88 LEU QD 1 97 PRO HB2 . . 3.770 2.260 1.747 2.608 . 0 0 "[ . 1]" 1
55 1 97 PRO HB2 1 98 VAL H . . 3.950 3.053 2.937 3.206 . 0 0 "[ . 1]" 1
56 1 51 LYS HA 1 51 LYS QD . . 3.420 2.254 1.728 3.190 . 0 0 "[ . 1]" 1
57 1 51 LYS HA 1 51 LYS QG . . 3.390 2.687 2.314 2.946 . 0 0 "[ . 1]" 1
58 1 48 VAL H 1 48 VAL QG . . 3.120 2.194 1.958 2.299 . 0 0 "[ . 1]" 1
59 1 48 VAL QG 1 49 GLU H . . 3.820 2.572 2.287 3.370 . 0 0 "[ . 1]" 1
60 1 48 VAL HA 1 48 VAL QG . . 3.110 2.193 2.133 2.296 . 0 0 "[ . 1]" 1
61 1 75 MET HA 1 76 ALA MB . . 4.350 3.983 3.927 4.051 . 0 0 "[ . 1]" 1
62 1 102 ILE MG 1 103 ARG HA . . 4.590 3.651 3.398 3.949 . 0 0 "[ . 1]" 1
63 1 24 THR HA 1 76 ALA MB . . 3.820 3.189 2.780 3.849 0.029 8 0 "[ . 1]" 1
64 1 85 TYR QD 1 102 ILE MG . . 4.250 3.264 2.580 3.596 . 0 0 "[ . 1]" 1
65 1 85 TYR H 1 102 ILE MG . . 4.110 2.863 2.735 2.964 . 0 0 "[ . 1]" 1
66 1 101 SER HA 1 102 ILE MG . . 4.410 3.752 3.676 3.872 . 0 0 "[ . 1]" 1
67 1 85 TYR HB3 1 102 ILE MG . . 3.560 2.527 2.020 2.776 . 0 0 "[ . 1]" 1
68 1 85 TYR HB2 1 102 ILE MG . . 3.760 1.931 1.689 2.210 . 0 0 "[ . 1]" 1
69 1 93 GLU HA 1 93 GLU HG3 . . 3.840 3.656 3.190 3.795 . 0 0 "[ . 1]" 1
70 1 19 ILE HA 1 19 ILE MG . . 3.380 2.798 2.343 3.218 . 0 0 "[ . 1]" 1
71 1 19 ILE H 1 19 ILE MG . . 4.600 2.896 1.943 3.824 . 0 0 "[ . 1]" 1
72 1 19 ILE HB 1 20 TRP HD1 . . 4.990 4.793 2.745 6.764 1.774 1 5 "[+ *. *-*]" 1
73 1 59 PRO HG2 1 68 ILE MD . . 4.340 3.993 3.170 4.390 0.050 6 0 "[ . 1]" 1
74 1 12 LEU H 1 12 LEU QD . . 4.450 3.758 3.402 3.899 . 0 0 "[ . 1]" 1
75 1 57 GLN QG 1 58 ASN H . . 4.010 3.825 3.705 3.933 . 0 0 "[ . 1]" 1
76 1 57 GLN QG 1 69 VAL H . . 5.500 4.767 4.259 5.219 . 0 0 "[ . 1]" 1
77 1 57 GLN QG 1 69 VAL QG . . 3.800 3.087 2.678 3.547 . 0 0 "[ . 1]" 1
78 1 57 GLN HA 1 57 GLN QG . . 3.330 2.404 2.318 2.448 . 0 0 "[ . 1]" 1
79 1 57 GLN H 1 57 GLN QG . . 3.480 2.639 2.522 2.788 . 0 0 "[ . 1]" 1
80 1 102 ILE HA 1 102 ILE MD . . 3.960 2.554 2.082 3.638 . 0 0 "[ . 1]" 1
81 1 102 ILE HA 1 102 ILE HG12 . . 3.790 3.646 3.148 3.776 . 0 0 "[ . 1]" 1
82 1 102 ILE HA 1 102 ILE HG13 . . 3.890 2.655 2.277 2.782 . 0 0 "[ . 1]" 1
83 1 102 ILE HA 1 103 ARG H . . 3.340 2.234 2.168 2.306 . 0 0 "[ . 1]" 1
84 1 39 ILE HA 1 40 LYS H . . 3.030 2.164 2.082 2.203 . 0 0 "[ . 1]" 1
85 1 39 ILE HA 1 39 ILE HG13 . . 3.850 2.535 2.255 3.803 . 0 0 "[ . 1]" 1
86 1 39 ILE HA 1 39 ILE HG12 . . 3.850 3.186 2.613 3.487 . 0 0 "[ . 1]" 1
87 1 57 GLN HB3 1 58 ASN H . . 4.080 2.515 2.192 2.794 . 0 0 "[ . 1]" 1
88 1 57 GLN H 1 57 GLN HB3 . . 4.080 3.638 3.600 3.700 . 0 0 "[ . 1]" 1
89 1 74 VAL HB 1 75 MET H . . 3.760 3.198 2.402 4.027 0.267 8 0 "[ . 1]" 1
90 1 11 LEU QD 1 102 ILE H . . 3.920 3.143 2.795 3.598 . 0 0 "[ . 1]" 1
91 1 11 LEU QD 1 87 CYS HB2 . . 3.950 2.580 2.115 3.451 . 0 0 "[ . 1]" 1
92 1 11 LEU QD 1 102 ILE HB . . 3.020 2.009 1.717 2.864 . 0 0 "[ . 1]" 1
93 1 10 SER HA 1 11 LEU QD . . 5.500 4.274 2.790 5.079 . 0 0 "[ . 1]" 1
94 1 11 LEU QD 1 102 ILE HA . . 5.500 3.177 2.783 3.856 . 0 0 "[ . 1]" 1
95 1 11 LEU QD 1 29 CYS HB2 . . 3.860 2.258 1.956 2.506 . 0 0 "[ . 1]" 1
96 1 11 LEU QD 1 29 CYS HA . . 3.460 2.214 1.854 2.626 . 0 0 "[ . 1]" 1
97 1 11 LEU QD 1 87 CYS HB3 . . 3.560 2.130 1.753 2.575 . 0 0 "[ . 1]" 1
98 1 11 LEU QD 1 29 CYS HB3 . . 3.860 3.566 3.344 3.785 . 0 0 "[ . 1]" 1
99 1 11 LEU QD 1 30 GLU H . . 4.250 3.775 3.406 4.225 . 0 0 "[ . 1]" 1
100 1 11 LEU QD 1 43 TRP HH2 . . 4.550 2.752 2.323 3.065 . 0 0 "[ . 1]" 1
101 1 11 LEU QD 1 43 TRP HZ3 . . 3.670 3.068 2.742 3.578 . 0 0 "[ . 1]" 1
102 1 11 LEU QD 1 101 SER H . . 3.670 3.266 3.071 3.401 . 0 0 "[ . 1]" 1
103 1 11 LEU HA 1 11 LEU QD . . 3.370 2.019 1.934 2.199 . 0 0 "[ . 1]" 1
104 1 105 ALA H 1 105 ALA MB . . 3.130 2.636 2.232 2.990 . 0 0 "[ . 1]" 1
105 1 79 TRP HA 1 79 TRP HZ3 . . 4.660 4.589 4.401 4.741 0.081 3 0 "[ . 1]" 1
106 1 94 LEU HB2 1 96 THR H . . 5.030 3.481 2.879 4.359 . 0 0 "[ . 1]" 1
107 1 81 SER H 1 81 SER HB2 . . 4.100 2.589 2.438 2.774 . 0 0 "[ . 1]" 1
108 1 7 ILE MD 1 34 SER H . . 5.500 5.232 4.805 5.519 0.019 3 0 "[ . 1]" 1
109 1 7 ILE MD 1 33 TYR HB3 . . 4.220 2.458 1.943 2.756 . 0 0 "[ . 1]" 1
110 1 7 ILE MD 1 33 TYR HA . . 4.650 3.932 3.354 4.400 . 0 0 "[ . 1]" 1
111 1 7 ILE MD 1 8 SER HA . . 4.630 4.238 4.011 4.450 . 0 0 "[ . 1]" 1
112 1 7 ILE HB 1 7 ILE MD . . 3.320 2.376 2.361 2.401 . 0 0 "[ . 1]" 1
113 1 7 ILE MD 1 8 SER H . . 4.290 2.395 2.086 2.609 . 0 0 "[ . 1]" 1
114 1 12 LEU HA 1 12 LEU QD . . 3.300 2.150 1.949 3.049 . 0 0 "[ . 1]" 1
115 1 79 TRP HH2 1 102 ILE HG12 . . 4.090 2.194 1.783 2.747 . 0 0 "[ . 1]" 1
116 1 102 ILE HG12 1 103 ARG H . . 3.940 3.613 2.634 3.969 0.029 8 0 "[ . 1]" 1
117 1 93 GLU HA 1 93 GLU HG2 . . 3.840 3.067 2.838 3.887 0.047 4 0 "[ . 1]" 1
118 1 93 GLU H 1 93 GLU HG2 . . 4.080 2.897 2.549 4.255 0.175 4 0 "[ . 1]" 1
119 1 36 LEU MD2 1 93 GLU HG2 . . 4.290 4.065 2.872 4.347 0.057 6 0 "[ . 1]" 1
120 1 19 ILE HB 1 19 ILE MD . . 3.450 2.490 2.388 3.234 . 0 0 "[ . 1]" 1
121 1 19 ILE HA 1 19 ILE MD . . 3.840 2.745 1.940 3.865 0.025 1 0 "[ . 1]" 1
122 1 94 LEU HA 1 95 PRO QD . . 3.330 1.868 1.729 1.974 . 0 0 "[ . 1]" 1
123 1 98 VAL H 1 98 VAL MG2 . . 3.220 2.681 2.073 3.898 0.678 2 2 "[-+ . 1]" 1
124 1 98 VAL HA 1 98 VAL MG2 . . 3.330 2.579 2.350 3.213 . 0 0 "[ . 1]" 1
125 1 31 ILE HB 1 68 ILE H . . 5.100 4.271 3.597 4.580 . 0 0 "[ . 1]" 1
126 1 29 CYS HB2 1 43 TRP HH2 . . 4.170 2.445 2.113 3.088 . 0 0 "[ . 1]" 1
127 1 88 LEU QD 1 97 PRO HG3 . . 4.330 3.752 3.512 3.953 . 0 0 "[ . 1]" 1
128 1 88 LEU QD 1 99 LYS HB2 . . 3.430 2.789 2.182 2.950 . 0 0 "[ . 1]" 1
129 1 42 PHE HD2 1 88 LEU QD . . 3.950 1.903 1.690 2.736 . 0 0 "[ . 1]" 1
130 1 88 LEU QD 1 99 LYS HA . . 3.990 3.174 1.771 3.580 . 0 0 "[ . 1]" 1
131 1 31 ILE HA 1 31 ILE HG13 . . 4.250 3.771 3.010 4.255 0.005 3 0 "[ . 1]" 1
132 1 31 ILE H 1 31 ILE HG13 . . 4.530 3.173 1.932 3.765 . 0 0 "[ . 1]" 1
133 1 33 TYR HB2 1 39 ILE MD . . 4.670 4.150 3.770 4.634 . 0 0 "[ . 1]" 1
134 1 39 ILE HA 1 39 ILE MD . . 4.050 3.407 2.317 3.852 . 0 0 "[ . 1]" 1
135 1 39 ILE MD 1 40 LYS H . . 5.160 4.862 4.006 5.061 . 0 0 "[ . 1]" 1
136 1 39 ILE HB 1 39 ILE MD . . 3.430 2.344 2.229 3.235 . 0 0 "[ . 1]" 1
137 1 33 TYR H 1 39 ILE MD . . 5.500 5.501 5.292 5.646 0.146 8 0 "[ . 1]" 1
138 1 38 ASN H 1 39 ILE MD . . 5.500 4.678 2.933 5.658 0.158 6 0 "[ . 1]" 1
139 1 36 LEU HB3 1 39 ILE MD . . 3.510 2.849 2.410 3.427 . 0 0 "[ . 1]" 1
140 1 39 ILE H 1 39 ILE MD . . 4.360 2.350 1.736 3.718 . 0 0 "[ . 1]" 1
141 1 69 VAL HA 1 69 VAL QG . . 3.320 2.253 2.128 2.472 . 0 0 "[ . 1]" 1
142 1 5 THR HA 1 6 ASP H . . 3.250 2.175 2.107 2.260 . 0 0 "[ . 1]" 1
143 1 5 THR HA 1 5 THR MG . . 3.330 2.834 2.251 3.215 . 0 0 "[ . 1]" 1
144 1 57 GLN HB2 1 58 ASN H . . 4.370 3.693 3.339 3.985 . 0 0 "[ . 1]" 1
145 1 57 GLN HB2 1 69 VAL QG . . 4.580 2.516 1.664 3.128 . 0 0 "[ . 1]" 1
146 1 42 PHE H 1 87 CYS HA . . 5.180 4.516 4.135 4.739 . 0 0 "[ . 1]" 1
147 1 87 CYS HA 1 88 LEU QD . . 4.600 3.476 3.035 4.564 . 0 0 "[ . 1]" 1
148 1 43 TRP HA 1 87 CYS HA . . 3.990 2.712 2.563 2.877 . 0 0 "[ . 1]" 1
149 1 87 CYS HA 1 88 LEU QB . . 4.700 4.179 3.517 4.335 . 0 0 "[ . 1]" 1
150 1 12 LEU H 1 29 CYS HA . . 4.690 3.297 2.930 3.848 . 0 0 "[ . 1]" 1
151 1 11 LEU HA 1 29 CYS HA . . 3.870 2.372 2.231 2.489 . 0 0 "[ . 1]" 1
152 1 42 PHE HB3 1 88 LEU H . . 4.590 3.338 3.052 3.610 . 0 0 "[ . 1]" 1
153 1 42 PHE HB3 1 88 LEU QD . . 4.370 2.862 1.717 3.741 . 0 0 "[ . 1]" 1
154 1 42 PHE HB3 1 88 LEU QB . . 4.120 2.174 1.868 3.525 . 0 0 "[ . 1]" 1
155 1 67 THR H 1 67 THR MG . . 4.350 3.909 3.885 3.923 . 0 0 "[ . 1]" 1
156 1 32 VAL HA 1 67 THR MG . . 4.130 3.305 2.961 3.492 . 0 0 "[ . 1]" 1
157 1 67 THR HA 1 67 THR MG . . 3.350 2.386 2.354 2.417 . 0 0 "[ . 1]" 1
158 1 31 ILE H 1 67 THR MG . . 4.550 3.626 3.394 4.093 . 0 0 "[ . 1]" 1
159 1 88 LEU QD 1 97 PRO HB3 . . 3.770 3.372 2.502 3.770 . 0 0 "[ . 1]" 1
160 1 97 PRO HB3 1 98 VAL H . . 3.950 3.674 3.558 3.779 . 0 0 "[ . 1]" 1
161 1 59 PRO HA 1 68 ILE MD . . 3.560 2.325 2.046 2.796 . 0 0 "[ . 1]" 1
162 1 7 ILE MG 1 8 SER HA . . 4.280 4.286 4.232 4.341 0.061 7 0 "[ . 1]" 1
163 1 7 ILE MG 1 8 SER H . . 4.150 4.204 4.115 4.251 0.101 7 0 "[ . 1]" 1
164 1 12 LEU H 1 12 LEU HG . . 4.750 4.174 2.873 4.826 0.076 1 0 "[ . 1]" 1
165 1 102 ILE HG13 1 102 ILE MG . . 3.710 2.718 2.537 3.190 . 0 0 "[ . 1]" 1
166 1 79 TRP HH2 1 102 ILE HG13 . . 4.970 2.373 1.863 3.495 . 0 0 "[ . 1]" 1
167 1 41 VAL H 1 41 VAL QG . . 3.250 2.346 1.913 2.534 . 0 0 "[ . 1]" 1
168 1 41 VAL QG 1 42 PHE H . . 3.470 2.362 2.262 2.497 . 0 0 "[ . 1]" 1
169 1 41 VAL QG 1 43 TRP HA . . 4.960 4.698 4.596 4.827 . 0 0 "[ . 1]" 1
170 1 94 LEU QD 1 96 THR H . . 4.550 3.082 2.531 3.846 . 0 0 "[ . 1]" 1
171 1 94 LEU H 1 94 LEU QD . . 4.060 3.051 2.795 3.394 . 0 0 "[ . 1]" 1
172 1 94 LEU HA 1 94 LEU QD . . 3.100 2.699 1.835 3.280 0.180 10 0 "[ . 1]" 1
173 1 43 TRP QB 1 72 LEU HG . . 4.050 3.329 3.207 3.457 . 0 0 "[ . 1]" 1
174 1 43 TRP HE3 1 72 LEU HG . . 3.910 3.266 3.079 3.478 . 0 0 "[ . 1]" 1
175 1 27 ILE H 1 72 LEU HG . . 5.500 5.348 5.129 5.528 0.028 6 0 "[ . 1]" 1
176 1 72 LEU HG 1 85 TYR QE . . 3.900 2.925 1.756 3.969 0.069 3 0 "[ . 1]" 1
177 1 56 THR HA 1 56 THR MG . . 3.300 2.276 2.217 2.351 . 0 0 "[ . 1]" 1
178 1 56 THR MG 1 57 GLN H . . 3.730 3.364 2.556 3.835 0.105 2 0 "[ . 1]" 1
179 1 56 THR MG 1 70 SER HA . . 3.780 3.302 2.758 3.829 0.049 9 0 "[ . 1]" 1
180 1 39 ILE HB 1 40 LYS H . . 4.500 4.021 3.918 4.274 . 0 0 "[ . 1]" 1
181 1 39 ILE HB 1 68 ILE MG . . 4.910 4.087 3.718 4.634 . 0 0 "[ . 1]" 1
182 1 39 ILE HB 1 68 ILE MD . . 5.410 4.682 4.173 5.365 . 0 0 "[ . 1]" 1
183 1 66 SER HA 1 67 THR HB . . 4.610 4.587 4.536 4.643 0.033 3 0 "[ . 1]" 1
184 1 44 GLN H 1 88 LEU QD . . 4.500 3.864 3.324 4.571 0.071 4 0 "[ . 1]" 1
185 1 42 PHE HZ 1 88 LEU QD . . 5.500 4.810 4.333 5.369 . 0 0 "[ . 1]" 1
186 1 88 LEU QD 1 97 PRO HG2 . . 3.550 3.494 3.147 3.609 0.059 9 0 "[ . 1]" 1
187 1 88 LEU QD 1 99 LYS HB3 . . 4.130 2.383 1.777 2.700 . 0 0 "[ . 1]" 1
188 1 88 LEU HA 1 88 LEU QD . . 4.180 2.872 1.861 3.368 . 0 0 "[ . 1]" 1
189 1 88 LEU QD 1 99 LYS H . . 5.140 4.395 3.062 4.811 . 0 0 "[ . 1]" 1
190 1 88 LEU QD 1 99 LYS QE . . 4.650 2.850 2.077 3.913 . 0 0 "[ . 1]" 1
191 1 43 TRP HA 1 88 LEU QD . . 4.220 3.753 3.263 4.279 0.059 4 0 "[ . 1]" 1
192 1 88 LEU HA 1 89 VAL QG . . 3.940 3.620 3.363 3.820 . 0 0 "[ . 1]" 1
193 1 7 ILE HA 1 7 ILE MD . . 3.890 2.232 2.183 2.268 . 0 0 "[ . 1]" 1
