NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
581530 |
2mhh   |
19633 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhh
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 1036
_Distance_constraint_stats_list.Viol_count 410
_Distance_constraint_stats_list.Viol_total 1108.342
_Distance_constraint_stats_list.Viol_max 0.619
_Distance_constraint_stats_list.Viol_rms 0.0253
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.1352
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.003 0.003 13 0 "[ . 1 . 2]"
1 3 LEU 0.003 0.003 13 0 "[ . 1 . 2]"
1 4 VAL 0.606 0.228 3 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.599 0.228 3 0 "[ . 1 . 2]"
1 9 HIS 0.080 0.080 18 0 "[ . 1 . 2]"
1 10 MET 0.246 0.168 20 0 "[ . 1 . 2]"
1 11 ALA 0.278 0.157 16 0 "[ . 1 . 2]"
1 12 SER 0.498 0.148 17 0 "[ . 1 . 2]"
1 13 LYS 0.080 0.080 18 0 "[ . 1 . 2]"
1 14 ARG 0.795 0.148 17 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 1.091 0.230 20 0 "[ . 1 . 2]"
1 17 ILE 1.639 0.309 6 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 4.487 0.521 2 2 "[ + . 1 . - 2]"
1 21 GLN 2.283 0.382 17 0 "[ . 1 . 2]"
1 22 GLU 0.152 0.082 9 0 "[ . 1 . 2]"
1 23 ALA 0.550 0.111 14 0 "[ . 1 . 2]"
1 24 LEU 5.726 0.574 8 1 "[ . + 1 . 2]"
1 25 ALA 0.092 0.092 7 0 "[ . 1 . 2]"
1 26 HIS 0.474 0.182 20 0 "[ . 1 . 2]"
1 27 ALA 9.884 0.533 17 1 "[ . 1 . + 2]"
1 28 ASP 0.512 0.149 19 0 "[ . 1 . 2]"
1 29 ALA 1.866 0.376 16 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 HIS 2.213 0.537 20 1 "[ . 1 . +]"
1 35 LEU 2.461 0.376 16 0 "[ . 1 . 2]"
1 36 ASP 1.040 0.329 4 0 "[ . 1 . 2]"
1 37 PHE 1.763 0.450 2 0 "[ . 1 . 2]"
1 38 ASP 0.879 0.316 3 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TRP 9.989 0.533 17 2 "[ * . 1 . + 2]"
1 41 ARG 0.993 0.172 10 0 "[ . 1 . 2]"
1 42 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 2.288 0.290 2 0 "[ . 1 . 2]"
1 44 LEU 3.829 0.400 4 0 "[ . 1 . 2]"
1 45 LYS 0.781 0.229 11 0 "[ . 1 . 2]"
1 46 CYS 0.027 0.027 19 0 "[ . 1 . 2]"
1 47 ARG 0.028 0.027 19 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 HIS 1.330 0.185 2 0 "[ . 1 . 2]"
1 50 ALA 0.137 0.130 17 0 "[ . 1 . 2]"
1 51 ASP 0.002 0.002 15 0 "[ . 1 . 2]"
1 52 ALA 0.161 0.072 15 0 "[ . 1 . 2]"
1 53 ASP 0.271 0.097 7 0 "[ . 1 . 2]"
1 54 ILE 1.854 0.229 11 0 "[ . 1 . 2]"
1 55 GLU 0.207 0.161 13 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 1.247 0.294 6 0 "[ . 1 . 2]"
1 58 PHE 2.315 0.389 15 0 "[ . 1 . 2]"