194 1 7 ILE HA 1 33 TYR HB3 . . 4.360 2.737 2.224 3.026 . 0 0 "[ . 1]" 1
195 1 7 ILE HA 1 7 ILE MG . . 3.390 3.171 3.152 3.192 . 0 0 "[ . 1]" 1
196 1 7 ILE HA 1 7 ILE QG . . 3.750 3.046 3.014 3.097 . 0 0 "[ . 1]" 1
197 1 7 ILE HA 1 33 TYR QD . . 4.740 3.854 3.324 4.733 . 0 0 "[ . 1]" 1
198 1 7 ILE HA 1 8 SER H . . 3.190 2.132 2.093 2.163 . 0 0 "[ . 1]" 1
199 1 7 ILE HA 1 33 TYR HB2 . . 4.500 4.230 3.449 4.591 0.091 8 0 "[ . 1]" 1
200 1 7 ILE HA 1 8 SER QB . . 4.490 4.315 3.997 4.488 . 0 0 "[ . 1]" 1
201 1 39 ILE MG 1 41 VAL H . . 4.780 3.865 3.719 4.186 . 0 0 "[ . 1]" 1
202 1 39 ILE HA 1 39 ILE MG . . 3.520 2.427 2.202 2.517 . 0 0 "[ . 1]" 1
203 1 39 ILE MG 1 40 LYS H . . 3.650 2.374 2.236 2.994 . 0 0 "[ . 1]" 1
204 1 39 ILE MG 1 40 LYS HA . . 4.350 3.525 3.312 3.782 . 0 0 "[ . 1]" 1
205 1 39 ILE H 1 39 ILE MG . . 4.000 3.739 3.675 3.874 . 0 0 "[ . 1]" 1
206 1 39 ILE MG 1 90 GLU H . . 4.570 2.853 2.325 3.959 . 0 0 "[ . 1]" 1
207 1 33 TYR QD 1 39 ILE MG . . 4.700 4.433 4.179 4.815 0.115 6 0 "[ . 1]" 1
208 1 33 TYR HA 1 34 SER H . . 3.410 2.426 2.321 2.532 . 0 0 "[ . 1]" 1
209 1 33 TYR HA 1 36 LEU MD1 . . 4.970 4.178 3.926 4.273 . 0 0 "[ . 1]" 1
210 1 33 TYR HA 1 33 TYR QD . . 4.030 3.700 3.677 3.751 . 0 0 "[ . 1]" 1
211 1 7 ILE HA 1 33 TYR HA . . 3.820 3.114 2.420 3.486 . 0 0 "[ . 1]" 1
212 1 7 ILE HB 1 33 TYR HA . . 5.430 4.602 3.847 5.253 . 0 0 "[ . 1]" 1
213 1 69 VAL HB 1 70 SER HA . . 5.500 5.111 4.685 5.687 0.187 8 0 "[ . 1]" 1
214 1 33 TYR HA 1 36 LEU HG . . 4.830 4.641 4.289 4.856 0.026 3 0 "[ . 1]" 1
215 1 12 LEU HA 1 12 LEU HG . . 3.940 3.108 2.447 3.694 . 0 0 "[ . 1]" 1
216 1 93 GLU HB2 1 94 LEU H . . 4.680 3.626 3.385 4.463 . 0 0 "[ . 1]" 1
217 1 36 LEU MD2 1 93 GLU HB2 . . 3.780 2.624 2.029 4.278 0.498 4 0 "[ . 1]" 1
218 1 103 ARG HB3 1 104 LYS H . . 4.420 3.540 2.549 4.055 . 0 0 "[ . 1]" 1
219 1 103 ARG HB3 1 103 ARG HD3 . . 4.090 2.975 2.454 3.714 . 0 0 "[ . 1]" 1
220 1 61 TRP H 1 61 TRP HB3 . . 4.040 3.146 2.576 3.719 . 0 0 "[ . 1]" 1
221 1 7 ILE HB 1 33 TYR HB2 . . 5.500 4.472 3.205 5.121 . 0 0 "[ . 1]" 1
222 1 101 SER HB2 1 102 ILE H . . 3.820 3.642 2.603 3.910 0.090 9 0 "[ . 1]" 1
223 1 86 VAL HB 1 101 SER HB2 . . 4.820 4.197 2.621 4.678 . 0 0 "[ . 1]" 1
224 1 86 VAL QG 1 101 SER HB2 . . 3.540 2.178 1.811 3.419 . 0 0 "[ . 1]" 1
225 1 101 SER H 1 101 SER HB2 . . 4.070 3.138 2.910 3.654 . 0 0 "[ . 1]" 1
226 1 86 VAL HA 1 101 SER HB2 . . 4.370 3.417 3.120 3.947 . 0 0 "[ . 1]" 1
227 1 5 THR MG 1 6 ASP H . . 4.110 3.877 3.406 4.240 0.130 3 0 "[ . 1]" 1
228 1 27 ILE H 1 27 ILE HG12 . . 4.550 2.977 2.072 3.888 . 0 0 "[ . 1]" 1
229 1 27 ILE HB 1 28 VAL H . . 4.810 3.800 3.605 4.356 . 0 0 "[ . 1]" 1
230 1 27 ILE HB 1 72 LEU H . . 4.930 3.680 3.328 4.020 . 0 0 "[ . 1]" 1
231 1 27 ILE H 1 27 ILE HB . . 4.000 2.650 2.550 2.735 . 0 0 "[ . 1]" 1
232 1 27 ILE HB 1 28 VAL HA . . 4.840 4.478 4.274 4.837 . 0 0 "[ . 1]" 1
233 1 23 GLN HA 1 23 GLN QG . . 3.620 2.737 2.319 3.343 . 0 0 "[ . 1]" 1
234 1 56 THR HA 1 71 LYS H . . 4.040 3.575 3.124 3.873 . 0 0 "[ . 1]" 1
235 1 56 THR HA 1 57 GLN H . . 3.330 2.176 2.142 2.203 . 0 0 "[ . 1]" 1
236 1 56 THR HA 1 70 SER HA . . 3.360 2.363 2.098 2.560 . 0 0 "[ . 1]" 1
237 1 103 ARG HB2 1 103 ARG HD3 . . 4.090 2.812 2.428 3.736 . 0 0 "[ . 1]" 1
238 1 45 VAL QG 1 83 THR HB . . 3.810 3.831 3.776 3.952 0.142 9 0 "[ . 1]" 1
239 1 45 VAL QG 1 85 TYR QE . . 3.630 2.390 2.162 2.584 . 0 0 "[ . 1]" 1
240 1 45 VAL QG 1 84 GLU H . . 3.710 3.543 3.149 3.794 0.084 1 0 "[ . 1]" 1
241 1 12 LEU H 1 12 LEU HB2 . . 4.040 2.873 2.571 3.045 . 0 0 "[ . 1]" 1
242 1 104 LYS QG 1 105 ALA H . . 3.840 2.919 2.376 3.199 . 0 0 "[ . 1]" 1
243 1 74 VAL QG 1 85 TYR QE . . 3.590 2.225 1.775 2.658 . 0 0 "[ . 1]" 1
244 1 43 TRP HA 1 87 CYS HB3 . . 5.500 5.469 4.261 5.712 0.212 7 0 "[ . 1]" 1
245 1 87 CYS HB3 1 101 SER HA . . 5.500 5.112 4.899 5.535 0.035 8 0 "[ . 1]" 1
246 1 86 VAL HA 1 87 CYS HB3 . . 4.900 4.359 4.223 4.503 . 0 0 "[ . 1]" 1
247 1 87 CYS HB3 1 100 ALA MB . . 4.360 3.416 3.012 4.423 0.063 8 0 "[ . 1]" 1
248 1 40 LYS HB2 1 41 VAL H . . 5.130 4.256 4.126 4.399 . 0 0 "[ . 1]" 1
249 1 40 LYS HB3 1 41 VAL H . . 5.130 4.105 3.100 4.322 . 0 0 "[ . 1]" 1
250 1 88 LEU HA 1 88 LEU HG . . 4.150 2.757 2.373 3.645 . 0 0 "[ . 1]" 1
251 1 88 LEU HG 1 99 LYS QE . . 5.500 4.204 2.828 5.263 . 0 0 "[ . 1]" 1
252 1 101 SER HA 1 102 ILE H . . 3.120 2.292 2.209 2.410 . 0 0 "[ . 1]" 1
253 1 86 VAL HB 1 101 SER HA . . 5.010 4.179 2.117 4.931 . 0 0 "[ . 1]" 1
254 1 86 VAL HA 1 101 SER HA . . 3.440 1.935 1.812 2.074 . 0 0 "[ . 1]" 1
255 1 60 GLU HA 1 61 TRP H . . 3.420 2.242 2.162 2.349 . 0 0 "[ . 1]" 1
256 1 42 PHE H 1 88 LEU QB . . 4.600 3.479 3.001 4.315 . 0 0 "[ . 1]" 1
257 1 42 PHE HD2 1 88 LEU QB . . 4.700 2.653 1.826 4.443 . 0 0 "[ . 1]" 1
258 1 91 ASP HB3 1 94 LEU HG . . 4.170 2.216 1.802 2.671 . 0 0 "[ . 1]" 1
259 1 29 CYS HB3 1 43 TRP HH2 . . 4.170 3.493 3.050 4.091 . 0 0 "[ . 1]" 1
260 1 29 CYS HB3 1 43 TRP HZ2 . . 4.160 2.102 1.866 2.396 . 0 0 "[ . 1]" 1
261 1 86 VAL QG 1 99 LYS HB2 . . 3.730 2.318 2.124 2.659 . 0 0 "[ . 1]" 1
262 1 88 LEU HA 1 99 LYS HB2 . . 4.500 4.042 3.610 4.518 0.018 7 0 "[ . 1]" 1
263 1 76 ALA MB 1 77 SER HA . . 3.880 3.825 3.702 3.945 0.065 4 0 "[ . 1]" 1
264 1 76 ALA H 1 76 ALA MB . . 3.570 2.215 2.202 2.232 . 0 0 "[ . 1]" 1
265 1 76 ALA MB 1 77 SER H . . 4.120 2.474 2.265 2.714 . 0 0 "[ . 1]" 1
266 1 25 ALA HA 1 26 THR H . . 3.540 3.104 2.886 3.605 0.065 6 0 "[ . 1]" 1
267 1 33 TYR QD 1 66 SER HB3 . . 4.570 4.007 3.699 4.554 . 0 0 "[ . 1]" 1
268 1 96 THR HB 1 97 PRO HD3 . . 3.670 3.680 3.636 3.715 0.045 4 0 "[ . 1]" 1
269 1 95 PRO HB3 1 96 THR H . . 4.430 4.085 4.033 4.169 . 0 0 "[ . 1]" 1
270 1 27 ILE MD 1 102 ILE MG . . 3.660 2.536 2.000 3.045 . 0 0 "[ . 1]" 1
271 1 27 ILE MD 1 28 VAL H . . 4.570 4.324 3.764 4.724 0.154 8 0 "[ . 1]" 1
272 1 27 ILE MD 1 85 TYR QD . . 3.850 3.297 2.843 3.787 . 0 0 "[ . 1]" 1
273 1 27 ILE HB 1 27 ILE MD . . 3.380 2.821 2.395 3.237 . 0 0 "[ . 1]" 1
274 1 27 ILE MD 1 85 TYR QE . . 4.830 3.706 3.375 4.318 . 0 0 "[ . 1]" 1
275 1 27 ILE MD 1 85 TYR HB3 . . 4.380 3.853 2.883 4.475 0.095 6 0 "[ . 1]" 1
276 1 27 ILE HA 1 27 ILE MD . . 4.140 3.031 2.096 3.882 . 0 0 "[ . 1]" 1
277 1 27 ILE MD 1 74 VAL QG . . 3.610 2.542 2.148 2.756 . 0 0 "[ . 1]" 1
278 1 27 ILE H 1 27 ILE MD . . 4.000 3.577 3.062 4.009 0.009 8 0 "[ . 1]" 1
279 1 27 ILE MD 1 85 TYR HB2 . . 4.260 3.448 2.653 3.988 . 0 0 "[ . 1]" 1
280 1 103 ARG HB2 1 103 ARG HD2 . . 4.090 3.249 2.335 3.784 . 0 0 "[ . 1]" 1
281 1 103 ARG HB3 1 103 ARG HD2 . . 4.090 3.419 2.446 4.188 0.098 8 0 "[ . 1]" 1
282 1 51 LYS QE 1 51 LYS QG . . 3.470 2.311 2.120 2.778 . 0 0 "[ . 1]" 1
283 1 54 VAL HA 1 72 LEU QD . . 3.240 1.837 1.706 1.938 . 0 0 "[ . 1]" 1
284 1 43 TRP HD1 1 72 LEU QD . . 3.520 3.120 3.028 3.267 . 0 0 "[ . 1]" 1
285 1 43 TRP QB 1 72 LEU QD . . 4.380 2.674 2.552 2.803 . 0 0 "[ . 1]" 1
286 1 72 LEU HA 1 72 LEU QD . . 3.250 1.827 1.754 1.896 . 0 0 "[ . 1]" 1
287 1 43 TRP HA 1 72 LEU QD . . 4.800 4.720 4.635 4.793 . 0 0 "[ . 1]" 1
288 1 69 VAL H 1 69 VAL QG . . 3.520 2.284 1.868 2.532 . 0 0 "[ . 1]" 1
289 1 47 GLY H 1 48 VAL QG . . 4.540 4.307 4.024 4.410 . 0 0 "[ . 1]" 1
290 1 91 ASP HB2 1 94 LEU QD . . 3.960 3.237 2.880 3.455 . 0 0 "[ . 1]" 1
291 1 91 ASP HB3 1 94 LEU QD . . 3.960 2.393 2.223 2.632 . 0 0 "[ . 1]" 1
292 1 90 GLU HA 1 94 LEU QD . . 4.150 2.224 1.760 3.154 . 0 0 "[ . 1]" 1
293 1 94 LEU QD 1 95 PRO QD . . 3.380 2.755 2.354 3.118 . 0 0 "[ . 1]" 1
294 1 27 ILE H 1 72 LEU QD . . 4.990 4.246 4.117 4.477 . 0 0 "[ . 1]" 1
295 1 53 GLY H 1 72 LEU QD . . 5.290 4.619 4.472 4.736 . 0 0 "[ . 1]" 1
296 1 53 GLY HA2 1 72 LEU QD . . 4.600 4.318 4.147 4.433 . 0 0 "[ . 1]" 1
297 1 53 GLY HA3 1 72 LEU QD . . 4.600 3.423 3.324 3.541 . 0 0 "[ . 1]" 1
298 1 72 LEU QD 1 73 LYS H . . 3.480 2.287 2.111 2.503 . 0 0 "[ . 1]" 1
299 1 45 VAL QG 1 72 LEU QD . . 4.670 3.704 3.436 3.977 . 0 0 "[ . 1]" 1
300 1 54 VAL QG 1 72 LEU QD . . 4.970 2.131 1.353 2.531 . 0 0 "[ . 1]" 1
301 1 72 LEU QD 1 74 VAL HA . . 4.530 3.524 3.035 3.959 . 0 0 "[ . 1]" 1
302 1 48 VAL H 1 48 VAL HB . . 3.660 2.805 2.563 3.733 0.073 7 0 "[ . 1]" 1
303 1 48 VAL HB 1 49 GLU H . . 4.030 3.950 2.881 4.093 0.063 1 0 "[ . 1]" 1
304 1 67 THR H 1 67 THR HB . . 3.730 2.765 2.717 2.788 . 0 0 "[ . 1]" 1
305 1 32 VAL QG 1 67 THR HB . . 5.390 3.969 3.810 4.314 . 0 0 "[ . 1]" 1
306 1 67 THR HB 1 68 ILE MD . . 5.500 4.566 4.424 4.651 . 0 0 "[ . 1]" 1
307 1 67 THR HB 1 68 ILE H . . 4.600 4.197 4.122 4.260 . 0 0 "[ . 1]" 1
308 1 49 GLU H 1 49 GLU HG3 . . 4.680 3.053 1.983 4.493 . 0 0 "[ . 1]" 1
309 1 85 TYR HA 1 86 VAL H . . 3.300 2.133 2.107 2.150 . 0 0 "[ . 1]" 1
310 1 85 TYR HA 1 86 VAL HB . . 4.840 4.764 4.627 4.893 0.053 5 0 "[ . 1]" 1
311 1 85 TYR HA 1 85 TYR QD . . 4.040 2.892 2.731 3.033 . 0 0 "[ . 1]" 1
312 1 45 VAL QG 1 85 TYR HA . . 3.690 2.970 2.658 3.606 . 0 0 "[ . 1]" 1
313 1 45 VAL HA 1 85 TYR HA . . 3.940 3.159 2.664 3.571 . 0 0 "[ . 1]" 1
314 1 76 ALA HA 1 79 TRP HB2 . . 4.280 3.958 3.700 4.315 0.035 9 0 "[ . 1]" 1
315 1 76 ALA HA 1 79 TRP HB3 . . 4.280 2.907 2.605 3.265 . 0 0 "[ . 1]" 1
316 1 74 VAL QG 1 76 ALA HA . . 4.520 3.804 3.542 4.076 . 0 0 "[ . 1]" 1
317 1 80 ASP H 1 80 ASP HB3 . . 3.780 2.536 2.419 2.744 . 0 0 "[ . 1]" 1
318 1 42 PHE HB2 1 88 LEU QB . . 4.260 3.622 3.442 4.189 . 0 0 "[ . 1]" 1
319 1 54 VAL HA 1 55 GLU H . . 3.200 2.221 2.200 2.244 . 0 0 "[ . 1]" 1
320 1 32 VAL HA 1 67 THR HA . . 3.640 2.350 2.145 2.514 . 0 0 "[ . 1]" 1
321 1 32 VAL QG 1 67 THR HA . . 3.960 2.917 2.775 3.066 . 0 0 "[ . 1]" 1
322 1 67 THR HA 1 68 ILE MD . . 4.500 3.505 3.386 3.585 . 0 0 "[ . 1]" 1
323 1 33 TYR H 1 67 THR HA . . 3.990 3.451 3.174 3.618 . 0 0 "[ . 1]" 1
324 1 76 ALA MB 1 77 SER QB . . 4.930 4.124 3.732 4.471 . 0 0 "[ . 1]" 1
325 1 77 SER QB 1 78 GLU H . . 4.410 2.842 2.765 2.891 . 0 0 "[ . 1]" 1
326 1 85 TYR HB3 1 86 VAL H . . 4.760 3.486 3.294 3.688 . 0 0 "[ . 1]" 1
327 1 27 ILE MG 1 85 TYR HB3 . . 4.280 3.383 2.228 4.276 . 0 0 "[ . 1]" 1
328 1 86 VAL QG 1 99 LYS HB3 . . 3.790 3.465 3.237 3.854 0.064 7 0 "[ . 1]" 1
329 1 99 LYS HB3 1 100 ALA H . . 4.290 3.867 3.730 4.137 . 0 0 "[ . 1]" 1
330 1 88 LEU HA 1 99 LYS HB3 . . 4.530 3.547 2.981 4.291 . 0 0 "[ . 1]" 1
331 1 43 TRP QB 1 44 GLN H . . 4.220 3.065 3.024 3.147 . 0 0 "[ . 1]" 1
332 1 96 THR HB 1 97 PRO HG2 . . 4.240 3.830 3.645 4.098 . 0 0 "[ . 1]" 1
333 1 96 THR H 1 96 THR HB . . 4.030 3.817 3.785 3.870 . 0 0 "[ . 1]" 1