1 59 ALA 0.756 0.345 5 0 "[ . 1 . 2]"
1 60 LYS 3.182 0.332 14 0 "[ . 1 . 2]"
1 61 TYR 2.069 0.248 18 0 "[ . 1 . 2]"
1 62 ASP 0.010 0.010 14 0 "[ . 1 . 2]"
1 63 VAL 2.281 0.543 6 1 "[ .+ 1 . 2]"
1 64 ASP 0.170 0.112 5 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 1.450 0.327 14 0 "[ . 1 . 2]"
1 68 VAL 4.792 0.537 20 1 "[ . 1 . +]"
1 69 LEU 3.899 0.543 6 1 "[ .+ 1 . 2]"
1 70 ASP 0.283 0.279 6 0 "[ . 1 . 2]"
1 71 ALA 1.095 0.376 2 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.467 0.192 18 0 "[ . 1 . 2]"
1 74 GLN 1.498 0.225 14 0 "[ . 1 . 2]"
1 75 MET 1.669 0.376 2 0 "[ . 1 . 2]"
1 76 LYS 3.395 0.440 2 0 "[ . 1 . 2]"
1 77 MET 2.636 0.332 14 0 "[ . 1 . 2]"
1 78 ALA 3.913 0.574 8 1 "[ . + 1 . 2]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASP 2.044 0.619 8 1 "[ . + 1 . 2]"
1 81 LEU 3.236 0.619 8 1 "[ . + 1 . 2]"
1 82 GLU 0.451 0.252 4 0 "[ . 1 . 2]"
1 83 GLY 1.038 0.221 4 0 "[ . 1 . 2]"
1 84 GLN 1.068 0.386 10 0 "[ . 1 . 2]"
1 85 LYS 1.331 0.350 19 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.647 0.386 10 0 "[ . 1 . 2]"
1 89 ASN 1.022 0.350 19 0 "[ . 1 . 2]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.516 0.168 20 0 "[ . 1 . 2]"
1 93 ALA 0.039 0.039 16 0 "[ . 1 . 2]"
1 94 GLU 0.039 0.039 16 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY H 1 3 LEU H 4.420 . 6.420 3.169 1.797 4.336 0.003 13 0 "[ . 1 . 2]" 1
2 1 2 GLY QA 1 3 LEU H 2.970 . 4.970 2.462 2.180 2.915 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY QA 1 3 LEU HG 5.180 . 7.180 4.895 3.176 6.233 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 3 LEU QD 3.920 . 5.920 2.714 1.851 4.142 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU H 1 3 LEU HG 2.890 . 4.890 3.394 2.031 4.737 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU HA 1 4 VAL H 2.830 . 4.830 2.875 2.066 3.567 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU QD 1 4 VAL H 5.200 . 7.200 3.809 3.135 4.407 . 0 0 "[ . 1 . 2]" 1
8 1 4 VAL H 1 4 VAL HB 3.330 . 5.330 3.182 2.578 3.838 . 0 0 "[ . 1 . 2]" 1
9 1 4 VAL H 1 4 VAL QG 3.160 . 5.160 2.197 1.793 2.763 0.007 11 0 "[ . 1 . 2]" 1
10 1 4 VAL HB 1 5 PRO QD 4.970 . 6.690 3.467 2.164 4.481 . 0 0 "[ . 1 . 2]" 1
11 1 4 VAL QG 1 5 PRO QB 5.500 . 7.500 4.508 3.585 5.022 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL QG 1 5 PRO QD 4.640 . 6.480 2.944 2.219 3.546 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL QG 1 8 SER QB 5.390 . 7.390 6.266 3.633 7.618 0.228 3 0 "[ . 1 . 2]" 1
14 1 5 PRO QB 1 6 ARG H 4.220 . 6.220 3.139 2.408 3.906 . 0 0 "[ . 1 . 2]" 1
15 1 5 PRO QD 1 6 ARG H 5.250 . 7.250 3.660 2.365 5.036 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO QG 1 6 ARG H 4.740 . 6.740 3.730 1.801 4.777 . 0 0 "[ . 1 . 2]" 1
17 1 6 ARG H 1 6 ARG QB 3.200 . 5.200 2.534 2.240 3.345 . 0 0 "[ . 1 . 2]" 1
18 1 6 ARG HA 1 7 GLY H 3.530 . 5.530 2.919 2.196 3.567 . 0 0 "[ . 1 . 2]" 1
19 1 6 ARG QB 1 7 GLY H 5.040 . 7.040 2.944 2.092 4.064 . 0 0 "[ . 1 . 2]" 1
20 1 6 ARG QB 1 7 GLY QA 5.500 . 7.500 3.935 3.515 4.668 . 0 0 "[ . 1 . 2]" 1
21 1 6 ARG QD 1 7 GLY H 5.500 . 7.500 5.003 4.263 5.995 . 0 0 "[ . 1 . 2]" 1
22 1 9 HIS QB 1 10 MET H 4.360 . 6.360 2.921 1.891 4.059 . 0 0 "[ . 1 . 2]" 1
23 1 9 HIS HD2 1 10 MET H 5.500 . 7.500 5.028 3.656 6.822 . 0 0 "[ . 1 . 2]" 1
24 1 9 HIS HE1 1 13 LYS QD 4.910 . 6.910 5.153 2.535 6.990 0.080 18 0 "[ . 1 . 2]" 1
25 1 9 HIS HE1 1 13 LYS QG 5.210 . 7.210 5.347 2.770 7.114 . 0 0 "[ . 1 . 2]" 1
26 1 10 MET H 1 10 MET QG 4.420 . 6.420 2.478 1.942 4.118 . 0 0 "[ . 1 . 2]" 1
27 1 10 MET HA 1 92 LEU QD 5.500 . 7.500 5.093 4.009 7.668 0.168 20 0 "[ . 1 . 2]" 1
28 1 10 MET QG 1 11 ALA H 5.500 . 7.440 3.841 2.012 4.489 . 0 0 "[ . 1 . 2]" 1
29 1 10 MET QG 1 12 SER H 5.500 . 7.500 5.576 4.492 6.301 . 0 0 "[ . 1 . 2]" 1
30 1 10 MET QG 1 92 LEU QB 5.500 . 7.500 6.106 4.836 7.521 0.021 5 0 "[ . 1 . 2]" 1
31 1 10 MET QG 1 92 LEU QD 4.350 . 6.350 3.836 2.352 6.301 . 0 0 "[ . 1 . 2]" 1
32 1 10 MET QG 1 92 LEU HG 5.500 . 7.500 5.805 3.823 7.557 0.057 3 0 "[ . 1 . 2]" 1
33 1 11 ALA H 1 11 ALA MB 3.240 . 5.240 2.241 2.233 2.249 . 0 0 "[ . 1 . 2]" 1
34 1 11 ALA H 1 12 SER QB 4.920 . 6.920 4.795 4.482 5.050 . 0 0 "[ . 1 . 2]" 1
35 1 11 ALA H 1 14 ARG QD 5.500 . 7.500 6.438 4.224 7.589 0.089 17 0 "[ . 1 . 2]" 1
36 1 11 ALA H 1 92 LEU QD 4.030 . 6.030 4.128 3.221 5.873 . 0 0 "[ . 1 . 2]" 1
37 1 11 ALA H 1 92 LEU HG 5.500 . 7.500 6.659 4.680 7.657 0.157 16 0 "[ . 1 . 2]" 1
38 1 11 ALA HA 1 14 ARG H 4.960 . 6.960 3.557 3.305 3.877 . 0 0 "[ . 1 . 2]" 1
39 1 11 ALA HA 1 14 ARG QB 5.500 . 7.500 2.916 2.476 3.341 . 0 0 "[ . 1 . 2]" 1
40 1 11 ALA HA 1 14 ARG QG 5.460 . 7.460 4.425 2.499 5.165 . 0 0 "[ . 1 . 2]" 1
41 1 11 ALA HA 1 92 LEU QD 4.770 . 6.770 3.737 2.484 5.529 . 0 0 "[ . 1 . 2]" 1
42 1 11 ALA MB 1 12 SER H 3.540 . 5.540 2.474 2.207 2.732 . 0 0 "[ . 1 . 2]" 1
43 1 11 ALA MB 1 12 SER QB 5.500 . 7.500 3.989 3.706 4.512 . 0 0 "[ . 1 . 2]" 1