334 1 96 THR HB 1 97 PRO HD2 . . 3.670 2.236 2.130 2.355 . 0 0 "[ . 1]" 1
335 1 33 TYR QD 1 66 SER HB2 . . 4.570 2.637 2.300 3.370 . 0 0 "[ . 1]" 1
336 1 27 ILE H 1 27 ILE HG13 . . 4.550 3.097 2.212 4.115 . 0 0 "[ . 1]" 1
337 1 27 ILE HA 1 28 VAL H . . 3.490 2.331 2.196 2.405 . 0 0 "[ . 1]" 1
338 1 27 ILE HA 1 28 VAL QG . . 4.290 3.504 3.172 3.738 . 0 0 "[ . 1]" 1
339 1 3 ARG HA 1 3 ARG HG2 . . 4.200 3.137 2.303 3.857 . 0 0 "[ . 1]" 1
340 1 3 ARG HA 1 3 ARG HG3 . . 4.200 3.113 2.489 4.248 0.048 5 0 "[ . 1]" 1
341 1 36 LEU HA 1 36 LEU MD1 . . 4.260 3.766 3.712 3.932 . 0 0 "[ . 1]" 1
342 1 36 LEU MD1 1 91 ASP HB3 . . 4.290 2.914 2.500 3.299 . 0 0 "[ . 1]" 1
343 1 33 TYR HB2 1 36 LEU MD1 . . 4.190 2.095 1.948 2.200 . 0 0 "[ . 1]" 1
344 1 74 VAL QG 1 79 TRP H . . 4.100 3.331 2.927 3.875 . 0 0 "[ . 1]" 1
345 1 74 VAL QG 1 79 TRP HD1 . . 5.280 5.050 4.679 5.199 . 0 0 "[ . 1]" 1
346 1 73 LYS HA 1 74 VAL QG . . 4.380 3.425 3.151 3.751 . 0 0 "[ . 1]" 1
347 1 74 VAL QG 1 79 TRP HB2 . . 4.410 2.666 2.426 2.807 . 0 0 "[ . 1]" 1
348 1 74 VAL QG 1 79 TRP HB3 . . 4.410 3.655 3.333 3.814 . 0 0 "[ . 1]" 1
349 1 74 VAL H 1 74 VAL QG . . 4.230 2.231 2.130 2.434 . 0 0 "[ . 1]" 1
350 1 27 ILE H 1 74 VAL QG . . 3.470 2.788 2.360 3.245 . 0 0 "[ . 1]" 1
351 1 74 VAL QG 1 79 TRP HZ3 . . 5.430 5.028 4.679 5.215 . 0 0 "[ . 1]" 1
352 1 71 LYS HA 1 71 LYS HD2 . . 5.500 4.572 4.300 4.908 . 0 0 "[ . 1]" 1
353 1 71 LYS HA 1 71 LYS HD3 . . 5.500 4.788 4.214 5.521 0.021 6 0 "[ . 1]" 1
354 1 15 PRO HA 1 16 PHE H . . 3.420 2.339 2.135 2.685 . 0 0 "[ . 1]" 1
355 1 28 VAL QG 1 70 SER H . . 3.840 3.543 3.149 3.912 0.072 1 0 "[ . 1]" 1
356 1 32 VAL H 1 32 VAL QG . . 3.650 2.500 2.151 2.602 . 0 0 "[ . 1]" 1
357 1 32 VAL HA 1 32 VAL QG . . 3.200 2.169 2.128 2.423 . 0 0 "[ . 1]" 1
358 1 5 THR HB 1 6 ASP H . . 4.250 4.346 3.931 4.441 0.191 2 0 "[ . 1]" 1
359 1 73 LYS H 1 73 LYS HB2 . . 3.770 2.601 2.423 2.706 . 0 0 "[ . 1]" 1
360 1 54 VAL HB 1 72 LEU QD . . 3.980 2.415 1.826 3.526 . 0 0 "[ . 1]" 1
361 1 68 ILE HA 1 69 VAL H . . 3.260 2.158 2.105 2.206 . 0 0 "[ . 1]" 1
362 1 68 ILE HA 1 68 ILE MD . . 3.210 2.365 2.314 2.466 . 0 0 "[ . 1]" 1
363 1 68 ILE HA 1 68 ILE QG . . 3.830 2.398 2.324 2.439 . 0 0 "[ . 1]" 1
364 1 65 LYS HA 1 66 SER H . . 3.250 2.307 2.140 2.472 . 0 0 "[ . 1]" 1
365 1 79 TRP HD1 1 80 ASP HA . . 4.560 4.011 3.662 4.288 . 0 0 "[ . 1]" 1
366 1 80 ASP HA 1 104 LYS HD3 . . 4.060 3.142 1.792 4.196 0.136 5 0 "[ . 1]" 1
367 1 80 ASP HA 1 104 LYS HD2 . . 4.060 2.720 1.793 3.999 . 0 0 "[ . 1]" 1
368 1 68 ILE MG 1 69 VAL HA . . 4.010 3.437 3.301 3.555 . 0 0 "[ . 1]" 1
369 1 59 PRO HA 1 68 ILE MG . . 5.350 4.630 4.440 4.826 . 0 0 "[ . 1]" 1
370 1 68 ILE MG 1 70 SER H . . 4.370 3.731 3.568 4.115 . 0 0 "[ . 1]" 1
371 1 68 ILE HA 1 68 ILE MG . . 3.570 2.690 2.668 2.709 . 0 0 "[ . 1]" 1
372 1 11 LEU HA 1 12 LEU H . . 3.280 2.178 2.137 2.250 . 0 0 "[ . 1]" 1
373 1 43 TRP HA 1 43 TRP HE3 . . 4.190 3.677 3.510 3.804 . 0 0 "[ . 1]" 1
374 1 88 LEU HA 1 99 LYS HA . . 3.450 2.230 2.039 2.435 . 0 0 "[ . 1]" 1
375 1 98 VAL HA 1 99 LYS HA . . 4.490 4.394 4.368 4.429 . 0 0 "[ . 1]" 1
376 1 88 LEU HG 1 99 LYS HA . . 3.920 3.202 2.449 4.343 0.423 3 0 "[ . 1]" 1
377 1 85 TYR HB2 1 85 TYR QE . . 4.960 4.413 4.391 4.456 . 0 0 "[ . 1]" 1
378 1 71 LYS HB3 1 72 LEU H . . 4.840 3.427 2.706 4.101 . 0 0 "[ . 1]" 1
379 1 102 ILE HB 1 103 ARG H . . 4.430 4.061 3.986 4.126 . 0 0 "[ . 1]" 1
380 1 11 LEU HB2 1 102 ILE HB . . 4.610 3.577 2.426 4.731 0.121 2 0 "[ . 1]" 1
381 1 20 TRP H 1 20 TRP HB3 . . 3.960 3.588 2.755 3.727 . 0 0 "[ . 1]" 1
382 1 99 LYS H 1 99 LYS HG3 . . 4.330 3.190 3.012 3.348 . 0 0 "[ . 1]" 1
383 1 11 LEU H 1 11 LEU HB2 . . 3.940 2.473 2.312 2.794 . 0 0 "[ . 1]" 1
384 1 11 LEU HB2 1 12 LEU H . . 4.720 4.195 3.990 4.343 . 0 0 "[ . 1]" 1
385 1 24 THR HB 1 76 ALA MB . . 4.160 3.637 2.164 4.265 0.105 4 0 "[ . 1]" 1
386 1 95 PRO QD 1 96 THR H . . 3.670 2.084 1.591 2.718 . 0 0 "[ . 1]" 1
387 1 94 LEU H 1 95 PRO QD . . 4.860 4.326 4.284 4.349 . 0 0 "[ . 1]" 1
388 1 37 GLU HA 1 37 GLU HG2 . . 3.840 2.964 2.401 3.697 . 0 0 "[ . 1]" 1
389 1 37 GLU H 1 37 GLU HG2 . . 4.670 3.781 2.843 4.740 0.070 6 0 "[ . 1]" 1
390 1 45 VAL H 1 45 VAL QG . . 3.560 2.446 1.981 2.635 . 0 0 "[ . 1]" 1
391 1 54 VAL H 1 54 VAL QG . . 3.460 1.925 1.808 2.086 . 0 0 "[ . 1]" 1
392 1 43 TRP QB 1 45 VAL QG . . 3.910 3.466 3.235 3.721 . 0 0 "[ . 1]" 1
393 1 45 VAL HA 1 45 VAL QG . . 3.070 2.183 2.120 2.574 . 0 0 "[ . 1]" 1
394 1 36 LEU HA 1 36 LEU MD2 . . 3.220 2.060 1.949 2.332 . 0 0 "[ . 1]" 1
395 1 36 LEU MD2 1 93 GLU HG3 . . 4.290 3.554 3.139 4.194 . 0 0 "[ . 1]" 1
396 1 11 LEU QD 1 85 TYR HB3 . . 5.500 4.020 3.571 4.604 . 0 0 "[ . 1]" 1
397 1 11 LEU QD 1 101 SER HA . . 3.670 2.814 2.545 3.000 . 0 0 "[ . 1]" 1
398 1 11 LEU QD 1 85 TYR HB2 . . 5.240 4.471 4.080 4.961 . 0 0 "[ . 1]" 1
399 1 11 LEU QD 1 86 VAL HA . . 4.150 3.350 3.058 3.660 . 0 0 "[ . 1]" 1
400 1 27 ILE HB 1 72 LEU HB3 . . 4.600 2.692 2.030 3.394 . 0 0 "[ . 1]" 1
401 1 101 SER HB3 1 102 ILE H . . 3.990 3.809 3.668 3.964 . 0 0 "[ . 1]" 1
402 1 86 VAL HA 1 101 SER HB3 . . 5.000 4.376 3.604 4.662 . 0 0 "[ . 1]" 1
403 1 8 SER QB 1 32 VAL HB . . 3.650 2.212 1.763 3.983 0.333 3 0 "[ . 1]" 1
404 1 8 SER QB 1 32 VAL QG . . 4.050 2.671 1.596 3.065 . 0 0 "[ . 1]" 1
405 1 8 SER QB 1 31 ILE HA . . 4.970 4.345 3.943 4.893 . 0 0 "[ . 1]" 1
406 1 8 SER H 1 8 SER QB . . 3.540 2.585 2.508 2.665 . 0 0 "[ . 1]" 1
407 1 84 GLU H 1 84 GLU HB2 . . 3.910 2.663 2.481 3.562 . 0 0 "[ . 1]" 1
408 1 28 VAL H 1 28 VAL HB . . 3.990 2.774 2.543 3.821 . 0 0 "[ . 1]" 1
409 1 61 TRP HA 1 61 TRP HE3 . . 3.770 3.174 2.205 3.858 0.088 2 0 "[ . 1]" 1
410 1 61 TRP HA 1 61 TRP HD1 . . 4.550 4.155 3.676 4.618 0.068 2 0 "[ . 1]" 1
411 1 28 VAL QG 1 71 LYS QG . . 3.940 2.173 1.694 3.710 . 0 0 "[ . 1]" 1
412 1 42 PHE HA 1 43 TRP H . . 3.230 2.228 2.192 2.277 . 0 0 "[ . 1]" 1
413 1 42 PHE HA 1 42 PHE HE1 . . 4.630 4.545 4.148 4.791 0.161 7 0 "[ . 1]" 1
414 1 42 PHE HA 1 42 PHE HD1 . . 4.210 2.280 1.786 2.548 . 0 0 "[ . 1]" 1
415 1 33 TYR QD 1 68 ILE QG . . 4.960 4.993 4.674 5.075 0.115 1 0 "[ . 1]" 1
416 1 79 TRP HH2 1 104 LYS HA . . 4.350 3.270 2.849 3.607 . 0 0 "[ . 1]" 1
417 1 102 ILE HG12 1 104 LYS HA . . 5.360 5.244 4.881 5.418 0.058 6 0 "[ . 1]" 1
418 1 104 LYS HA 1 104 LYS QG . . 3.220 2.470 2.368 2.561 . 0 0 "[ . 1]" 1
419 1 79 TRP HZ2 1 104 LYS HA . . 3.830 2.677 2.452 2.876 . 0 0 "[ . 1]" 1
420 1 78 GLU HA 1 83 THR MG . . 4.300 3.655 3.092 4.333 0.033 7 0 "[ . 1]" 1
421 1 45 VAL QG 1 78 GLU HA . . 5.500 5.411 5.145 5.552 0.052 1 0 "[ . 1]" 1
422 1 78 GLU HA 1 78 GLU HG3 . . 3.640 3.173 2.867 3.807 0.167 9 0 "[ . 1]" 1
423 1 98 VAL HA 1 99 LYS HB3 . . 4.530 4.434 4.096 4.593 0.063 3 0 "[ . 1]" 1
424 1 11 LEU HB3 1 102 ILE HB . . 4.610 3.054 2.482 4.152 . 0 0 "[ . 1]" 1
425 1 49 GLU H 1 49 GLU HB3 . . 3.730 3.171 2.475 3.601 . 0 0 "[ . 1]" 1
426 1 28 VAL HA 1 29 CYS H . . 3.500 2.129 2.095 2.179 . 0 0 "[ . 1]" 1
427 1 7 ILE MD 1 33 TYR HB2 . . 3.900 3.741 3.123 3.982 0.082 5 0 "[ . 1]" 1
428 1 33 TYR HB2 1 36 LEU MD2 . . 3.400 3.555 3.471 3.748 0.348 8 0 "[ . 1]" 1
429 1 4 GLN QG 1 5 THR MG . . 3.830 3.776 3.243 4.046 0.216 8 0 "[ . 1]" 1
430 1 100 ALA H 1 100 ALA MB . . 3.470 2.740 2.695 2.811 . 0 0 "[ . 1]" 1
431 1 100 ALA MB 1 101 SER H . . 3.240 2.932 2.777 3.188 . 0 0 "[ . 1]" 1
432 1 99 LYS HA 1 100 ALA MB . . 4.180 3.931 3.877 4.027 . 0 0 "[ . 1]" 1
433 1 36 LEU MD2 1 93 GLU HB3 . . 4.280 3.296 2.620 3.893 . 0 0 "[ . 1]" 1
434 1 27 ILE H 1 27 ILE MG . . 4.640 3.833 3.792 3.885 . 0 0 "[ . 1]" 1
435 1 27 ILE MG 1 28 VAL H . . 3.690 2.236 1.980 2.959 . 0 0 "[ . 1]" 1
436 1 27 ILE MG 1 43 TRP HH2 . . 5.080 2.542 2.212 3.041 . 0 0 "[ . 1]" 1
437 1 27 ILE MG 1 43 TRP HZ3 . . 3.150 2.456 1.879 3.045 . 0 0 "[ . 1]" 1
438 1 27 ILE MG 1 85 TYR HB2 . . 4.370 3.655 2.597 4.268 . 0 0 "[ . 1]" 1
439 1 14 PRO HD3 1 27 ILE MG . . 4.590 2.983 2.337 3.916 . 0 0 "[ . 1]" 1
440 1 27 ILE MD 1 27 ILE MG . . 3.280 1.906 1.833 2.004 . 0 0 "[ . 1]" 1
441 1 14 PRO HD2 1 79 TRP HH2 . . 4.860 3.774 3.468 4.098 . 0 0 "[ . 1]" 1
442 1 14 PRO HD3 1 79 TRP HH2 . . 4.950 4.807 4.440 4.993 0.043 6 0 "[ . 1]" 1
443 1 14 PRO HD2 1 79 TRP HZ2 . . 4.650 2.775 2.565 2.949 . 0 0 "[ . 1]" 1
444 1 39 ILE MD 1 68 ILE MD . . 3.650 3.191 2.827 3.701 0.051 6 0 "[ . 1]" 1
445 1 68 ILE HB 1 68 ILE MD . . 3.220 2.466 2.408 2.506 . 0 0 "[ . 1]" 1
446 1 59 PRO HD3 1 68 ILE MD . . 4.150 3.568 3.296 3.809 . 0 0 "[ . 1]" 1
447 1 33 TYR QD 1 68 ILE MD . . 3.790 3.407 3.155 3.561 . 0 0 "[ . 1]" 1
448 1 68 ILE MD 1 69 VAL H . . 4.190 4.251 4.222 4.310 0.120 8 0 "[ . 1]" 1
449 1 31 ILE HA 1 31 ILE MG . . 3.070 2.165 2.105 2.209 . 0 0 "[ . 1]" 1
450 1 45 VAL H 1 45 VAL HB . . 3.310 2.760 2.587 3.486 0.176 2 0 "[ . 1]" 1
451 1 43 TRP HE1 1 70 SER HB3 . . 4.880 2.837 2.153 3.488 . 0 0 "[ . 1]" 1
452 1 43 TRP HE1 1 70 SER HB2 . . 4.880 3.221 2.190 3.804 . 0 0 "[ . 1]" 1
453 1 85 TYR HB3 1 86 VAL HA . . 4.440 4.369 4.131 4.556 0.116 3 0 "[ . 1]" 1
454 1 7 ILE MG 1 8 SER QB . . 5.400 5.292 4.769 5.466 0.066 2 0 "[ . 1]" 1
455 1 94 LEU HB3 1 95 PRO QD . . 3.460 2.895 2.517 3.129 . 0 0 "[ . 1]" 1
456 1 27 ILE HA 1 27 ILE MG . . 3.200 2.339 2.295 2.465 . 0 0 "[ . 1]" 1
457 1 31 ILE H 1 31 ILE MG . . 3.890 3.485 3.219 3.852 . 0 0 "[ . 1]" 1
458 1 29 CYS HA 1 31 ILE MG . . 5.500 5.186 4.643 5.678 0.178 7 0 "[ . 1]" 1
459 1 31 ILE MG 1 32 VAL HA . . 5.500 5.060 4.477 5.393 . 0 0 "[ . 1]" 1
460 1 27 ILE MG 1 28 VAL HA . . 4.230 3.721 3.639 4.001 . 0 0 "[ . 1]" 1
461 1 83 THR MG 1 84 GLU HA . . 4.920 4.133 3.865 4.389 . 0 0 "[ . 1]" 1
462 1 83 THR MG 1 85 TYR HB2 . . 5.110 4.661 3.881 5.202 0.092 7 0 "[ . 1]" 1
463 1 96 THR MG 1 97 PRO HD3 . . 3.990 3.791 3.639 3.940 . 0 0 "[ . 1]" 1
464 1 96 THR MG 1 97 PRO HD2 . . 3.990 2.904 2.724 3.161 . 0 0 "[ . 1]" 1
465 1 96 THR H 1 96 THR MG . . 3.370 3.306 3.177 3.397 0.027 4 0 "[ . 1]" 1
466 1 45 VAL QG 1 85 TYR QD . . 3.260 2.681 2.140 3.143 . 0 0 "[ . 1]" 1
467 1 43 TRP HD1 1 54 VAL QG . . 3.990 2.596 2.277 2.874 . 0 0 "[ . 1]" 1
468 1 24 THR MG 1 75 MET HA . . 4.000 3.668 2.294 4.063 0.063 8 0 "[ . 1]" 1
469 1 24 THR HA 1 24 THR MG . . 3.240 2.653 2.251 3.215 . 0 0 "[ . 1]" 1
470 1 24 THR H 1 24 THR MG . . 3.840 2.838 2.004 3.783 . 0 0 "[ . 1]" 1
471 1 24 THR MG 1 76 ALA H . . 4.120 3.515 2.114 4.166 0.046 2 0 "[ . 1]" 1