44 1 11 ALA MB 1 92 LEU QD 3.670 . 5.670 3.617 2.575 4.854 . 0 0 "[ . 1 . 2]" 1
45 1 12 SER H 1 12 SER QB 3.480 . 5.480 2.382 2.252 2.567 . 0 0 "[ . 1 . 2]" 1
46 1 12 SER H 1 14 ARG QD 5.500 . 7.500 7.006 5.502 7.648 0.148 17 0 "[ . 1 . 2]" 1
47 1 12 SER QB 1 13 LYS H 4.170 . 6.170 2.910 2.476 3.409 . 0 0 "[ . 1 . 2]" 1
48 1 13 LYS H 1 13 LYS QB 3.520 . 5.520 2.356 2.216 2.524 . 0 0 "[ . 1 . 2]" 1
49 1 13 LYS H 1 13 LYS QG 4.410 . 6.410 2.995 2.034 4.107 . 0 0 "[ . 1 . 2]" 1
50 1 13 LYS QG 1 14 ARG H 5.170 . 7.170 3.942 3.647 4.266 . 0 0 "[ . 1 . 2]" 1
51 1 14 ARG H 1 14 ARG QD 5.500 . 7.500 4.323 3.605 4.804 . 0 0 "[ . 1 . 2]" 1
52 1 14 ARG H 1 14 ARG QG 3.170 . 5.170 3.449 1.902 4.086 . 0 0 "[ . 1 . 2]" 1
53 1 14 ARG HA 1 88 LEU QD 4.040 . 6.040 3.446 2.265 6.123 0.083 2 0 "[ . 1 . 2]" 1
54 1 14 ARG QB 1 92 LEU QD 4.470 . 6.470 4.115 2.306 6.551 0.081 4 0 "[ . 1 . 2]" 1
55 1 14 ARG QD 1 92 LEU QD 5.340 . 7.340 3.982 2.243 6.292 . 0 0 "[ . 1 . 2]" 1
56 1 15 ASP H 1 15 ASP QB 3.250 . 5.250 2.354 2.255 2.518 . 0 0 "[ . 1 . 2]" 1
57 1 15 ASP H 1 16 LYS H 3.570 . 5.570 2.589 2.437 2.732 . 0 0 "[ . 1 . 2]" 1
58 1 16 LYS H 1 16 LYS QG 4.850 . 6.850 3.283 2.096 4.014 . 0 0 "[ . 1 . 2]" 1
59 1 16 LYS HA 1 17 ILE MD 5.500 . 7.500 6.176 4.834 6.568 . 0 0 "[ . 1 . 2]" 1
60 1 16 LYS HA 1 19 ASP H 4.170 . 6.170 3.717 3.311 4.179 . 0 0 "[ . 1 . 2]" 1
61 1 16 LYS HA 1 19 ASP QB 5.500 . 7.500 3.220 2.175 4.458 . 0 0 "[ . 1 . 2]" 1
62 1 16 LYS HA 1 49 HIS HE1 4.800 . 6.800 4.772 3.724 6.859 0.059 4 0 "[ . 1 . 2]" 1
63 1 16 LYS QB 1 17 ILE H 3.250 . 5.250 2.496 2.154 3.502 . 0 0 "[ . 1 . 2]" 1
64 1 16 LYS QB 1 17 ILE HA 4.410 . 6.410 3.961 3.738 4.478 . 0 0 "[ . 1 . 2]" 1
65 1 16 LYS QB 1 17 ILE QG 5.500 . 7.500 3.284 2.698 4.583 . 0 0 "[ . 1 . 2]" 1
66 1 16 LYS QB 1 49 HIS HE1 5.500 . 7.500 4.875 3.673 6.210 . 0 0 "[ . 1 . 2]" 1
67 1 16 LYS QD 1 49 HIS HE1 5.500 . 7.500 4.073 2.468 6.602 . 0 0 "[ . 1 . 2]" 1
68 1 16 LYS QE 1 20 ILE MD 4.830 . 6.830 4.149 2.472 6.888 0.058 4 0 "[ . 1 . 2]" 1
69 1 16 LYS QE 1 20 ILE MG 5.500 . 7.500 6.583 4.938 7.623 0.123 20 0 "[ . 1 . 2]" 1
70 1 16 LYS QE 1 49 HIS HE1 4.040 . 6.040 4.262 2.261 6.225 0.185 2 0 "[ . 1 . 2]" 1
71 1 16 LYS QG 1 17 ILE HA 5.500 . 7.500 4.665 3.103 5.835 . 0 0 "[ . 1 . 2]" 1
72 1 16 LYS QG 1 20 ILE HA 5.500 . 7.500 6.458 5.658 7.730 0.230 20 0 "[ . 1 . 2]" 1
73 1 16 LYS QG 1 20 ILE HB 5.500 . 7.500 5.158 3.940 6.373 . 0 0 "[ . 1 . 2]" 1