472 1 28 VAL QG 1 72 LEU H . . 3.530 3.389 3.275 3.464 . 0 0 "[ . 1]" 1
473 1 53 GLY H 1 54 VAL QG . . 4.090 3.145 2.938 3.789 . 0 0 "[ . 1]" 1
474 1 41 VAL QG 1 43 TRP HE1 . . 3.660 2.425 2.135 2.580 . 0 0 "[ . 1]" 1
475 1 41 VAL QG 1 42 PHE HB3 . . 4.840 4.444 4.340 4.548 . 0 0 "[ . 1]" 1
476 1 8 SER HA 1 9 VAL QG . . 3.650 3.542 3.466 3.613 . 0 0 "[ . 1]" 1
477 1 40 LYS HA 1 41 VAL QG . . 3.640 3.460 3.236 3.626 . 0 0 "[ . 1]" 1
478 1 94 LEU HB2 1 95 PRO QD . . 4.220 2.719 1.922 4.003 . 0 0 "[ . 1]" 1
479 1 33 TYR QD 1 68 ILE HB . . 4.610 4.574 3.586 4.727 0.117 3 0 "[ . 1]" 1
480 1 33 TYR QD 1 36 LEU HB2 . . 3.970 3.776 2.419 4.036 0.066 1 0 "[ . 1]" 1
481 1 36 LEU HB2 1 36 LEU MD1 . . 3.550 2.444 2.333 2.483 . 0 0 "[ . 1]" 1
482 1 36 LEU HB2 1 39 ILE MD . . 4.090 2.320 1.929 2.767 . 0 0 "[ . 1]" 1
483 1 86 VAL QG 1 87 CYS HB3 . . 4.730 4.309 4.096 4.613 . 0 0 "[ . 1]" 1
484 1 29 CYS HB2 1 43 TRP HZ2 . . 4.160 2.498 2.260 2.826 . 0 0 "[ . 1]" 1
485 1 86 VAL QG 1 87 CYS HB2 . . 5.210 4.760 4.538 5.085 . 0 0 "[ . 1]" 1
486 1 32 VAL QG 1 33 TYR H . . 3.250 2.563 2.349 2.631 . 0 0 "[ . 1]" 1
487 1 13 LYS HA 1 102 ILE MD . . 3.740 3.319 2.239 3.730 . 0 0 "[ . 1]" 1
488 1 13 LYS HD2 1 102 ILE MD . . 4.800 4.142 3.384 4.870 0.070 7 0 "[ . 1]" 1
489 1 14 PRO HD2 1 102 ILE MD . . 4.690 4.533 3.499 4.780 0.090 6 0 "[ . 1]" 1
490 1 13 LYS HD3 1 102 ILE MD . . 4.800 3.648 2.583 4.830 0.030 9 0 "[ . 1]" 1
491 1 14 PRO HD3 1 102 ILE MD . . 5.200 4.943 3.699 5.288 0.088 5 0 "[ . 1]" 1
492 1 13 LYS QG 1 102 ILE MD . . 3.800 3.399 3.027 3.859 0.059 8 0 "[ . 1]" 1
493 1 13 LYS QE 1 102 ILE MD . . 4.310 3.501 1.810 4.379 0.069 6 0 "[ . 1]" 1
494 1 59 PRO HD2 1 68 ILE MD . . 4.810 4.613 4.394 4.824 0.014 3 0 "[ . 1]" 1
495 1 58 ASN HA 1 68 ILE MD . . 4.960 5.042 4.937 5.097 0.137 5 0 "[ . 1]" 1
496 1 33 TYR H 1 68 ILE MD . . 4.920 4.648 4.414 4.767 . 0 0 "[ . 1]" 1
497 1 7 ILE H 1 7 ILE MD . . 4.500 4.389 4.351 4.435 . 0 0 "[ . 1]" 1
498 1 7 ILE MD 1 33 TYR QD . . 4.090 1.861 1.712 2.973 . 0 0 "[ . 1]" 1
499 1 11 LEU HA 1 102 ILE MD . . 4.520 4.373 3.844 4.572 0.052 2 0 "[ . 1]" 1
500 1 12 LEU H 1 102 ILE MD . . 4.520 4.191 3.583 4.501 . 0 0 "[ . 1]" 1
501 1 50 ARG HD3 1 72 LEU QD . . 4.120 3.049 1.773 4.012 . 0 0 "[ . 1]" 1
502 1 45 VAL QG 1 50 ARG HD3 . . 4.340 3.377 1.800 4.242 . 0 0 "[ . 1]" 1
503 1 45 VAL QG 1 50 ARG HD2 . . 4.340 3.284 1.792 4.248 . 0 0 "[ . 1]" 1
504 1 27 ILE HB 1 72 LEU HB2 . . 4.600 2.989 2.260 3.576 . 0 0 "[ . 1]" 1
505 1 33 TYR HB2 1 34 SER H . . 3.680 2.421 2.337 2.476 . 0 0 "[ . 1]" 1
506 1 74 VAL QG 1 85 TYR QD . . 4.080 3.487 3.123 3.868 . 0 0 "[ . 1]" 1
507 1 37 GLU HB3 1 38 ASN H . . 4.530 2.696 1.888 4.307 . 0 0 "[ . 1]" 1
508 1 43 TRP QB 1 85 TYR QD . . 4.260 3.325 2.761 3.926 . 0 0 "[ . 1]" 1
509 1 13 LYS HA 1 102 ILE MG . . 4.500 4.425 4.132 4.544 0.044 10 0 "[ . 1]" 1
510 1 13 LYS HA 1 102 ILE HG12 . . 4.000 3.569 3.088 4.142 0.142 7 0 "[ . 1]" 1
511 1 13 LYS HA 1 13 LYS QG . . 3.500 3.345 3.325 3.360 . 0 0 "[ . 1]" 1
512 1 13 LYS HA 1 14 PRO HD3 . . 3.290 2.273 2.150 2.511 . 0 0 "[ . 1]" 1
513 1 13 LYS HA 1 14 PRO HD2 . . 3.260 2.437 2.294 2.575 . 0 0 "[ . 1]" 1
514 1 13 LYS HA 1 79 TRP HH2 . . 4.630 4.206 3.720 4.515 . 0 0 "[ . 1]" 1
515 1 13 LYS HA 1 79 TRP HZ2 . . 4.670 4.267 3.858 4.669 . 0 0 "[ . 1]" 1
516 1 40 LYS HA 1 41 VAL H . . 2.810 2.179 2.141 2.221 . 0 0 "[ . 1]" 1
517 1 46 ASN HA 1 48 VAL H . . 4.270 4.205 4.127 4.304 0.034 7 0 "[ . 1]" 1
518 1 46 ASN HA 1 47 GLY H . . 3.340 2.826 2.728 2.887 . 0 0 "[ . 1]" 1
519 1 45 VAL QG 1 46 ASN HA . . 4.430 4.171 4.055 4.329 . 0 0 "[ . 1]" 1
520 1 32 VAL HA 1 33 TYR H . . 3.050 2.160 2.136 2.205 . 0 0 "[ . 1]" 1
521 1 33 TYR QD 1 67 THR HA . . 4.520 4.525 4.414 4.578 0.058 3 0 "[ . 1]" 1
522 1 67 THR HA 1 68 ILE HB . . 4.300 4.315 4.262 4.335 0.035 6 0 "[ . 1]" 1
523 1 58 ASN HA 1 59 PRO HD3 . . 3.120 2.197 1.855 2.432 . 0 0 "[ . 1]" 1
524 1 45 VAL QG 1 46 ASN HB3 . . 4.520 4.209 3.488 4.453 . 0 0 "[ . 1]" 1
525 1 46 ASN HB3 1 48 VAL QG . . 4.420 3.514 2.815 3.967 . 0 0 "[ . 1]" 1
526 1 45 VAL QG 1 46 ASN HB2 . . 4.520 2.891 2.525 3.347 . 0 0 "[ . 1]" 1
527 1 46 ASN HB2 1 48 VAL QG . . 4.420 3.167 2.213 4.176 . 0 0 "[ . 1]" 1
528 1 46 ASN HB2 1 48 VAL H . . 3.980 3.515 3.134 4.213 0.233 4 0 "[ . 1]" 1
529 1 46 ASN HB3 1 48 VAL H . . 3.980 3.974 3.177 4.105 0.125 3 0 "[ . 1]" 1
530 1 83 THR HA 1 84 GLU HG3 . . 4.520 3.691 3.205 4.609 0.089 3 0 "[ . 1]" 1
531 1 83 THR HA 1 84 GLU HG2 . . 4.520 4.509 4.004 4.583 0.063 2 0 "[ . 1]" 1
532 1 84 GLU H 1 84 GLU HG2 . . 3.900 3.145 2.117 3.428 . 0 0 "[ . 1]" 1
533 1 84 GLU HG2 1 85 TYR H . . 5.280 4.543 4.256 5.305 0.025 3 0 "[ . 1]" 1
534 1 84 GLU HG3 1 85 TYR H . . 5.280 5.099 4.531 5.277 . 0 0 "[ . 1]" 1
535 1 78 GLU H 1 78 GLU HG2 . . 4.580 3.670 2.121 4.582 0.002 3 0 "[ . 1]" 1
536 1 78 GLU H 1 78 GLU HG3 . . 4.580 3.624 2.418 4.462 . 0 0 "[ . 1]" 1
537 1 78 GLU HA 1 78 GLU HG2 . . 3.640 3.177 2.526 3.856 0.216 5 0 "[ . 1]" 1
538 1 75 MET H 1 75 MET HG3 . . 4.110 2.810 2.231 4.148 0.038 8 0 "[ . 1]" 1
539 1 39 ILE MG 1 89 VAL HB . . 4.220 4.094 3.883 4.236 0.016 7 0 "[ . 1]" 1
540 1 39 ILE MG 1 91 ASP HA . . 4.230 4.127 3.698 4.447 0.217 8 0 "[ . 1]" 1
541 1 39 ILE MG 1 89 VAL HA . . 4.220 3.317 2.982 4.146 . 0 0 "[ . 1]" 1
542 1 57 GLN H 1 68 ILE MG . . 4.220 3.600 3.375 3.778 . 0 0 "[ . 1]" 1
543 1 31 ILE MD 1 32 VAL H . . 5.030 4.941 4.762 5.134 0.104 4 0 "[ . 1]" 1
544 1 30 GLU HA 1 31 ILE H . . 3.010 2.148 2.105 2.186 . 0 0 "[ . 1]" 1
545 1 70 SER HA 1 71 LYS H . . 3.180 2.140 2.128 2.157 . 0 0 "[ . 1]" 1
546 1 32 VAL QG 1 33 TYR HA . . 3.860 3.312 3.248 3.501 . 0 0 "[ . 1]" 1
547 1 69 VAL QG 1 70 SER HA . . 4.210 3.476 3.220 3.708 . 0 0 "[ . 1]" 1
548 1 86 VAL QG 1 99 LYS HA . . 3.510 3.462 3.320 3.584 0.074 6 0 "[ . 1]" 1
549 1 6 ASP HB3 1 7 ILE H . . 4.450 3.964 3.638 4.314 . 0 0 "[ . 1]" 1
550 1 86 VAL HA 1 87 CYS H . . 3.080 2.190 2.152 2.227 . 0 0 "[ . 1]" 1
551 1 43 TRP HZ2 1 87 CYS HB2 . . 4.470 3.815 3.454 4.200 . 0 0 "[ . 1]" 1
552 1 43 TRP HZ3 1 87 CYS HB3 . . 5.450 4.971 3.747 5.451 0.001 1 0 "[ . 1]" 1
553 1 43 TRP HZ2 1 87 CYS HB3 . . 5.500 5.065 4.180 5.524 0.024 9 0 "[ . 1]" 1
554 1 7 ILE QG 1 8 SER H . . 3.690 3.282 2.964 3.557 . 0 0 "[ . 1]" 1
555 1 36 LEU MD1 1 91 ASP HB2 . . 4.290 3.052 2.674 3.457 . 0 0 "[ . 1]" 1
556 1 59 PRO HG3 1 68 ILE MD . . 3.670 2.965 1.960 3.701 0.031 7 0 "[ . 1]" 1
557 1 55 GLU H 1 72 LEU QD . . 4.300 3.264 2.742 3.514 . 0 0 "[ . 1]" 1
558 1 43 TRP H 1 72 LEU QD . . 5.070 4.709 4.555 4.849 . 0 0 "[ . 1]" 1
559 1 50 ARG HD2 1 72 LEU QD . . 4.120 2.813 1.870 3.689 . 0 0 "[ . 1]" 1
560 1 72 LEU QD 1 85 TYR QD . . 4.530 3.834 3.597 4.038 . 0 0 "[ . 1]" 1
561 1 72 LEU H 1 72 LEU QD . . 4.300 3.591 3.388 3.718 . 0 0 "[ . 1]" 1
562 1 61 TRP HB2 1 62 SER H . . 4.750 4.139 3.351 4.514 . 0 0 "[ . 1]" 1
563 1 61 TRP HB3 1 62 SER H . . 4.750 3.719 3.171 4.252 . 0 0 "[ . 1]" 1
564 1 56 THR HA 1 57 GLN QG . . 4.270 3.788 3.536 4.044 . 0 0 "[ . 1]" 1
565 1 103 ARG HB2 1 104 LYS H . . 4.420 3.320 2.563 4.121 . 0 0 "[ . 1]" 1
566 1 86 VAL HA 1 87 CYS HA . . 4.410 4.366 4.312 4.422 0.012 4 0 "[ . 1]" 1
567 1 92 SER HA 1 94 LEU H . . 4.460 3.859 3.718 4.139 . 0 0 "[ . 1]" 1
568 1 9 VAL HA 1 10 SER H . . 3.080 2.160 2.139 2.195 . 0 0 "[ . 1]" 1
569 1 95 PRO HB2 1 96 THR H . . 4.430 3.132 2.853 3.340 . 0 0 "[ . 1]" 1
570 1 57 GLN HB3 1 58 ASN HA . . 4.980 4.813 4.676 4.967 . 0 0 "[ . 1]" 1
571 1 57 GLN HB2 1 69 VAL HA . . 5.140 4.864 4.410 5.193 0.053 2 0 "[ . 1]" 1
572 1 65 LYS HB3 1 66 SER H . . 4.090 2.683 2.301 3.217 . 0 0 "[ . 1]" 1
573 1 11 LEU QD 1 29 CYS H . . 4.190 3.964 3.631 4.171 . 0 0 "[ . 1]" 1
574 1 88 LEU HG 1 89 VAL H . . 4.450 4.056 3.248 4.680 0.230 7 0 "[ . 1]" 1
575 1 42 PHE HD2 1 88 LEU HG . . 4.920 3.983 2.490 4.462 . 0 0 "[ . 1]" 1
576 1 50 ARG HG2 1 72 LEU QD . . 4.510 2.591 1.769 4.013 . 0 0 "[ . 1]" 1
577 1 33 TYR HB3 1 36 LEU MD1 . . 4.020 2.681 2.498 2.782 . 0 0 "[ . 1]" 1
578 1 11 LEU QD 1 28 VAL HA . . 5.180 4.717 4.448 4.961 . 0 0 "[ . 1]" 1
579 1 11 LEU QD 1 87 CYS HA . . 4.820 4.162 3.975 4.431 . 0 0 "[ . 1]" 1
580 1 33 TYR QD 1 36 LEU MD1 . . 3.960 2.791 2.697 2.964 . 0 0 "[ . 1]" 1
581 1 94 LEU HG 1 95 PRO QD . . 4.500 4.370 4.261 4.485 . 0 0 "[ . 1]" 1
582 1 88 LEU QD 1 97 PRO HA . . 5.090 4.387 3.280 4.917 . 0 0 "[ . 1]" 1
583 1 93 GLU HA 1 94 LEU QD . . 5.500 5.125 4.881 5.278 . 0 0 "[ . 1]" 1
584 1 94 LEU QD 1 95 PRO HA . . 5.500 4.337 3.616 5.265 . 0 0 "[ . 1]" 1
585 1 27 ILE HA 1 28 VAL HB . . 4.730 4.580 4.369 5.481 0.751 1 1 "[+ . 1]" 1
586 1 8 SER QB 1 9 VAL HA . . 4.970 4.384 4.256 4.602 . 0 0 "[ . 1]" 1
587 1 42 PHE H 1 42 PHE HB2 . . 4.140 3.096 2.493 3.249 . 0 0 "[ . 1]" 1
588 1 59 PRO HA 1 69 VAL H . . 5.000 4.331 3.947 4.770 . 0 0 "[ . 1]" 1
589 1 58 ASN HA 1 59 PRO HG3 . . 4.630 4.338 4.058 4.530 . 0 0 "[ . 1]" 1
590 1 50 ARG HG3 1 72 LEU QD . . 4.510 2.816 1.739 4.086 . 0 0 "[ . 1]" 1
591 1 19 ILE H 1 19 ILE MD . . 4.770 3.911 3.353 4.289 . 0 0 "[ . 1]" 1
592 1 19 ILE MD 1 20 TRP H . . 5.240 4.565 4.275 4.680 . 0 0 "[ . 1]" 1
593 1 58 ASN HB3 1 59 PRO HD2 . . 3.960 3.745 3.536 4.042 0.082 5 0 "[ . 1]" 1
594 1 58 ASN HB2 1 59 PRO HD2 . . 3.960 2.848 1.969 3.874 . 0 0 "[ . 1]" 1
595 1 14 PRO HD2 1 102 ILE HG12 . . 4.680 4.400 4.180 4.720 0.040 3 0 "[ . 1]" 1
596 1 13 LYS QG 1 14 PRO HD2 . . 3.720 3.715 3.521 3.829 0.109 4 0 "[ . 1]" 1
597 1 13 LYS QG 1 14 PRO HD3 . . 4.640 4.625 4.451 4.713 0.073 2 0 "[ . 1]" 1
598 1 27 ILE HB 1 43 TRP HZ3 . . 3.990 3.209 2.825 3.894 . 0 0 "[ . 1]" 1
599 1 31 ILE HB 1 33 TYR QD . . 4.480 3.470 3.132 3.948 . 0 0 "[ . 1]" 1
600 1 33 TYR HB3 1 39 ILE MD . . 5.060 4.871 3.624 5.200 0.140 8 0 "[ . 1]" 1
601 1 39 ILE MD 1 68 ILE QG . . 3.680 3.224 2.889 3.729 0.049 6 0 "[ . 1]" 1
602 1 36 LEU HA 1 39 ILE MD . . 5.030 4.693 4.389 4.933 . 0 0 "[ . 1]" 1
603 1 37 GLU HA 1 39 ILE MD . . 5.370 4.540 2.839 5.299 . 0 0 "[ . 1]" 1
604 1 33 TYR QD 1 39 ILE MD . . 4.030 3.224 2.861 3.472 . 0 0 "[ . 1]" 1
605 1 54 VAL HA 1 73 LYS H . . 4.460 3.547 3.315 3.872 . 0 0 "[ . 1]" 1
606 1 5 THR HA 1 7 ILE H . . 4.450 5.057 4.788 5.883 1.433 9 3 "[ - .* +1]" 1
607 1 58 ASN HA 1 59 PRO HD2 . . 3.150 2.276 2.155 2.418 . 0 0 "[ . 1]" 1
608 1 37 GLU HA 1 37 GLU HG3 . . 3.840 3.298 2.367 3.737 . 0 0 "[ . 1]" 1
609 1 33 TYR HB3 1 36 LEU MD2 . . 4.640 4.446 4.310 4.660 0.020 8 0 "[ . 1]" 1
610 1 80 ASP HB2 1 81 SER H . . 4.300 4.194 4.131 4.260 . 0 0 "[ . 1]" 1