74 1 16 LYS QG 1 20 ILE QG 5.500 . 7.500 3.905 3.016 5.839 . 0 0 "[ . 1 . 2]" 1
75 1 16 LYS QG 1 49 HIS HE1 4.190 . 6.190 3.454 2.376 5.552 . 0 0 "[ . 1 . 2]" 1
76 1 17 ILE H 1 17 ILE HB 3.240 . 5.240 2.774 2.245 3.633 . 0 0 "[ . 1 . 2]" 1
77 1 17 ILE H 1 17 ILE MD 4.120 . 6.120 3.427 2.842 4.051 . 0 0 "[ . 1 . 2]" 1
78 1 17 ILE H 1 17 ILE QG 3.570 . 5.570 2.009 1.926 2.721 . 0 0 "[ . 1 . 2]" 1
79 1 17 ILE H 1 17 ILE MG 4.040 . 6.040 3.487 2.158 3.814 . 0 0 "[ . 1 . 2]" 1
80 1 17 ILE HA 1 17 ILE MD 4.480 . 6.480 3.631 2.210 4.223 . 0 0 "[ . 1 . 2]" 1
81 1 17 ILE HA 1 19 ASP H 5.300 . 7.300 4.326 3.801 4.876 . 0 0 "[ . 1 . 2]" 1
82 1 17 ILE HA 1 20 ILE HB 4.990 . 6.990 2.588 2.342 5.052 . 0 0 "[ . 1 . 2]" 1
83 1 17 ILE HA 1 20 ILE MG 4.900 . 6.900 3.877 3.675 4.079 . 0 0 "[ . 1 . 2]" 1
84 1 17 ILE HA 1 21 GLN H 5.500 . 7.500 3.668 3.048 6.148 . 0 0 "[ . 1 . 2]" 1
85 1 17 ILE HA 1 81 LEU QD 5.500 . 7.500 3.686 3.017 4.904 . 0 0 "[ . 1 . 2]" 1
86 1 17 ILE HB 1 18 ALA H 3.650 . 5.650 2.743 2.296 3.936 . 0 0 "[ . 1 . 2]" 1
87 1 17 ILE MD 1 21 GLN H 5.500 . 7.500 6.016 4.403 6.934 . 0 0 "[ . 1 . 2]" 1
88 1 17 ILE MD 1 21 GLN QB 4.950 . 6.950 5.328 3.995 6.408 . 0 0 "[ . 1 . 2]" 1
89 1 17 ILE MD 1 82 GLU H 5.500 . 7.500 6.096 4.384 7.752 0.252 4 0 "[ . 1 . 2]" 1
90 1 17 ILE MD 1 83 GLY H 5.500 . 7.500 6.720 5.985 7.721 0.221 4 0 "[ . 1 . 2]" 1
91 1 17 ILE MD 1 84 GLN QG 5.180 . 7.180 3.865 2.304 5.953 . 0 0 "[ . 1 . 2]" 1
92 1 17 ILE MD 1 85 LYS H 4.920 . 6.920 4.256 3.161 6.322 . 0 0 "[ . 1 . 2]" 1
93 1 17 ILE QG 1 18 ALA H 4.180 . 6.180 3.575 1.939 4.261 . 0 0 "[ . 1 . 2]" 1
94 1 17 ILE QG 1 81 LEU QB 5.370 . 7.370 4.874 2.453 7.058 . 0 0 "[ . 1 . 2]" 1
95 1 17 ILE QG 1 85 LYS H 5.500 . 7.500 5.937 4.513 7.026 . 0 0 "[ . 1 . 2]" 1
96 1 17 ILE MG 1 18 ALA MB 4.250 . 6.250 4.375 2.718 5.197 . 0 0 "[ . 1 . 2]" 1
97 1 17 ILE MG 1 21 GLN H 5.070 . 7.070 3.990 2.963 5.477 . 0 0 "[ . 1 . 2]" 1
98 1 17 ILE MG 1 21 GLN HE21 5.500 . 7.500 4.367 2.356 7.504 0.004 4 0 "[ . 1 . 2]" 1
99 1 17 ILE MG 1 21 GLN QG 4.460 . 6.460 3.917 2.062 6.449 . 0 0 "[ . 1 . 2]" 1
100 1 17 ILE MG 1 81 LEU QB 4.250 . 6.250 3.232 2.130 4.486 . 0 0 "[ . 1 . 2]" 1
101 1 17 ILE MG 1 82 GLU H 4.310 . 6.310 5.550 4.186 6.352 0.042 6 0 "[ . 1 . 2]" 1
102 1 17 ILE MG 1 82 GLU HA 4.460 . 6.460 5.082 3.786 6.609 0.149 3 0 "[ . 1 . 2]" 1
103 1 17 ILE MG 1 83 GLY H 5.100 . 7.100 6.666 5.883 7.197 0.097 5 0 "[ . 1 . 2]" 1
104 1 17 ILE MG 1 84 GLN QG 5.500 . 7.500 4.943 2.433 7.521 0.021 2 0 "[ . 1 . 2]" 1
105 1 17 ILE MG 1 85 LYS H 4.800 . 6.800 4.673 3.724 6.240 . 0 0 "[ . 1 . 2]" 1
106 1 17 ILE MG 1 85 LYS QE 5.250 . 7.250 4.628 2.241 7.559 0.309 6 0 "[ . 1 . 2]" 1
107 1 18 ALA H 1 18 ALA MB 3.130 . 5.130 2.238 2.219 2.247 . 0 0 "[ . 1 . 2]" 1
108 1 18 ALA HA 1 21 GLN H 4.140 . 6.140 3.813 3.251 4.319 . 0 0 "[ . 1 . 2]" 1
109 1 18 ALA MB 1 19 ASP H 3.490 . 5.490 2.530 2.106 2.996 . 0 0 "[ . 1 . 2]" 1
110 1 19 ASP H 1 19 ASP QB 3.500 . 5.500 2.388 2.222 2.531 . 0 0 "[ . 1 . 2]" 1
111 1 19 ASP H 1 21 GLN H 4.890 . 6.890 4.020 3.835 4.270 . 0 0 "[ . 1 . 2]" 1
112 1 19 ASP HA 1 23 ALA H 4.880 . 6.880 4.002 3.599 4.424 . 0 0 "[ . 1 . 2]" 1
113 1 19 ASP QB 1 20 ILE MD 5.500 . 7.500 4.468 4.164 5.623 . 0 0 "[ . 1 . 2]" 1
114 1 19 ASP QB 1 20 ILE MG 5.500 . 7.500 5.192 4.393 5.846 . 0 0 "[ . 1 . 2]" 1
115 1 19 ASP QB 1 23 ALA H 5.500 . 7.500 5.082 4.675 5.467 . 0 0 "[ . 1 . 2]" 1
116 1 19 ASP QB 1 23 ALA MB 5.500 . 7.500 4.221 3.726 4.699 . 0 0 "[ . 1 . 2]" 1
117 1 19 ASP QB 1 49 HIS HE1 5.500 . 7.500 5.231 3.891 7.061 . 0 0 "[ . 1 . 2]" 1
118 1 20 ILE H 1 20 ILE MD 4.070 . 6.070 3.606 3.461 4.353 . 0 0 "[ . 1 . 2]" 1
119 1 20 ILE H 1 20 ILE QG 4.490 . 6.490 2.511 2.000 3.997 . 0 0 "[ . 1 . 2]" 1
120 1 20 ILE H 1 20 ILE MG 4.220 . 6.220 3.729 2.277 3.841 . 0 0 "[ . 1 . 2]" 1
121 1 20 ILE H 1 23 ALA H 5.060 . 7.060 4.951 4.802 5.144 . 0 0 "[ . 1 . 2]" 1
122 1 20 ILE HA 1 20 ILE MD 4.230 . 6.230 3.868 3.776 3.896 . 0 0 "[ . 1 . 2]" 1
123 1 20 ILE HA 1 23 ALA H 4.460 . 6.460 3.960 3.652 4.186 . 0 0 "[ . 1 . 2]" 1
124 1 20 ILE HA 1 23 ALA MB 4.000 . 6.000 2.574 2.383 2.937 . 0 0 "[ . 1 . 2]" 1
125 1 20 ILE HA 1 24 LEU H 5.310 . 7.310 3.802 3.588 4.779 . 0 0 "[ . 1 . 2]" 1
126 1 20 ILE HA 1 44 LEU QD 4.930 . 6.930 3.498 2.239 4.529 . 0 0 "[ . 1 . 2]" 1
127 1 20 ILE HB 1 21 GLN H 4.900 . 6.900 2.784 2.524 4.018 . 0 0 "[ . 1 . 2]" 1
128 1 20 ILE HB 1 40 TRP HH2 5.500 . 7.500 5.242 4.541 7.787 0.287 4 0 "[ . 1 . 2]" 1
129 1 20 ILE HB 1 44 LEU QD 5.500 . 7.500 4.221 3.987 4.719 . 0 0 "[ . 1 . 2]" 1
130 1 20 ILE HB 1 57 VAL QG 5.200 . 7.020 5.988 5.180 6.835 . 0 0 "[ . 1 . 2]" 1
131 1 20 ILE MD 1 21 GLN H 5.280 . 7.280 4.632 4.433 5.016 . 0 0 "[ . 1 . 2]" 1
132 1 20 ILE MD 1 40 TRP HH2 4.010 . 6.010 3.994 2.594 4.908 . 0 0 "[ . 1 . 2]" 1
133 1 20 ILE MD 1 40 TRP HZ3 5.500 . 7.500 5.786 4.505 6.597 . 0 0 "[ . 1 . 2]" 1