611 1 31 ILE HB 1 68 ILE HB . . 4.340 4.003 3.192 4.302 . 0 0 "[ . 1]" 1
612 1 71 LYS H 1 71 LYS HB2 . . 3.850 2.771 2.477 3.636 . 0 0 "[ . 1]" 1
613 1 27 ILE H 1 73 LYS HA . . 4.040 4.006 3.725 4.131 0.091 9 0 "[ . 1]" 1
614 1 32 VAL H 1 67 THR HA . . 5.500 4.890 4.681 5.042 . 0 0 "[ . 1]" 1
615 1 60 GLU H 1 67 THR HA . . 5.500 4.660 4.423 5.026 . 0 0 "[ . 1]" 1
616 1 3 ARG HA 1 3 ARG QD . . 4.080 3.408 2.076 4.215 0.135 2 0 "[ . 1]" 1
617 1 11 LEU HA 1 30 GLU H . . 4.300 3.281 2.918 3.573 . 0 0 "[ . 1]" 1
618 1 11 LEU HA 1 102 ILE HB . . 5.500 5.203 4.707 5.493 . 0 0 "[ . 1]" 1
619 1 94 LEU HA 1 96 THR H . . 4.500 4.167 3.969 4.515 0.015 8 0 "[ . 1]" 1
620 1 58 ASN H 1 59 PRO HD3 . . 5.110 4.911 4.516 5.135 0.025 7 0 "[ . 1]" 1
621 1 49 GLU H 1 49 GLU HG2 . . 4.680 3.664 2.127 4.445 . 0 0 "[ . 1]" 1
622 1 100 ALA HA 1 101 SER HB2 . . 5.090 4.592 4.269 5.428 0.338 1 0 "[ . 1]" 1
623 1 100 ALA MB 1 101 SER HB2 . . 5.500 5.216 4.994 5.698 0.198 1 0 "[ . 1]" 1
624 1 101 SER HB2 1 102 ILE MG . . 5.500 5.288 4.330 5.530 0.030 7 0 "[ . 1]" 1
625 1 100 ALA MB 1 101 SER HB3 . . 5.320 5.104 5.002 5.250 . 0 0 "[ . 1]" 1
626 1 100 ALA MB 1 101 SER HA . . 4.510 4.177 4.083 4.229 . 0 0 "[ . 1]" 1
627 1 59 PRO HA 1 68 ILE QG . . 4.160 3.166 2.875 3.636 . 0 0 "[ . 1]" 1
628 1 101 SER H 1 102 ILE H . . 4.640 4.484 4.443 4.515 . 0 0 "[ . 1]" 1
629 1 100 ALA H 1 101 SER H . . 4.180 4.180 4.047 4.260 0.080 9 0 "[ . 1]" 1
630 1 100 ALA HA 1 101 SER H . . 3.000 2.202 2.048 2.296 . 0 0 "[ . 1]" 1
631 1 101 SER H 1 101 SER HB3 . . 3.760 2.660 2.521 2.995 . 0 0 "[ . 1]" 1
632 1 39 ILE H 1 39 ILE HG12 . . 3.700 3.649 2.415 3.845 0.145 9 0 "[ . 1]" 1
633 1 38 ASN HB3 1 39 ILE H . . 5.240 3.951 3.507 4.228 . 0 0 "[ . 1]" 1
634 1 38 ASN HA 1 39 ILE H . . 3.330 1.925 1.861 2.190 . 0 0 "[ . 1]" 1
635 1 38 ASN HB2 1 39 ILE H . . 5.240 3.764 3.428 4.600 . 0 0 "[ . 1]" 1
636 1 39 ILE H 1 40 LYS H . . 4.790 4.539 4.201 4.600 . 0 0 "[ . 1]" 1
637 1 39 ILE H 1 39 ILE HB . . 3.030 2.454 2.272 2.758 . 0 0 "[ . 1]" 1
638 1 38 ASN H 1 39 ILE H . . 3.680 4.128 3.786 4.208 0.528 2 3 "[*+ - 1]" 1
639 1 39 ILE H 1 39 ILE HG13 . . 3.700 2.797 2.159 3.742 0.042 8 0 "[ . 1]" 1
640 1 20 TRP H 1 20 TRP HB2 . . 3.960 2.657 2.458 3.620 . 0 0 "[ . 1]" 1
641 1 20 TRP H 1 20 TRP HD1 . . 4.310 3.285 2.773 4.402 0.092 1 0 "[ . 1]" 1
642 1 61 TRP HA 1 62 SER H . . 3.110 2.220 2.113 2.438 . 0 0 "[ . 1]" 1
643 1 74 VAL HA 1 75 MET H . . 3.400 2.337 2.252 2.433 . 0 0 "[ . 1]" 1
644 1 75 MET H 1 75 MET HB2 . . 3.660 2.451 2.240 2.530 . 0 0 "[ . 1]" 1
645 1 74 VAL QG 1 75 MET H . . 4.050 2.552 1.764 3.187 . 0 0 "[ . 1]" 1
646 1 75 MET H 1 75 MET HB3 . . 3.660 3.601 3.517 3.629 . 0 0 "[ . 1]" 1
647 1 75 MET H 1 75 MET HG2 . . 4.110 3.378 2.347 4.138 0.028 8 0 "[ . 1]" 1
648 1 7 ILE HB 1 8 SER H . . 4.390 4.187 4.057 4.248 . 0 0 "[ . 1]" 1
649 1 8 SER H 1 33 TYR HA . . 4.530 3.988 3.655 4.314 . 0 0 "[ . 1]" 1
650 1 29 CYS H 1 70 SER H . . 4.190 3.453 2.962 3.649 . 0 0 "[ . 1]" 1
651 1 69 VAL HB 1 70 SER H . . 4.350 4.140 3.930 4.249 . 0 0 "[ . 1]" 1
652 1 85 TYR HB3 1 102 ILE H . . 5.240 4.242 3.771 4.635 . 0 0 "[ . 1]" 1
653 1 69 VAL HA 1 70 SER H . . 3.120 2.136 2.088 2.192 . 0 0 "[ . 1]" 1
654 1 69 VAL H 1 70 SER H . . 4.860 4.353 4.322 4.412 . 0 0 "[ . 1]" 1
655 1 93 GLU H 1 93 GLU HG3 . . 4.080 3.971 3.759 4.126 0.046 8 0 "[ . 1]" 1
656 1 93 GLU H 1 93 GLU HB2 . . 3.670 2.441 2.305 2.692 . 0 0 "[ . 1]" 1
657 1 75 MET H 1 78 GLU H . . 4.870 4.375 4.126 4.655 . 0 0 "[ . 1]" 1
658 1 78 GLU H 1 78 GLU HB2 . . 3.580 2.456 2.268 2.685 . 0 0 "[ . 1]" 1
659 1 78 GLU H 1 78 GLU HB3 . . 3.580 3.159 2.338 3.618 0.038 10 0 "[ . 1]" 1
660 1 93 GLU H 1 94 LEU H . . 3.500 2.399 2.291 2.582 . 0 0 "[ . 1]" 1
661 1 94 LEU H 1 94 LEU HG . . 3.380 2.423 2.104 2.916 . 0 0 "[ . 1]" 1
662 1 94 LEU H 1 94 LEU HB2 . . 3.290 3.205 2.373 3.769 0.479 8 0 "[ . 1]" 1
663 1 36 LEU MD2 1 94 LEU H . . 4.740 4.437 3.940 4.765 0.025 3 0 "[ . 1]" 1
664 1 59 PRO HA 1 60 GLU H . . 3.220 2.183 2.149 2.240 . 0 0 "[ . 1]" 1
665 1 89 VAL HA 1 90 GLU H . . 2.930 2.165 2.111 2.197 . 0 0 "[ . 1]" 1
666 1 40 LYS H 1 90 GLU H . . 3.900 3.206 2.999 3.465 . 0 0 "[ . 1]" 1
667 1 72 LEU H 1 72 LEU HB2 . . 4.180 2.598 2.326 2.744 . 0 0 "[ . 1]" 1
668 1 27 ILE H 1 72 LEU H . . 4.330 3.194 2.563 3.525 . 0 0 "[ . 1]" 1
669 1 11 LEU H 1 11 LEU HG . . 3.830 3.446 2.542 4.274 0.444 5 0 "[ . 1]" 1
670 1 71 LYS HA 1 72 LEU H . . 3.260 2.232 2.163 2.277 . 0 0 "[ . 1]" 1
671 1 29 CYS H 1 72 LEU H . . 4.860 4.523 4.310 4.859 . 0 0 "[ . 1]" 1
672 1 71 LYS HB2 1 72 LEU H . . 4.840 3.911 3.018 4.233 . 0 0 "[ . 1]" 1
673 1 72 LEU H 1 72 LEU HB3 . . 4.180 3.114 2.939 3.374 . 0 0 "[ . 1]" 1
674 1 43 TRP HH2 1 72 LEU H . . 4.620 4.433 4.148 4.655 0.035 7 0 "[ . 1]" 1
675 1 71 LYS H 1 71 LYS HB3 . . 3.850 3.168 2.423 3.723 . 0 0 "[ . 1]" 1
676 1 84 GLU HB3 1 85 TYR H . . 4.460 3.234 2.781 3.930 . 0 0 "[ . 1]" 1
677 1 23 GLN QG 1 24 THR H . . 4.110 3.418 2.526 3.982 . 0 0 "[ . 1]" 1
678 1 58 ASN HD21 1 59 PRO HG2 . . 4.680 3.935 3.209 4.760 0.080 10 0 "[ . 1]" 1
679 1 72 LEU HA 1 73 LYS H . . 3.170 2.120 2.093 2.144 . 0 0 "[ . 1]" 1
680 1 73 LYS H 1 73 LYS HB3 . . 3.770 2.971 2.430 3.659 . 0 0 "[ . 1]" 1
681 1 57 GLN H 1 70 SER HA . . 3.930 3.318 3.078 3.676 . 0 0 "[ . 1]" 1
682 1 57 GLN H 1 57 GLN HB2 . . 3.530 2.441 2.366 2.537 . 0 0 "[ . 1]" 1
683 1 88 LEU H 1 88 LEU QB . . 3.730 2.522 2.385 2.966 . 0 0 "[ . 1]" 1
684 1 87 CYS HB2 1 88 LEU H . . 4.360 4.102 3.264 4.298 . 0 0 "[ . 1]" 1
685 1 42 PHE H 1 88 LEU H . . 4.160 2.917 2.436 3.238 . 0 0 "[ . 1]" 1
686 1 87 CYS HA 1 88 LEU H . . 3.120 2.141 2.109 2.202 . 0 0 "[ . 1]" 1
687 1 88 LEU H 1 88 LEU QD . . 3.880 2.799 2.433 3.643 . 0 0 "[ . 1]" 1
688 1 31 ILE H 1 31 ILE HB . . 3.700 3.516 3.077 3.717 0.017 3 0 "[ . 1]" 1
689 1 31 ILE H 1 68 ILE H . . 4.240 3.453 3.196 3.716 . 0 0 "[ . 1]" 1
690 1 31 ILE H 1 31 ILE HG12 . . 4.530 2.860 2.213 3.909 . 0 0 "[ . 1]" 1
691 1 56 THR H 1 56 THR HB . . 4.120 3.227 2.561 3.702 . 0 0 "[ . 1]" 1
692 1 55 GLU HA 1 56 THR H . . 3.520 2.154 2.104 2.225 . 0 0 "[ . 1]" 1
693 1 37 GLU HB2 1 38 ASN HD22 . . 5.500 5.453 4.669 5.739 0.239 7 0 "[ . 1]" 1
694 1 37 GLU HB3 1 38 ASN HD22 . . 5.500 4.486 3.763 5.519 0.019 8 0 "[ . 1]" 1
695 1 58 ASN HD22 1 59 PRO HG2 . . 4.680 4.358 3.774 4.786 0.106 7 0 "[ . 1]" 1
696 1 33 TYR HB3 1 34 SER H . . 3.710 3.408 3.281 3.787 0.077 6 0 "[ . 1]" 1
697 1 33 TYR QD 1 34 SER H . . 4.390 4.029 3.199 4.244 . 0 0 "[ . 1]" 1
698 1 60 GLU H 1 67 THR H . . 3.920 2.789 2.594 2.958 . 0 0 "[ . 1]" 1
699 1 66 SER HB3 1 67 THR H . . 4.410 2.863 2.749 2.942 . 0 0 "[ . 1]" 1
700 1 66 SER HB2 1 67 THR H . . 4.410 3.801 3.730 3.864 . 0 0 "[ . 1]" 1
701 1 66 SER HA 1 67 THR H . . 3.180 2.284 2.248 2.313 . 0 0 "[ . 1]" 1
702 1 47 GLY H 1 48 VAL H . . 3.420 2.791 2.721 2.910 . 0 0 "[ . 1]" 1
703 1 57 GLN HA 1 58 ASN H . . 2.990 2.356 2.232 2.518 . 0 0 "[ . 1]" 1
704 1 58 ASN H 1 58 ASN HB2 . . 3.660 3.062 2.329 3.599 . 0 0 "[ . 1]" 1
705 1 57 GLN H 1 58 ASN H . . 4.680 4.521 4.473 4.559 . 0 0 "[ . 1]" 1
706 1 58 ASN H 1 58 ASN HB3 . . 3.660 2.421 2.260 2.723 . 0 0 "[ . 1]" 1
707 1 10 SER H 1 10 SER HB3 . . 3.920 3.721 2.875 3.940 0.020 9 0 "[ . 1]" 1
708 1 42 PHE HB2 1 43 TRP H . . 4.220 4.116 4.006 4.352 0.132 3 0 "[ . 1]" 1
709 1 42 PHE H 1 43 TRP H . . 4.970 4.407 4.343 4.482 . 0 0 "[ . 1]" 1
710 1 43 TRP H 1 44 GLN H . . 5.350 4.331 4.248 4.404 . 0 0 "[ . 1]" 1
711 1 42 PHE HB3 1 43 TRP H . . 4.100 3.965 3.546 4.125 0.025 7 0 "[ . 1]" 1
712 1 85 TYR HB2 1 86 VAL H . . 4.550 4.406 4.336 4.526 . 0 0 "[ . 1]" 1
713 1 86 VAL H 1 86 VAL HB . . 3.620 2.888 2.682 3.523 . 0 0 "[ . 1]" 1
714 1 102 ILE H 1 102 ILE HB . . 3.850 3.033 2.915 3.151 . 0 0 "[ . 1]" 1
715 1 102 ILE H 1 102 ILE MG . . 3.560 2.193 2.120 2.250 . 0 0 "[ . 1]" 1
716 1 85 TYR H 1 102 ILE H . . 4.200 3.019 2.811 3.195 . 0 0 "[ . 1]" 1
717 1 76 ALA HA 1 79 TRP H . . 4.330 3.605 3.430 3.796 . 0 0 "[ . 1]" 1
718 1 78 GLU HB2 1 79 TRP H . . 4.700 2.818 2.178 3.721 . 0 0 "[ . 1]" 1
719 1 78 GLU HB3 1 79 TRP H . . 4.700 2.873 2.204 3.436 . 0 0 "[ . 1]" 1
720 1 79 TRP H 1 80 ASP H . . 4.010 2.742 2.699 2.810 . 0 0 "[ . 1]" 1
721 1 79 TRP H 1 79 TRP HB2 . . 3.720 2.560 2.415 2.702 . 0 0 "[ . 1]" 1
722 1 79 TRP H 1 79 TRP HB3 . . 3.720 2.473 2.388 2.586 . 0 0 "[ . 1]" 1
723 1 41 VAL H 1 41 VAL HB . . 3.310 2.668 2.581 2.884 . 0 0 "[ . 1]" 1
724 1 99 LYS HA 1 100 ALA H . . 3.060 2.253 2.196 2.306 . 0 0 "[ . 1]" 1
725 1 87 CYS H 1 100 ALA H . . 3.300 2.735 2.520 3.050 . 0 0 "[ . 1]" 1
726 1 86 VAL HA 1 100 ALA H . . 4.380 4.150 3.999 4.283 . 0 0 "[ . 1]" 1
727 1 88 LEU HA 1 100 ALA H . . 4.740 3.758 3.244 3.990 . 0 0 "[ . 1]" 1
728 1 99 LYS HB2 1 100 ALA H . . 3.480 2.681 2.511 3.014 . 0 0 "[ . 1]" 1
729 1 87 CYS HB3 1 100 ALA H . . 4.810 3.940 3.489 4.863 0.053 8 0 "[ . 1]" 1
730 1 104 LYS H 1 104 LYS HB2 . . 3.830 2.641 2.547 2.730 . 0 0 "[ . 1]" 1
731 1 10 SER HB3 1 11 LEU H . . 3.920 3.420 2.896 3.950 0.030 6 0 "[ . 1]" 1
732 1 11 LEU H 1 11 LEU HB3 . . 3.940 3.367 2.362 3.667 . 0 0 "[ . 1]" 1
733 1 11 LEU H 1 11 LEU QD . . 4.700 3.238 2.176 3.748 . 0 0 "[ . 1]" 1
734 1 10 SER HA 1 11 LEU H . . 3.050 2.156 2.107 2.278 . 0 0 "[ . 1]" 1
735 1 6 ASP H 1 6 ASP HB2 . . 3.930 2.814 2.341 3.721 . 0 0 "[ . 1]" 1
736 1 6 ASP H 1 6 ASP HB3 . . 3.930 3.168 2.544 3.691 . 0 0 "[ . 1]" 1
737 1 11 LEU QD 1 87 CYS H . . 3.440 2.910 2.696 3.118 . 0 0 "[ . 1]" 1
738 1 86 VAL HB 1 87 CYS H . . 4.450 3.919 3.630 4.071 . 0 0 "[ . 1]" 1
739 1 87 CYS H 1 87 CYS HB3 . . 3.850 2.476 2.350 2.937 . 0 0 "[ . 1]" 1
740 1 87 CYS H 1 101 SER HA . . 4.230 3.277 3.135 3.484 . 0 0 "[ . 1]" 1
741 1 31 ILE HA 1 32 VAL H . . 3.130 2.072 2.025 2.111 . 0 0 "[ . 1]" 1
742 1 32 VAL H 1 32 VAL HB . . 3.700 2.748 2.632 3.449 . 0 0 "[ . 1]" 1
743 1 32 VAL H 1 33 TYR H . . 4.540 4.383 4.354 4.407 . 0 0 "[ . 1]" 1
744 1 31 ILE MG 1 32 VAL H . . 3.620 3.108 2.555 3.542 . 0 0 "[ . 1]" 1
745 1 54 VAL HB 1 55 GLU H . . 4.200 4.148 4.045 4.204 0.004 7 0 "[ . 1]" 1
746 1 41 VAL HA 1 42 PHE H . . 3.110 2.214 2.162 2.241 . 0 0 "[ . 1]" 1
747 1 41 VAL H 1 42 PHE H . . 5.150 4.507 4.440 4.548 . 0 0 "[ . 1]" 1
748 1 42 PHE H 1 42 PHE HD1 . . 5.000 4.908 4.563 5.057 0.057 7 0 "[ . 1]" 1
749 1 41 VAL HB 1 42 PHE H . . 4.710 3.994 3.903 4.075 . 0 0 "[ . 1]" 1
750 1 29 CYS H 1 43 TRP HZ3 . . 5.500 5.461 5.199 5.554 0.054 7 0 "[ . 1]" 1