134 1 20 ILE MD 1 44 LEU QD 4.510 . 6.510 2.506 2.071 3.309 . 0 0 "[ . 1 . 2]" 1
135 1 20 ILE MD 1 47 ARG QD 5.500 . 7.500 6.093 2.890 7.325 . 0 0 "[ . 1 . 2]" 1
136 1 20 ILE MD 1 49 HIS HE1 3.510 . 5.510 4.654 3.837 5.507 . 0 0 "[ . 1 . 2]" 1
137 1 20 ILE MD 1 57 VAL H 5.170 . 7.170 6.973 6.429 7.464 0.294 6 0 "[ . 1 . 2]" 1
138 1 20 ILE MD 1 57 VAL HB 5.280 . 7.280 5.059 4.496 5.742 . 0 0 "[ . 1 . 2]" 1
139 1 20 ILE MD 1 57 VAL QG 3.720 . 5.720 3.352 2.788 3.999 . 0 0 "[ . 1 . 2]" 1
140 1 20 ILE QG 1 21 GLN H 5.500 . 7.500 4.166 3.844 4.323 . 0 0 "[ . 1 . 2]" 1
141 1 20 ILE QG 1 40 TRP HH2 4.550 . 6.550 4.907 2.693 5.694 . 0 0 "[ . 1 . 2]" 1
142 1 20 ILE QG 1 40 TRP HZ2 5.270 . 6.120 4.848 3.941 5.550 . 0 0 "[ . 1 . 2]" 1
143 1 20 ILE QG 1 40 TRP HZ3 4.360 . 6.360 6.155 4.146 6.881 0.521 2 2 "[ + . 1 . - 2]" 1
144 1 20 ILE QG 1 44 LEU QB 5.500 . 7.500 4.013 3.546 4.859 . 0 0 "[ . 1 . 2]" 1
145 1 20 ILE QG 1 44 LEU QD 4.410 . 6.410 2.387 2.005 2.838 . 0 0 "[ . 1 . 2]" 1
146 1 20 ILE QG 1 49 HIS HE1 5.500 . 7.500 5.044 3.936 6.253 . 0 0 "[ . 1 . 2]" 1
147 1 20 ILE QG 1 57 VAL QG 4.830 . 6.830 4.903 4.314 5.819 . 0 0 "[ . 1 . 2]" 1
148 1 20 ILE MG 1 21 GLN H 4.230 . 6.230 3.411 2.358 3.718 . 0 0 "[ . 1 . 2]" 1
149 1 20 ILE MG 1 21 GLN QG 5.190 . 7.190 4.688 3.781 5.476 . 0 0 "[ . 1 . 2]" 1
150 1 20 ILE MG 1 40 TRP HH2 3.590 . 5.590 2.670 2.189 5.593 0.003 4 0 "[ . 1 . 2]" 1
151 1 20 ILE MG 1 40 TRP HZ2 4.020 . 6.020 3.480 2.709 6.160 0.140 4 0 "[ . 1 . 2]" 1
152 1 20 ILE MG 1 44 LEU QD 4.780 . 6.780 2.363 2.003 4.294 . 0 0 "[ . 1 . 2]" 1
153 1 20 ILE MG 1 49 HIS HE1 5.500 . 7.500 7.114 6.173 7.616 0.116 17 0 "[ . 1 . 2]" 1
154 1 20 ILE MG 1 57 VAL HB 5.320 . 7.320 6.319 5.477 7.559 0.239 4 0 "[ . 1 . 2]" 1
155 1 20 ILE MG 1 57 VAL QG 3.950 . 5.950 4.419 3.429 5.202 . 0 0 "[ . 1 . 2]" 1
156 1 21 GLN H 1 21 GLN QB 3.460 . 5.460 2.246 2.107 2.305 . 0 0 "[ . 1 . 2]" 1
157 1 21 GLN H 1 21 GLN HE21 5.420 . 7.420 5.754 4.588 6.323 . 0 0 "[ . 1 . 2]" 1
158 1 21 GLN H 1 21 GLN QG 4.470 . 6.470 3.642 2.477 4.114 . 0 0 "[ . 1 . 2]" 1
159 1 21 GLN H 1 22 GLU H 3.810 . 5.810 2.857 2.527 2.939 . 0 0 "[ . 1 . 2]" 1
160 1 21 GLN HA 1 24 LEU H 4.100 . 6.100 4.340 4.196 4.480 . 0 0 "[ . 1 . 2]" 1
161 1 21 GLN HA 1 24 LEU HG 4.570 . 6.570 5.729 3.295 6.453 . 0 0 "[ . 1 . 2]" 1
162 1 21 GLN HA 1 25 ALA MB 5.500 . 7.500 3.850 3.517 4.637 . 0 0 "[ . 1 . 2]" 1
163 1 21 GLN QB 1 22 GLU H 4.930 . 6.930 2.237 2.151 2.428 . 0 0 "[ . 1 . 2]" 1