751 1 29 CYS H 1 43 TRP HH2 . . 4.270 3.049 2.815 3.213 . 0 0 "[ . 1]" 1
752 1 77 SER H 1 77 SER QB . . 3.820 2.444 2.221 2.628 . 0 0 "[ . 1]" 1
753 1 77 SER H 1 78 GLU H . . 4.350 2.706 2.543 2.807 . 0 0 "[ . 1]" 1
754 1 4 GLN HA 1 5 THR H . . 3.370 3.191 2.093 3.528 0.158 2 0 "[ . 1]" 1
755 1 5 THR H 1 5 THR HB . . 4.160 2.810 2.635 3.071 . 0 0 "[ . 1]" 1
756 1 5 THR H 1 6 ASP H . . 4.740 3.955 3.769 4.543 . 0 0 "[ . 1]" 1
757 1 5 THR H 1 5 THR MG . . 4.150 2.687 1.787 3.878 . 0 0 "[ . 1]" 1
758 1 7 ILE H 1 8 SER H . . 4.500 4.216 4.166 4.273 . 0 0 "[ . 1]" 1
759 1 6 ASP HB2 1 7 ILE H . . 4.450 4.176 3.359 4.459 0.009 7 0 "[ . 1]" 1
760 1 6 ASP H 1 7 ILE H . . 4.130 4.126 4.019 4.252 0.122 9 0 "[ . 1]" 1
761 1 7 ILE H 1 7 ILE MG . . 3.330 1.927 1.774 2.181 . 0 0 "[ . 1]" 1
762 1 7 ILE H 1 7 ILE HB . . 4.050 3.217 3.110 3.411 . 0 0 "[ . 1]" 1
763 1 6 ASP HA 1 7 ILE H . . 3.500 2.075 1.978 2.157 . 0 0 "[ . 1]" 1
764 1 7 ILE H 1 7 ILE QG . . 4.790 3.952 3.878 4.041 . 0 0 "[ . 1]" 1
765 1 65 LYS HB2 1 66 SER H . . 4.090 3.795 3.493 4.142 0.052 1 0 "[ . 1]" 1
766 1 89 VAL H 1 99 LYS HA . . 4.170 3.712 3.322 3.985 . 0 0 "[ . 1]" 1
767 1 88 LEU QD 1 89 VAL H . . 4.430 3.553 2.148 4.043 . 0 0 "[ . 1]" 1
768 1 88 LEU QB 1 89 VAL H . . 4.050 2.894 2.606 3.336 . 0 0 "[ . 1]" 1
769 1 89 VAL H 1 89 VAL HB . . 3.540 2.575 2.430 3.361 . 0 0 "[ . 1]" 1
770 1 88 LEU HA 1 89 VAL H . . 3.020 2.227 2.187 2.285 . 0 0 "[ . 1]" 1
771 1 45 VAL H 1 48 VAL H . . 3.910 3.525 3.322 3.679 . 0 0 "[ . 1]" 1
772 1 44 GLN HA 1 45 VAL H . . 3.110 2.178 2.103 2.230 . 0 0 "[ . 1]" 1
773 1 11 LEU HB3 1 12 LEU H . . 4.720 3.358 2.848 4.286 . 0 0 "[ . 1]" 1
774 1 12 LEU H 1 28 VAL H . . 4.620 3.284 2.874 3.576 . 0 0 "[ . 1]" 1
775 1 12 LEU H 1 12 LEU HB3 . . 4.040 2.796 2.550 3.722 . 0 0 "[ . 1]" 1
776 1 43 TRP HE3 1 44 GLN H . . 4.690 4.117 3.893 4.387 . 0 0 "[ . 1]" 1
777 1 43 TRP HA 1 44 GLN H . . 3.310 2.246 2.224 2.285 . 0 0 "[ . 1]" 1
778 1 44 GLN H 1 86 VAL H . . 3.960 2.625 2.468 2.893 . 0 0 "[ . 1]" 1
779 1 54 VAL H 1 54 VAL HB . . 3.130 2.824 2.528 2.937 . 0 0 "[ . 1]" 1
780 1 54 VAL H 1 55 GLU H . . 4.720 4.520 4.480 4.541 . 0 0 "[ . 1]" 1
781 1 54 VAL H 1 72 LEU QD . . 4.580 3.414 3.086 3.607 . 0 0 "[ . 1]" 1
782 1 99 LYS H 1 99 LYS HG2 . . 4.330 2.324 1.945 2.515 . 0 0 "[ . 1]" 1
783 1 98 VAL HA 1 99 LYS H . . 2.900 2.222 2.136 2.329 . 0 0 "[ . 1]" 1
784 1 99 LYS H 1 100 ALA H . . 4.720 4.436 4.373 4.523 . 0 0 "[ . 1]" 1
785 1 99 LYS H 1 99 LYS HB2 . . 4.130 3.827 3.708 3.905 . 0 0 "[ . 1]" 1
786 1 99 LYS H 1 99 LYS QD . . 4.530 4.266 4.068 4.378 . 0 0 "[ . 1]" 1
787 1 33 TYR H 1 66 SER H . . 4.200 3.253 2.891 3.689 . 0 0 "[ . 1]" 1
788 1 33 TYR H 1 33 TYR QD . . 3.820 2.713 2.593 3.053 . 0 0 "[ . 1]" 1
789 1 53 GLY H 1 54 VAL H . . 4.420 1.925 1.747 2.145 . 0 0 "[ . 1]" 1
790 1 37 GLU HB2 1 38 ASN HD21 . . 5.500 4.786 3.390 5.147 . 0 0 "[ . 1]" 1
791 1 37 GLU HB3 1 38 ASN HD21 . . 5.500 3.694 3.059 4.528 . 0 0 "[ . 1]" 1
792 1 21 THR H 1 21 THR MG . . 4.450 3.056 1.807 3.962 . 0 0 "[ . 1]" 1
793 1 8 SER QB 1 9 VAL H . . 3.800 3.554 3.318 3.815 0.015 6 0 "[ . 1]" 1
794 1 9 VAL H 1 9 VAL QG . . 3.540 2.212 1.944 2.540 . 0 0 "[ . 1]" 1
795 1 8 SER HA 1 9 VAL H . . 2.930 2.153 2.111 2.181 . 0 0 "[ . 1]" 1
796 1 9 VAL H 1 9 VAL HB . . 3.530 2.903 2.612 3.275 . 0 0 "[ . 1]" 1
797 1 49 GLU H 1 49 GLU HB2 . . 3.730 2.637 2.413 3.604 . 0 0 "[ . 1]" 1
798 1 48 VAL HA 1 49 GLU H . . 3.280 2.178 2.119 2.211 . 0 0 "[ . 1]" 1
799 1 67 THR HA 1 68 ILE H . . 3.240 2.073 2.051 2.097 . 0 0 "[ . 1]" 1
800 1 68 ILE H 1 68 ILE MG . . 4.230 3.619 3.589 3.647 . 0 0 "[ . 1]" 1
801 1 68 ILE H 1 68 ILE MD . . 4.370 2.869 2.768 2.944 . 0 0 "[ . 1]" 1
802 1 68 ILE H 1 68 ILE QG . . 4.150 3.950 3.889 4.006 . 0 0 "[ . 1]" 1
803 1 32 VAL HA 1 68 ILE H . . 4.840 3.379 3.126 3.536 . 0 0 "[ . 1]" 1
804 1 68 ILE H 1 68 ILE HB . . 3.830 2.454 2.395 2.507 . 0 0 "[ . 1]" 1
805 1 82 GLY H 1 83 THR H . . 3.700 2.449 2.290 2.588 . 0 0 "[ . 1]" 1
806 1 83 THR H 1 84 GLU H . . 4.780 4.602 4.576 4.643 . 0 0 "[ . 1]" 1
807 1 36 LEU H 1 36 LEU MD1 . . 4.500 4.010 3.885 4.086 . 0 0 "[ . 1]" 1
808 1 36 LEU H 1 36 LEU HB2 . . 3.570 2.562 2.471 2.813 . 0 0 "[ . 1]" 1
809 1 35 ASP H 1 36 LEU H . . 4.240 2.533 2.485 2.699 . 0 0 "[ . 1]" 1
810 1 36 LEU H 1 36 LEU MD2 . . 4.160 3.167 3.071 3.235 . 0 0 "[ . 1]" 1
811 1 90 GLU H 1 91 ASP H . . 4.650 4.361 4.308 4.494 . 0 0 "[ . 1]" 1
812 1 91 ASP H 1 91 ASP HB2 . . 4.180 3.422 3.330 3.482 . 0 0 "[ . 1]" 1
813 1 91 ASP H 1 94 LEU HB2 . . 4.230 3.768 1.865 4.758 0.528 10 2 "[ . - +]" 1
814 1 91 ASP H 1 94 LEU QD . . 4.050 2.088 1.820 2.670 . 0 0 "[ . 1]" 1
815 1 90 GLU HA 1 91 ASP H . . 3.080 2.189 2.155 2.246 . 0 0 "[ . 1]" 1
816 1 91 ASP H 1 91 ASP HB3 . . 4.180 2.815 2.706 2.914 . 0 0 "[ . 1]" 1
817 1 80 ASP H 1 80 ASP HB2 . . 3.780 2.524 2.322 2.653 . 0 0 "[ . 1]" 1
818 1 80 ASP H 1 81 SER H . . 4.040 2.605 2.563 2.674 . 0 0 "[ . 1]" 1
819 1 79 TRP HB2 1 80 ASP H . . 4.440 3.890 3.841 3.942 . 0 0 "[ . 1]" 1
820 1 79 TRP HB3 1 80 ASP H . . 4.440 2.573 2.514 2.670 . 0 0 "[ . 1]" 1
821 1 34 SER HB3 1 35 ASP H . . 4.280 3.777 2.808 4.017 . 0 0 "[ . 1]" 1
822 1 37 GLU HB2 1 38 ASN H . . 4.530 3.684 3.103 4.298 . 0 0 "[ . 1]" 1
823 1 37 GLU H 1 37 GLU HB2 . . 4.060 2.552 2.206 3.192 . 0 0 "[ . 1]" 1
824 1 37 GLU H 1 37 GLU HG3 . . 4.670 3.897 2.790 4.541 . 0 0 "[ . 1]" 1
825 1 36 LEU HA 1 37 GLU H . . 3.460 2.310 2.159 2.480 . 0 0 "[ . 1]" 1
826 1 37 GLU H 1 37 GLU HB3 . . 4.060 3.348 2.642 3.981 . 0 0 "[ . 1]" 1
827 1 36 LEU HB2 1 37 GLU H . . 4.410 3.596 3.203 3.997 . 0 0 "[ . 1]" 1
828 1 37 GLU H 1 38 ASN H . . 4.520 4.359 3.280 4.530 0.010 9 0 "[ . 1]" 1
829 1 69 VAL H 1 69 VAL HB . . 3.490 2.875 2.586 3.370 . 0 0 "[ . 1]" 1
830 1 68 ILE MG 1 69 VAL H . . 3.300 2.655 2.530 2.796 . 0 0 "[ . 1]" 1
831 1 13 LYS H 1 13 LYS QG . . 3.180 2.076 1.954 2.358 . 0 0 "[ . 1]" 1
832 1 12 LEU HA 1 13 LYS H . . 2.900 2.119 2.078 2.155 . 0 0 "[ . 1]" 1
833 1 61 TRP H 1 61 TRP HB2 . . 4.040 2.872 2.477 3.653 . 0 0 "[ . 1]" 1
834 1 97 PRO HA 1 98 VAL H . . 3.100 2.238 2.180 2.276 . 0 0 "[ . 1]" 1
835 1 98 VAL H 1 98 VAL MG1 . . 4.070 3.322 2.137 3.876 . 0 0 "[ . 1]" 1
836 1 89 VAL H 1 98 VAL H . . 3.910 2.700 2.535 2.824 . 0 0 "[ . 1]" 1
837 1 98 VAL H 1 98 VAL HB . . 3.860 2.955 2.572 3.814 . 0 0 "[ . 1]" 1
838 1 85 TYR H 1 85 TYR HB3 . . 4.040 3.664 3.426 3.763 . 0 0 "[ . 1]" 1
839 1 84 GLU HA 1 85 TYR H . . 3.440 2.156 2.107 2.221 . 0 0 "[ . 1]" 1
840 1 85 TYR H 1 85 TYR QD . . 4.040 3.502 3.234 4.033 . 0 0 "[ . 1]" 1
841 1 84 GLU HB2 1 85 TYR H . . 4.460 3.953 3.105 4.158 . 0 0 "[ . 1]" 1
842 1 104 LYS HA 1 105 ALA H . . 2.990 2.130 2.082 2.209 . 0 0 "[ . 1]" 1
843 1 104 LYS H 1 105 ALA H . . 4.850 4.396 4.268 4.553 . 0 0 "[ . 1]" 1
844 1 104 LYS HB2 1 105 ALA H . . 4.360 4.292 4.018 4.433 0.073 9 0 "[ . 1]" 1
845 1 104 LYS HB3 1 105 ALA H . . 4.360 4.238 3.977 4.394 0.034 3 0 "[ . 1]" 1
846 1 79 TRP HZ2 1 105 ALA H . . 4.720 3.487 2.771 4.491 . 0 0 "[ . 1]" 1
847 1 81 SER H 1 81 SER HB3 . . 4.100 2.781 2.381 3.647 . 0 0 "[ . 1]" 1
848 1 84 GLU H 1 84 GLU HG3 . . 3.900 2.194 1.798 2.437 . 0 0 "[ . 1]" 1
849 1 84 GLU H 1 84 GLU HB3 . . 3.910 3.526 2.876 3.644 . 0 0 "[ . 1]" 1
850 1 83 THR HA 1 84 GLU H . . 3.010 2.244 2.168 2.323 . 0 0 "[ . 1]" 1
851 1 49 GLU HA 1 50 ARG H . . 3.190 2.195 2.135 2.220 . 0 0 "[ . 1]" 1
852 1 44 GLN HA 1 50 ARG H . . 4.220 3.472 2.986 4.178 . 0 0 "[ . 1]" 1
853 1 45 VAL H 1 50 ARG H . . 4.250 3.930 3.753 4.326 0.076 1 0 "[ . 1]" 1
854 1 10 SER H 1 30 GLU H . . 4.060 3.358 3.083 3.776 . 0 0 "[ . 1]" 1
855 1 29 CYS H 1 30 GLU H . . 4.860 4.225 4.155 4.407 . 0 0 "[ . 1]" 1
856 1 29 CYS HA 1 30 GLU H . . 3.190 2.145 2.108 2.168 . 0 0 "[ . 1]" 1
857 1 45 VAL QG 1 46 ASN H . . 3.480 2.945 2.800 3.055 . 0 0 "[ . 1]" 1
858 1 46 ASN H 1 84 GLU H . . 5.130 3.548 3.223 4.359 . 0 0 "[ . 1]" 1
859 1 46 ASN H 1 47 GLY H . . 4.100 2.711 2.636 2.768 . 0 0 "[ . 1]" 1
860 1 37 GLU HA 1 39 ILE H . . 4.480 5.136 4.245 5.375 0.895 3 8 "[**+**- **]" 1
861 1 37 GLU H 1 39 ILE H . . 5.460 5.616 5.405 6.518 1.058 8 1 "[ . + 1]" 1
862 1 102 ILE MG 1 103 ARG H . . 3.710 3.614 3.468 3.762 0.052 1 0 "[ . 1]" 1
863 1 102 ILE HG13 1 103 ARG H . . 2.810 2.191 1.889 2.605 . 0 0 "[ . 1]" 1
864 1 19 ILE MG 1 20 TRP H . . 4.170 2.970 2.191 3.588 . 0 0 "[ . 1]" 1
865 1 62 SER H 1 63 GLY H . . 4.430 4.189 3.876 4.609 0.179 8 0 "[ . 1]" 1
866 1 69 VAL QG 1 70 SER H . . 3.030 2.710 2.413 2.805 . 0 0 "[ . 1]" 1
867 1 36 LEU MD2 1 93 GLU H . . 4.300 3.950 3.518 4.308 0.008 4 0 "[ . 1]" 1
868 1 60 GLU H 1 68 ILE MD . . 3.900 3.332 2.827 3.938 0.038 4 0 "[ . 1]" 1
869 1 60 GLU H 1 67 THR HB . . 4.250 3.160 2.757 3.883 . 0 0 "[ . 1]" 1
870 1 60 GLU H 1 68 ILE HA . . 4.770 3.893 3.707 4.297 . 0 0 "[ . 1]" 1
871 1 60 GLU H 1 66 SER HA . . 5.020 4.680 4.465 4.834 . 0 0 "[ . 1]" 1
872 1 89 VAL HB 1 90 GLU H . . 4.960 4.249 4.136 4.356 . 0 0 "[ . 1]" 1
873 1 89 VAL QG 1 90 GLU H . . 3.070 2.623 2.518 2.771 . 0 0 "[ . 1]" 1
874 1 71 LYS H 1 72 LEU H . . 4.560 4.489 4.449 4.521 . 0 0 "[ . 1]" 1
875 1 85 TYR H 1 101 SER HA . . 4.790 4.580 4.390 4.746 . 0 0 "[ . 1]" 1
876 1 28 VAL QG 1 71 LYS H . . 4.700 4.233 4.013 4.605 . 0 0 "[ . 1]" 1
877 1 85 TYR H 1 102 ILE HB . . 5.120 5.256 5.193 5.354 0.234 6 0 "[ . 1]" 1
878 1 73 LYS H 1 73 LYS HG2 . . 5.480 3.875 2.389 4.641 . 0 0 "[ . 1]" 1
879 1 73 LYS H 1 73 LYS HG3 . . 5.480 3.885 2.146 4.546 . 0 0 "[ . 1]" 1
880 1 27 ILE H 1 73 LYS H . . 5.500 5.055 4.907 5.195 . 0 0 "[ . 1]" 1
881 1 53 GLY H 1 73 LYS H . . 5.500 5.453 5.212 5.554 0.054 2 0 "[ . 1]" 1
882 1 57 GLN H 1 69 VAL QG . . 4.060 3.544 2.979 3.890 . 0 0 "[ . 1]" 1
883 1 57 GLN H 1 69 VAL H . . 4.360 3.453 3.198 3.927 . 0 0 "[ . 1]" 1
884 1 43 TRP HA 1 88 LEU H . . 4.090 3.539 3.263 4.019 . 0 0 "[ . 1]" 1
885 1 31 ILE H 1 68 ILE MG . . 4.350 3.678 3.535 3.970 . 0 0 "[ . 1]" 1
886 1 43 TRP HE1 1 72 LEU QD . . 3.430 3.136 3.034 3.283 . 0 0 "[ . 1]" 1
887 1 43 TRP HE1 1 54 VAL QG . . 3.370 2.852 2.647 3.231 . 0 0 "[ . 1]" 1
888 1 34 SER H 1 36 LEU MD1 . . 4.220 3.763 3.485 3.916 . 0 0 "[ . 1]" 1
889 1 34 SER H 1 36 LEU MD2 . . 4.480 3.901 3.809 4.033 . 0 0 "[ . 1]" 1
890 1 34 SER H 1 36 LEU HB2 . . 5.130 5.028 4.943 5.143 0.013 7 0 "[ . 1]" 1
891 1 7 ILE HA 1 34 SER H . . 5.210 4.837 4.103 5.124 . 0 0 "[ . 1]" 1
892 1 79 TRP HH2 1 103 ARG H . . 4.970 3.683 3.396 4.304 . 0 0 "[ . 1]" 1
893 1 58 ASN H 1 59 PRO HD2 . . 4.890 4.784 4.684 4.934 0.044 1 0 "[ . 1]" 1
894 1 9 VAL QG 1 10 SER H . . 3.150 2.833 2.696 2.943 . 0 0 "[ . 1]" 1
895 1 42 PHE HE1 1 43 TRP H . . 3.830 3.998 3.945 4.027 0.197 4 0 "[ . 1]" 1
896 1 45 VAL HA 1 86 VAL H . . 4.550 4.152 3.747 4.464 . 0 0 "[ . 1]" 1
897 1 65 LYS H 1 65 LYS HG2 . . 5.260 3.417 2.367 4.512 . 0 0 "[ . 1]" 1
898 1 65 LYS H 1 65 LYS HG3 . . 5.260 3.573 2.656 4.106 . 0 0 "[ . 1]" 1
899 1 86 VAL QG 1 100 ALA H . . 3.320 2.471 2.095 2.724 . 0 0 "[ . 1]" 1
900 1 104 LYS H 1 104 LYS HB3 . . 3.830 2.529 2.414 2.638 . 0 0 "[ . 1]" 1
901 1 103 ARG HG3 1 104 LYS H . . 4.960 3.985 2.154 4.970 0.010 9 0 "[ . 1]" 1
902 1 103 ARG HG2 1 104 LYS H . . 4.960 4.353 3.860 4.904 . 0 0 "[ . 1]" 1
903 1 28 VAL HB 1 72 LEU H . . 5.500 5.525 4.486 5.703 0.203 5 0 "[ . 1]" 1
904 1 10 SER H 1 11 LEU H . . 4.570 4.253 4.131 4.338 . 0 0 "[ . 1]" 1
905 1 57 GLN HE22 1 69 VAL QG . . 3.990 2.413 2.217 2.521 . 0 0 "[ . 1]" 1
906 1 57 GLN HE22 1 69 VAL HB . . 4.570 4.009 3.420 4.645 0.075 8 0 "[ . 1]" 1
907 1 6 ASP H 1 7 ILE MG . . 4.570 4.619 4.383 4.751 0.181 7 0 "[ . 1]" 1
908 1 87 CYS H 1 100 ALA MB . . 4.010 3.598 3.416 3.745 . 0 0 "[ . 1]" 1
909 1 86 VAL H 1 87 CYS H . . 4.750 4.384 4.336 4.429 . 0 0 "[ . 1]" 1
910 1 87 CYS H 1 88 LEU H . . 5.060 4.292 4.218 4.345 . 0 0 "[ . 1]" 1
911 1 8 SER QB 1 32 VAL H . . 4.250 2.977 2.593 3.580 . 0 0 "[ . 1]" 1
912 1 9 VAL HA 1 32 VAL H . . 3.970 3.651 3.361 4.024 0.054 6 0 "[ . 1]" 1
913 1 54 VAL QG 1 55 GLU H . . 3.310 2.574 2.459 2.787 . 0 0 "[ . 1]" 1
914 1 55 GLU H 1 56 THR HA . . 4.710 4.647 4.526 4.762 0.052 7 0 "[ . 1]" 1
915 1 55 GLU H 1 72 LEU HA . . 4.260 3.542 3.462 3.712 . 0 0 "[ . 1]" 1
916 1 29 CYS H 1 71 LYS HA . . 4.140 3.232 2.851 3.616 . 0 0 "[ . 1]" 1
917 1 5 THR MG 1 7 ILE H . . 4.450 4.091 3.219 4.595 0.145 2 0 "[ . 1]" 1
918 1 32 VAL QG 1 66 SER H . . 4.370 3.556 3.072 3.810 . 0 0 "[ . 1]" 1
919 1 65 LYS HG2 1 66 SER H . . 5.500 4.436 3.687 5.127 . 0 0 "[ . 1]" 1
920 1 65 LYS HG3 1 66 SER H . . 5.500 4.983 4.676 5.422 . 0 0 "[ . 1]" 1
921 1 34 SER HB2 1 66 SER H . . 5.300 3.589 2.907 4.540 . 0 0 "[ . 1]" 1
922 1 34 SER HB3 1 66 SER H . . 5.300 4.326 2.778 5.141 . 0 0 "[ . 1]" 1
923 1 34 SER HA 1 66 SER H . . 4.070 3.091 2.298 3.335 . 0 0 "[ . 1]" 1
924 1 45 VAL H 1 49 GLU HA . . 3.630 3.601 3.484 3.694 0.064 2 0 "[ . 1]" 1
925 1 12 LEU H 1 28 VAL HB . . 4.190 3.727 3.082 4.469 0.279 1 0 "[ . 1]" 1
926 1 11 LEU QD 1 12 LEU H . . 3.860 3.133 2.436 3.696 . 0 0 "[ . 1]" 1
927 1 12 LEU H 1 28 VAL QG . . 4.450 3.444 1.795 3.943 . 0 0 "[ . 1]" 1
928 1 44 GLN H 1 86 VAL QG . . 4.510 3.390 2.336 3.935 . 0 0 "[ . 1]" 1
929 1 44 GLN H 1 86 VAL HB . . 4.070 3.356 2.370 5.060 0.990 1 2 "[+ - 1]" 1
930 1 44 GLN H 1 87 CYS HA . . 4.590 4.211 3.908 4.598 0.008 3 0 "[ . 1]" 1
931 1 11 LEU QD 1 28 VAL H . . 4.540 4.242 3.828 4.466 . 0 0 "[ . 1]" 1
932 1 98 VAL MG1 1 99 LYS H . . 3.860 3.225 2.376 3.802 . 0 0 "[ . 1]" 1
933 1 98 VAL HB 1 99 LYS H . . 4.360 3.914 2.701 4.352 . 0 0 "[ . 1]" 1
934 1 57 GLN HE21 1 69 VAL QG . . 3.990 2.097 1.611 2.767 . 0 0 "[ . 1]" 1
935 1 57 GLN HE21 1 69 VAL HB . . 4.570 3.478 2.248 4.322 . 0 0 "[ . 1]" 1
936 1 9 VAL H 1 31 ILE MG . . 4.500 4.059 3.892 4.277 . 0 0 "[ . 1]" 1
937 1 9 VAL H 1 32 VAL H . . 5.080 4.881 4.833 5.018 . 0 0 "[ . 1]" 1
938 1 24 THR HA 1 76 ALA H . . 4.430 4.520 4.191 4.760 0.330 8 0 "[ . 1]" 1
939 1 67 THR MG 1 68 ILE H . . 3.580 2.791 2.646 2.864 . 0 0 "[ . 1]" 1
940 1 33 TYR QD 1 68 ILE H . . 5.040 4.652 3.946 4.793 . 0 0 "[ . 1]" 1
941 1 79 TRP HE1 1 104 LYS HA . . 4.560 4.189 3.642 4.465 . 0 0 "[ . 1]" 1
942 1 79 TRP HE1 1 104 LYS QG . . 3.580 2.944 2.568 3.582 0.002 3 0 "[ . 1]" 1
943 1 36 LEU MD1 1 91 ASP H . . 5.500 5.159 4.686 5.514 0.014 1 0 "[ . 1]" 1
944 1 89 VAL QG 1 91 ASP H . . 5.500 4.089 3.765 4.315 . 0 0 "[ . 1]" 1
945 1 91 ASP H 1 94 LEU HG . . 3.720 2.668 1.954 3.753 0.033 1 0 "[ . 1]" 1
946 1 39 ILE HA 1 91 ASP H . . 5.500 5.337 5.203 5.522 0.022 7 0 "[ . 1]" 1
947 1 79 TRP HD1 1 80 ASP H . . 4.570 3.956 3.621 4.193 . 0 0 "[ . 1]" 1
948 1 36 LEU MD2 1 37 GLU H . . 4.090 3.545 3.362 4.189 0.099 8 0 "[ . 1]" 1
949 1 57 GLN HB2 1 69 VAL H . . 3.940 3.111 2.502 3.555 . 0 0 "[ . 1]" 1
950 1 57 GLN HB3 1 69 VAL H . . 4.940 4.591 3.984 4.992 0.052 9 0 "[ . 1]" 1
951 1 12 LEU QD 1 13 LYS H . . 3.680 2.835 1.976 3.633 . 0 0 "[ . 1]" 1
952 1 12 LEU H 1 13 LYS H . . 4.660 4.227 4.182 4.338 . 0 0 "[ . 1]" 1
953 1 88 LEU QD 1 98 VAL H . . 4.540 3.899 2.484 4.433 . 0 0 "[ . 1]" 1
954 1 97 PRO HG2 1 98 VAL H . . 4.680 4.721 4.677 4.783 0.103 4 0 "[ . 1]" 1
955 1 69 VAL QG 1 71 LYS H . . 4.300 3.763 3.513 4.079 . 0 0 "[ . 1]" 1
956 1 85 TYR H 1 86 VAL QG . . 4.600 3.807 3.610 4.068 . 0 0 "[ . 1]" 1
957 1 45 VAL QG 1 85 TYR H . . 5.440 4.631 4.370 4.990 . 0 0 "[ . 1]" 1
958 1 71 LYS H 1 71 LYS QG . . 4.260 3.135 2.023 4.048 . 0 0 "[ . 1]" 1
959 1 80 ASP HB3 1 81 SER H . . 4.300 3.242 3.060 3.442 . 0 0 "[ . 1]" 1
960 1 45 VAL HB 1 47 GLY H . . 5.250 5.304 5.266 5.452 0.202 2 0 "[ . 1]" 1
961 1 45 VAL HA 1 47 GLY H . . 3.920 3.808 3.433 3.910 . 0 0 "[ . 1]" 1
962 1 45 VAL HA 1 46 ASN H . . 2.780 2.140 2.066 2.167 . 0 0 "[ . 1]" 1
963 1 3 ARG HA 1 3 ARG QG . . 3.440 2.678 2.277 3.491 0.051 5 0 "[ . 1]" 1
964 1 5 THR HA 1 6 ASP QB . . 4.400 4.358 4.166 4.511 0.111 8 0 "[ . 1]" 1
965 1 6 ASP QB 1 7 ILE HB . . 5.340 5.414 5.325 5.566 0.226 8 0 "[ . 1]" 1
966 1 6 ASP QB 1 7 ILE MG . . 4.580 4.665 4.544 4.757 0.177 6 0 "[ . 1]" 1
967 1 9 VAL HA 1 10 SER QB . . 5.330 4.512 4.150 4.635 . 0 0 "[ . 1]" 1
968 1 9 VAL HA 1 31 ILE QG . . 5.340 4.611 3.633 5.262 . 0 0 "[ . 1]" 1
969 1 10 SER H 1 10 SER QB . . 3.440 2.729 2.664 2.848 . 0 0 "[ . 1]" 1
970 1 10 SER H 1 30 GLU QB . . 4.070 3.618 3.256 4.072 0.002 4 0 "[ . 1]" 1
971 1 10 SER QB 1 11 LEU H . . 3.420 3.236 2.825 3.531 0.111 6 0 "[ . 1]" 1
972 1 10 SER QB 1 30 GLU H . . 4.390 3.609 3.103 4.055 . 0 0 "[ . 1]" 1
973 1 11 LEU H 1 11 LEU QB . . 3.340 2.342 2.232 2.496 . 0 0 "[ . 1]" 1
974 1 11 LEU HA 1 30 GLU QB . . 5.340 4.939 4.372 5.383 0.043 3 0 "[ . 1]" 1
975 1 11 LEU QB 1 12 LEU H . . 3.910 3.200 2.790 3.840 . 0 0 "[ . 1]" 1
976 1 11 LEU QB 1 29 CYS HA . . 4.660 4.177 3.955 4.456 . 0 0 "[ . 1]" 1
977 1 11 LEU QB 1 102 ILE HA . . 4.820 4.220 3.814 4.850 0.030 5 0 "[ . 1]" 1
978 1 11 LEU QB 1 102 ILE HB . . 3.880 2.874 2.185 3.899 0.019 2 0 "[ . 1]" 1
979 1 11 LEU QB 1 102 ILE MD . . 4.060 2.319 1.786 3.305 . 0 0 "[ . 1]" 1
980 1 11 LEU QD 1 29 CYS QB . . 3.380 2.234 1.944 2.465 . 0 0 "[ . 1]" 1
981 1 12 LEU H 1 12 LEU QB . . 3.250 2.437 2.392 2.529 . 0 0 "[ . 1]" 1
982 1 12 LEU QB 1 28 VAL H . . 4.480 3.328 3.191 3.469 . 0 0 "[ . 1]" 1
983 1 13 LYS QD 1 102 ILE MD . . 4.020 3.255 2.546 4.059 0.039 3 0 "[ . 1]" 1
984 1 14 PRO HD3 1 27 ILE QG . . 4.880 2.970 1.821 4.102 . 0 0 "[ . 1]" 1
985 1 15 PRO HA 1 16 PHE QB . . 4.310 4.301 4.043 4.549 0.239 6 0 "[ . 1]" 1
986 1 16 PHE H 1 16 PHE QB . . 3.690 2.567 2.218 3.405 . 0 0 "[ . 1]" 1
987 1 19 ILE MG 1 20 TRP QB . . 4.860 3.908 3.407 4.520 . 0 0 "[ . 1]" 1
988 1 20 TRP H 1 20 TRP QB . . 3.450 2.522 2.422 2.675 . 0 0 "[ . 1]" 1
989 1 27 ILE H 1 27 ILE QG . . 3.820 2.351 2.060 2.893 . 0 0 "[ . 1]" 1
990 1 27 ILE HB 1 72 LEU QB . . 3.780 2.466 2.001 2.757 . 0 0 "[ . 1]" 1
991 1 27 ILE MG 1 72 LEU QB . . 4.710 3.673 2.994 3.987 . 0 0 "[ . 1]" 1
992 1 27 ILE QG 1 102 ILE MG . . 4.760 3.785 3.212 4.287 . 0 0 "[ . 1]" 1
993 1 28 VAL HA 1 71 LYS QB . . 4.290 3.986 3.541 4.331 0.041 8 0 "[ . 1]" 1
994 1 28 VAL QG 1 71 LYS QB . . 4.280 2.713 2.096 3.085 . 0 0 "[ . 1]" 1
995 1 29 CYS H 1 29 CYS QB . . 3.680 2.397 2.370 2.430 . 0 0 "[ . 1]" 1
996 1 29 CYS QB 1 31 ILE MG . . 5.340 4.585 4.100 5.175 . 0 0 "[ . 1]" 1
997 1 29 CYS QB 1 31 ILE MD . . 4.290 3.498 3.239 3.901 . 0 0 "[ . 1]" 1
998 1 29 CYS QB 1 87 CYS HB2 . . 4.070 2.532 2.032 2.831 . 0 0 "[ . 1]" 1
999 1 30 GLU H 1 30 GLU QB . . 3.400 2.448 2.304 2.537 . 0 0 "[ . 1]" 1
1000 1 30 GLU HA 1 31 ILE QG . . 3.980 3.686 2.670 4.059 0.079 6 0 "[ . 1]" 1
1001 1 31 ILE H 1 31 ILE QG . . 3.810 2.267 1.924 2.554 . 0 0 "[ . 1]" 1
1002 1 31 ILE QG 1 32 VAL H . . 4.900 4.402 4.271 4.563 . 0 0 "[ . 1]" 1
1003 1 32 VAL QG 1 65 LYS QB . . 4.370 2.541 2.101 3.065 . 0 0 "[ . 1]" 1
1004 1 33 TYR QD 1 66 SER QB . . 3.950 2.601 2.278 3.286 . 0 0 "[ . 1]" 1
1005 1 34 SER H 1 34 SER QB . . 3.660 2.795 2.517 3.248 . 0 0 "[ . 1]" 1
1006 1 34 SER QB 1 35 ASP H . . 3.710 3.314 2.734 3.631 . 0 0 "[ . 1]" 1
1007 1 34 SER QB 1 65 LYS QG . . 4.460 3.154 1.813 4.477 0.017 9 0 "[ . 1]" 1
1008 1 34 SER QB 1 65 LYS QD . . 4.680 3.139 1.764 4.737 0.057 2 0 "[ . 1]" 1
1009 1 34 SER QB 1 66 SER H . . 4.520 3.164 2.748 3.652 . 0 0 "[ . 1]" 1
1010 1 35 ASP QB 1 36 LEU H . . 4.420 3.644 3.591 3.679 . 0 0 "[ . 1]" 1
1011 1 36 LEU MD1 1 91 ASP QB . . 3.570 2.639 2.296 3.004 . 0 0 "[ . 1]" 1
1012 1 36 LEU MD2 1 91 ASP QB . . 3.820 3.353 2.975 3.885 0.065 8 0 "[ . 1]" 1
1013 1 37 GLU H 1 37 GLU QB . . 3.560 2.433 2.176 3.069 . 0 0 "[ . 1]" 1
1014 1 37 GLU QB 1 38 ASN H . . 3.720 2.594 1.872 3.833 0.113 8 0 "[ . 1]" 1
1015 1 37 GLU QB 1 38 ASN QD . . 3.920 3.323 2.928 3.944 0.024 6 0 "[ . 1]" 1
1016 1 37 GLU QG 1 38 ASN H . . 4.870 3.318 1.737 4.692 . 0 0 "[ . 1]" 1
1017 1 37 GLU QG 1 38 ASN QD . . 4.760 3.758 2.043 4.947 0.187 8 0 "[ . 1]" 1
1018 1 38 ASN H 1 38 ASN QD . . 4.690 2.185 1.734 3.555 . 0 0 "[ . 1]" 1
1019 1 38 ASN H 1 39 ILE QG . . 5.340 4.924 3.013 5.419 0.079 10 0 "[ . 1]" 1
1020 1 38 ASN QB 1 38 ASN QD . . 3.000 2.310 2.166 2.750 . 0 0 "[ . 1]" 1
1021 1 38 ASN QB 1 39 ILE H . . 4.480 3.346 3.270 3.650 . 0 0 "[ . 1]" 1
1022 1 39 ILE H 1 39 ILE QG . . 3.240 2.605 2.143 2.840 . 0 0 "[ . 1]" 1
1023 1 39 ILE HA 1 39 ILE QG . . 3.320 2.352 2.225 2.842 . 0 0 "[ . 1]" 1
1024 1 39 ILE HA 1 40 LYS QB . . 4.440 4.078 4.006 4.310 . 0 0 "[ . 1]" 1
1025 1 39 ILE HA 1 91 ASP QB . . 4.410 2.990 2.641 3.474 . 0 0 "[ . 1]" 1
1026 1 39 ILE QG 1 40 LYS H . . 4.420 3.969 3.717 4.651 0.231 8 0 "[ . 1]" 1
1027 1 39 ILE QG 1 91 ASP QB . . 4.450 2.431 1.782 4.122 . 0 0 "[ . 1]" 1
1028 1 39 ILE MD 1 91 ASP QB . . 4.040 3.583 2.141 4.064 0.024 4 0 "[ . 1]" 1
1029 1 40 LYS H 1 40 LYS QB . . 3.460 2.387 2.292 2.517 . 0 0 "[ . 1]" 1
1030 1 40 LYS H 1 40 LYS QD . . 4.980 4.445 4.044 4.974 . 0 0 "[ . 1]" 1
1031 1 40 LYS QB 1 40 LYS QE . . 3.830 3.496 1.864 3.857 0.027 8 0 "[ . 1]" 1
1032 1 40 LYS QB 1 41 VAL H . . 4.270 3.702 3.016 3.812 . 0 0 "[ . 1]" 1
1033 1 40 LYS QB 1 90 GLU H . . 4.580 3.537 3.182 3.777 . 0 0 "[ . 1]" 1
1034 1 40 LYS QG 1 41 VAL H . . 3.850 3.053 2.483 3.968 0.118 7 0 "[ . 1]" 1
1035 1 41 VAL QG 1 70 SER QB . . 3.460 2.327 1.974 2.838 . 0 0 "[ . 1]" 1
1036 1 43 TRP QB 1 50 ARG QG . . 4.570 3.196 2.327 3.577 . 0 0 "[ . 1]" 1
1037 1 43 TRP HE1 1 70 SER QB . . 4.240 2.521 2.123 2.956 . 0 0 "[ . 1]" 1
1038 1 44 GLN H 1 44 GLN QB . . 3.540 2.607 2.393 3.061 . 0 0 "[ . 1]" 1
1039 1 45 VAL QG 1 46 ASN QB . . 3.720 2.841 2.469 3.252 . 0 0 "[ . 1]" 1
1040 1 45 VAL QG 1 78 GLU QG . . 4.330 3.704 2.815 4.303 . 0 0 "[ . 1]" 1
1041 1 45 VAL QG 1 50 ARG QD . . 3.800 2.789 1.775 3.782 . 0 0 "[ . 1]" 1
1042 1 46 ASN H 1 84 GLU QG . . 5.030 3.762 1.772 5.044 0.014 9 0 "[ . 1]" 1
1043 1 46 ASN QB 1 48 VAL H . . 3.400 3.239 3.041 3.458 0.058 8 0 "[ . 1]" 1
1044 1 47 GLY QA 1 48 VAL QG . . 4.570 3.706 3.350 4.212 . 0 0 "[ . 1]" 1
1045 1 49 GLU H 1 49 GLU QB . . 3.150 2.415 2.242 2.586 . 0 0 "[ . 1]" 1
1046 1 49 GLU QB 1 50 ARG H . . 4.230 3.173 2.856 3.632 . 0 0 "[ . 1]" 1
1047 1 49 GLU QG 1 50 ARG H . . 4.140 3.570 2.367 4.177 0.037 3 0 "[ . 1]" 1
1048 1 50 ARG H 1 50 ARG QG . . 3.590 3.284 1.745 3.877 0.287 8 0 "[ . 1]" 1
1049 1 50 ARG QG 1 72 LEU HG . . 4.930 3.410 2.846 4.303 . 0 0 "[ . 1]" 1
1050 1 50 ARG QG 1 72 LEU QD . . 3.740 2.260 1.713 3.051 . 0 0 "[ . 1]" 1
1051 1 50 ARG QD 1 72 LEU QD . . 3.610 2.354 1.763 3.140 . 0 0 "[ . 1]" 1
1052 1 52 LYS HA 1 52 LYS QD . . 3.990 2.972 1.829 4.189 0.199 6 0 "[ . 1]" 1
1053 1 52 LYS QB 1 52 LYS QE . . 4.360 3.535 2.171 3.882 . 0 0 "[ . 1]" 1
1054 1 52 LYS QB 1 53 GLY H . . 4.420 2.323 2.101 3.012 . 0 0 "[ . 1]" 1
1055 1 52 LYS QD 1 53 GLY H . . 4.750 3.556 2.486 4.265 . 0 0 "[ . 1]" 1
1056 1 53 GLY QA 1 72 LEU QD . . 3.900 3.298 3.196 3.406 . 0 0 "[ . 1]" 1
1057 1 53 GLY QA 1 73 LYS QB . . 3.710 2.489 2.245 2.871 . 0 0 "[ . 1]" 1
1058 1 55 GLU H 1 55 GLU QB . . 3.620 2.639 2.498 2.751 . 0 0 "[ . 1]" 1
1059 1 56 THR HA 1 70 SER QB . . 4.210 3.557 2.538 4.217 0.007 10 0 "[ . 1]" 1
1060 1 56 THR MG 1 70 SER QB . . 3.490 2.962 2.396 3.371 . 0 0 "[ . 1]" 1
1061 1 57 GLN H 1 57 GLN QE . . 4.890 4.059 3.532 4.641 . 0 0 "[ . 1]" 1
1062 1 57 GLN HB2 1 57 GLN QE . . 4.110 2.973 1.786 3.777 . 0 0 "[ . 1]" 1
1063 1 57 GLN QE 1 69 VAL HB . . 3.950 3.241 2.221 3.967 0.017 1 0 "[ . 1]" 1
1064 1 58 ASN H 1 58 ASN QB . . 3.100 2.270 2.199 2.378 . 0 0 "[ . 1]" 1
1065 1 58 ASN QB 1 59 PRO HD2 . . 3.230 2.693 1.960 3.393 0.163 1 0 "[ . 1]" 1
1066 1 58 ASN QB 1 59 PRO HD3 . . 3.840 3.709 3.300 4.056 0.216 4 0 "[ . 1]" 1
1067 1 58 ASN QD 1 59 PRO HA . . 5.340 4.640 4.377 5.396 0.056 5 0 "[ . 1]" 1
1068 1 58 ASN QD 1 59 PRO QB . . 5.070 4.178 3.537 4.543 . 0 0 "[ . 1]" 1
1069 1 58 ASN QD 1 59 PRO HG2 . . 3.950 3.474 3.160 3.869 . 0 0 "[ . 1]" 1
1070 1 59 PRO QB 1 60 GLU H . . 4.040 3.106 2.891 3.240 . 0 0 "[ . 1]" 1
1071 1 59 PRO QB 1 66 SER QB . . 4.210 3.155 2.748 3.553 . 0 0 "[ . 1]" 1
1072 1 59 PRO QB 1 67 THR H . . 4.650 3.638 2.844 4.365 . 0 0 "[ . 1]" 1
1073 1 59 PRO QB 1 68 ILE MD . . 3.590 1.781 1.670 2.053 . 0 0 "[ . 1]" 1
1074 1 60 GLU H 1 60 GLU QB . . 3.390 2.586 2.349 2.988 . 0 0 "[ . 1]" 1
1075 1 60 GLU H 1 60 GLU QG . . 4.740 3.910 2.159 4.384 . 0 0 "[ . 1]" 1
1076 1 60 GLU HA 1 60 GLU QG . . 3.320 2.648 2.375 3.353 0.033 2 0 "[ . 1]" 1
1077 1 60 GLU QB 1 61 TRP H . . 4.260 3.672 2.669 3.993 . 0 0 "[ . 1]" 1
1078 1 60 GLU QB 1 67 THR H . . 4.910 4.149 2.997 5.015 0.105 4 0 "[ . 1]" 1
1079 1 60 GLU QB 1 67 THR HB . . 4.040 3.013 1.792 4.116 0.076 4 0 "[ . 1]" 1
1080 1 60 GLU QG 1 61 TRP H . . 4.330 3.074 2.438 3.795 . 0 0 "[ . 1]" 1
1081 1 60 GLU QG 1 61 TRP HA . . 4.890 4.058 3.210 4.646 . 0 0 "[ . 1]" 1
1082 1 61 TRP H 1 61 TRP QB . . 3.400 2.584 2.295 3.012 . 0 0 "[ . 1]" 1
1083 1 61 TRP QB 1 62 SER H . . 4.080 3.428 3.082 3.868 . 0 0 "[ . 1]" 1
1084 1 62 SER H 1 62 SER QB . . 3.510 2.602 2.217 3.054 . 0 0 "[ . 1]" 1
1085 1 65 LYS H 1 65 LYS QG . . 4.510 2.880 2.345 3.500 . 0 0 "[ . 1]" 1
1086 1 65 LYS HA 1 65 LYS QG . . 3.680 2.653 2.346 3.093 . 0 0 "[ . 1]" 1
1087 1 65 LYS HA 1 65 LYS QD . . 4.120 3.080 2.024 4.202 0.082 2 0 "[ . 1]" 1
1088 1 65 LYS QB 1 66 SER H . . 3.400 2.627 2.276 3.102 . 0 0 "[ . 1]" 1
1089 1 66 SER H 1 66 SER QB . . 3.570 2.593 2.538 2.670 . 0 0 "[ . 1]" 1
1090 1 66 SER QB 1 67 THR H . . 3.820 2.783 2.692 2.851 . 0 0 "[ . 1]" 1
1091 1 66 SER QB 1 68 ILE MD . . 4.530 2.859 2.761 2.928 . 0 0 "[ . 1]" 1
1092 1 68 ILE MG 1 70 SER QB . . 4.320 3.578 3.061 4.003 . 0 0 "[ . 1]" 1
1093 1 70 SER H 1 70 SER QB . . 3.590 2.634 2.449 3.108 . 0 0 "[ . 1]" 1
1094 1 71 LYS HA 1 72 LEU QB . . 4.870 3.998 3.874 4.083 . 0 0 "[ . 1]" 1
1095 1 71 LYS QB 1 72 LEU H . . 4.260 3.144 2.656 3.679 . 0 0 "[ . 1]" 1
1096 1 72 LEU H 1 72 LEU QB . . 3.500 2.469 2.270 2.552 . 0 0 "[ . 1]" 1
1097 1 72 LEU HA 1 73 LYS QB . . 4.610 4.224 4.052 4.488 . 0 0 "[ . 1]" 1
1098 1 72 LEU QB 1 74 VAL QG . . 3.900 2.905 2.085 3.687 . 0 0 "[ . 1]" 1
1099 1 72 LEU QD 1 73 LYS QB . . 4.930 3.598 3.395 3.895 . 0 0 "[ . 1]" 1
1100 1 73 LYS H 1 73 LYS QB . . 3.120 2.374 2.258 2.516 . 0 0 "[ . 1]" 1
1101 1 73 LYS H 1 73 LYS QG . . 4.700 3.307 2.124 4.028 . 0 0 "[ . 1]" 1
1102 1 73 LYS QB 1 73 LYS QE . . 3.310 2.498 1.882 3.468 0.158 3 0 "[ . 1]" 1
1103 1 74 VAL QG 1 79 TRP QB . . 3.810 2.604 2.370 2.739 . 0 0 "[ . 1]" 1
1104 1 75 MET H 1 75 MET QB . . 3.080 2.412 2.216 2.484 . 0 0 "[ . 1]" 1
1105 1 75 MET H 1 75 MET QG . . 3.540 2.458 2.207 3.691 0.151 8 0 "[ . 1]" 1
1106 1 75 MET HA 1 75 MET QG . . 3.640 2.556 2.377 3.043 . 0 0 "[ . 1]" 1
1107 1 75 MET QB 1 76 ALA MB . . 4.670 4.180 3.982 4.338 . 0 0 "[ . 1]" 1
1108 1 75 MET QB 1 77 SER H . . 4.310 3.020 2.559 3.294 . 0 0 "[ . 1]" 1
1109 1 75 MET QB 1 77 SER QB . . 3.540 3.340 2.825 3.549 0.009 7 0 "[ . 1]" 1
1110 1 76 ALA MB 1 79 TRP QB . . 5.120 4.081 3.844 4.425 . 0 0 "[ . 1]" 1
1111 1 77 SER HA 1 80 ASP QB . . 3.430 2.356 2.106 2.673 . 0 0 "[ . 1]" 1
1112 1 78 GLU H 1 78 GLU QG . . 3.890 3.057 2.105 4.018 0.128 7 0 "[ . 1]" 1
1113 1 78 GLU HA 1 78 GLU QG . . 3.190 2.713 2.409 3.063 . 0 0 "[ . 1]" 1
1114 1 78 GLU QB 1 79 TRP H . . 3.880 2.238 2.154 2.303 . 0 0 "[ . 1]" 1
1115 1 78 GLU QG 1 83 THR HB . . 5.340 3.931 2.184 5.217 . 0 0 "[ . 1]" 1
1116 1 78 GLU QG 1 83 THR MG . . 4.400 2.929 1.763 3.970 . 0 0 "[ . 1]" 1
1117 1 79 TRP H 1 80 ASP QB . . 4.940 4.493 4.443 4.589 . 0 0 "[ . 1]" 1
1118 1 79 TRP QB 1 79 TRP HE1 . . 4.440 4.395 4.381 4.406 . 0 0 "[ . 1]" 1
1119 1 79 TRP QB 1 80 ASP H . . 3.780 2.539 2.484 2.627 . 0 0 "[ . 1]" 1
1120 1 79 TRP QB 1 83 THR MG . . 5.310 4.508 3.837 5.533 0.223 9 0 "[ . 1]" 1
1121 1 79 TRP HE1 1 104 LYS QB . . 4.560 4.276 3.656 4.577 0.017 9 0 "[ . 1]" 1
1122 1 80 ASP H 1 80 ASP QB . . 3.230 2.242 2.204 2.270 . 0 0 "[ . 1]" 1
1123 1 80 ASP QB 1 81 SER H . . 3.620 3.137 2.990 3.283 . 0 0 "[ . 1]" 1
1124 1 81 SER H 1 81 SER QB . . 3.390 2.324 2.251 2.440 . 0 0 "[ . 1]" 1
1125 1 83 THR HA 1 84 GLU QB . . 4.780 4.518 4.427 4.654 . 0 0 "[ . 1]" 1
1126 1 83 THR HA 1 84 GLU QG . . 3.870 3.492 3.146 3.773 . 0 0 "[ . 1]" 1
1127 1 84 GLU H 1 84 GLU QB . . 3.320 2.536 2.439 2.761 . 0 0 "[ . 1]" 1
1128 1 84 GLU H 1 84 GLU QG . . 3.170 2.126 1.789 2.383 . 0 0 "[ . 1]" 1
1129 1 84 GLU QB 1 85 TYR H . . 3.630 3.044 2.718 3.223 . 0 0 "[ . 1]" 1
1130 1 84 GLU QG 1 85 TYR H . . 4.400 4.212 4.046 4.419 0.019 10 0 "[ . 1]" 1
1131 1 88 LEU QB 1 97 PRO QB . . 4.400 3.350 2.961 4.313 . 0 0 "[ . 1]" 1
1132 1 88 LEU QD 1 97 PRO QD . . 5.350 4.717 4.319 4.945 . 0 0 "[ . 1]" 1
1133 1 90 GLU H 1 90 GLU QB . . 3.520 2.831 2.508 3.130 . 0 0 "[ . 1]" 1
1134 1 90 GLU H 1 90 GLU QG . . 4.610 2.862 2.116 4.132 . 0 0 "[ . 1]" 1
1135 1 90 GLU HA 1 90 GLU QG . . 3.500 2.874 2.348 3.353 . 0 0 "[ . 1]" 1
1136 1 90 GLU QB 1 91 ASP H . . 4.020 3.070 2.617 3.739 . 0 0 "[ . 1]" 1
1137 1 91 ASP QB 1 92 SER HA . . 5.270 5.027 4.966 5.144 . 0 0 "[ . 1]" 1
1138 1 91 ASP QB 1 92 SER QB . . 5.180 4.909 4.669 5.086 . 0 0 "[ . 1]" 1
1139 1 91 ASP QB 1 93 GLU HB2 . . 4.850 4.160 3.854 5.477 0.627 4 1 "[ +. 1]" 1
1140 1 91 ASP QB 1 94 LEU H . . 3.930 3.260 3.001 3.471 . 0 0 "[ . 1]" 1
1141 1 91 ASP QB 1 94 LEU HB2 . . 4.530 3.941 2.725 4.835 0.305 6 0 "[ . 1]" 1
1142 1 91 ASP QB 1 94 LEU HG . . 3.630 2.199 1.796 2.640 . 0 0 "[ . 1]" 1
1143 1 91 ASP QB 1 94 LEU QD . . 3.410 2.331 2.187 2.555 . 0 0 "[ . 1]" 1
1144 1 92 SER QB 1 93 GLU QG . . 4.660 3.432 2.953 4.941 0.281 4 0 "[ . 1]" 1
1145 1 93 GLU H 1 93 GLU QG . . 3.360 2.796 2.517 3.688 0.328 4 0 "[ . 1]" 1
1146 1 93 GLU HA 1 93 GLU QG . . 3.320 2.877 2.747 3.051 . 0 0 "[ . 1]" 1
1147 1 93 GLU QG 1 94 LEU H . . 4.580 4.464 3.988 4.667 0.087 8 0 "[ . 1]" 1
1148 1 94 LEU HA 1 95 PRO QG . . 4.370 3.664 3.319 3.922 . 0 0 "[ . 1]" 1
1149 1 95 PRO QB 1 96 THR H . . 3.730 3.032 2.799 3.195 . 0 0 "[ . 1]" 1
1150 1 95 PRO QB 1 96 THR MG . . 4.970 2.835 2.624 3.031 . 0 0 "[ . 1]" 1
1151 1 96 THR H 1 97 PRO QD . . 4.860 4.322 4.301 4.341 . 0 0 "[ . 1]" 1
1152 1 96 THR HB 1 97 PRO QD . . 3.220 2.217 2.116 2.330 . 0 0 "[ . 1]" 1
1153 1 96 THR MG 1 97 PRO QD . . 3.220 2.815 2.651 3.033 . 0 0 "[ . 1]" 1
1154 1 99 LYS H 1 99 LYS QG . . 3.470 2.267 1.928 2.429 . 0 0 "[ . 1]" 1
1155 1 103 ARG H 1 103 ARG QB . . 3.170 2.821 2.477 3.138 . 0 0 "[ . 1]" 1
1156 1 103 ARG H 1 103 ARG QG . . 4.470 2.874 2.000 4.172 . 0 0 "[ . 1]" 1
1157 1 103 ARG H 1 103 ARG QD . . 4.260 4.009 1.786 4.392 0.132 8 0 "[ . 1]" 1
1158 1 103 ARG HA 1 104 LYS QB . . 4.610 4.171 4.059 4.295 . 0 0 "[ . 1]" 1
1159 1 103 ARG QB 1 103 ARG QD . . 3.130 2.276 2.102 2.439 . 0 0 "[ . 1]" 1
1160 1 103 ARG QB 1 104 LYS H . . 3.800 2.833 2.494 3.581 . 0 0 "[ . 1]" 1
1161 1 103 ARG QG 1 104 LYS H . . 4.180 3.535 2.143 4.089 . 0 0 "[ . 1]" 1
1162 1 104 LYS H 1 104 LYS QB . . 3.270 2.295 2.235 2.335 . 0 0 "[ . 1]" 1
1163 1 104 LYS QB 1 104 LYS QD . . 3.320 2.217 2.107 2.316 . 0 0 "[ . 1]" 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 3
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 29 CYS 0.000 0.000 . 0 "[ . 1]"
1 87 CYS 0.000 0.000 . 0 "[ . 1]"
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 29 CYS SG 1 87 CYS SG . . 2.100 2.037 2.031 2.041 . 0 0 "[ . 1]" 2
2 1 29 CYS SG 1 87 CYS CB . . 3.100 3.045 3.018 3.060 . 0 0 "[ . 1]" 2
3 1 29 CYS CB 1 87 CYS SG . . 3.100 3.038 3.014 3.083 . 0 0 "[ . 1]" 2
stop_
save_