164 1 21 GLN QB 1 81 LEU QD 4.430 . 6.430 3.876 2.327 5.471 . 0 0 "[ . 1 . 2]" 1
165 1 21 GLN HE21 1 22 GLU H 5.500 . 7.500 6.264 4.864 6.851 . 0 0 "[ . 1 . 2]" 1
166 1 21 GLN HE21 1 82 GLU H 4.800 . 6.800 5.358 3.771 6.788 . 0 0 "[ . 1 . 2]" 1
167 1 21 GLN HE21 1 82 GLU HA 5.340 . 7.340 4.953 3.142 6.960 . 0 0 "[ . 1 . 2]" 1
168 1 21 GLN HE21 1 82 GLU QB 5.500 . 7.500 5.322 3.979 7.193 . 0 0 "[ . 1 . 2]" 1
169 1 21 GLN HE21 1 82 GLU QG 5.500 . 7.500 4.787 2.871 6.330 . 0 0 "[ . 1 . 2]" 1
170 1 21 GLN HE22 1 82 GLU H 5.070 . 7.070 5.574 3.771 6.677 . 0 0 "[ . 1 . 2]" 1
171 1 21 GLN HE22 1 82 GLU HA 5.350 . 7.350 4.645 2.983 6.449 . 0 0 "[ . 1 . 2]" 1
172 1 21 GLN HE22 1 82 GLU QB 5.500 . 7.500 5.143 3.446 6.777 . 0 0 "[ . 1 . 2]" 1
173 1 21 GLN QG 1 24 LEU HG 4.950 . 6.950 6.739 4.890 7.332 0.382 17 0 "[ . 1 . 2]" 1
174 1 21 GLN QG 1 25 ALA MB 5.300 . 7.300 3.450 2.785 4.846 . 0 0 "[ . 1 . 2]" 1
175 1 21 GLN QG 1 81 LEU H 5.500 . 7.500 6.855 4.960 7.681 0.181 15 0 "[ . 1 . 2]" 1
176 1 21 GLN QG 1 81 LEU QB 5.500 . 7.500 4.089 3.018 5.181 . 0 0 "[ . 1 . 2]" 1
177 1 21 GLN QG 1 81 LEU QD 5.500 . 6.660 3.544 2.282 5.133 . 0 0 "[ . 1 . 2]" 1
178 1 21 GLN QG 1 81 LEU HG 5.500 . 6.970 5.521 3.990 7.098 0.128 11 0 "[ . 1 . 2]" 1
179 1 21 GLN QG 1 82 GLU H 5.500 . 7.500 6.273 5.075 7.023 . 0 0 "[ . 1 . 2]" 1
180 1 22 GLU H 1 22 GLU QB 3.340 . 5.340 2.447 2.262 2.561 . 0 0 "[ . 1 . 2]" 1
181 1 22 GLU H 1 22 GLU QG 4.470 . 6.470 2.383 1.945 4.012 . 0 0 "[ . 1 . 2]" 1
182 1 22 GLU H 1 23 ALA H 3.550 . 5.550 2.849 2.674 2.895 . 0 0 "[ . 1 . 2]" 1
183 1 22 GLU H 1 23 ALA MB 4.540 . 6.540 4.384 4.308 4.438 . 0 0 "[ . 1 . 2]" 1
184 1 22 GLU HA 1 25 ALA H 5.070 . 7.070 3.947 3.779 4.102 . 0 0 "[ . 1 . 2]" 1
185 1 22 GLU HA 1 25 ALA MB 4.270 . 6.270 2.476 2.376 2.634 . 0 0 "[ . 1 . 2]" 1
186 1 22 GLU QB 1 23 ALA H 4.300 . 6.300 2.349 2.116 3.377 . 0 0 "[ . 1 . 2]" 1
187 1 22 GLU QB 1 23 ALA HA 5.470 . 7.470 3.794 3.674 4.281 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLU QG 1 23 ALA H 5.380 . 7.380 3.589 1.718 4.340 0.082 9 0 "[ . 1 . 2]" 1
189 1 22 GLU QG 1 25 ALA MB 5.500 . 7.500 4.243 3.887 5.025 . 0 0 "[ . 1 . 2]" 1
190 1 22 GLU QG 1 26 HIS HD2 5.500 . 7.500 5.684 3.325 7.304 . 0 0 "[ . 1 . 2]" 1
191 1 23 ALA H 1 23 ALA MB 3.330 . 5.330 2.267 2.227 2.300 . 0 0 "[ . 1 . 2]" 1
192 1 23 ALA H 1 25 ALA H 5.000 . 7.000 4.762 4.644 4.885 . 0 0 "[ . 1 . 2]" 1
193 1 23 ALA H 1 25 ALA MB 5.110 . 7.110 4.937 4.836 5.010 . 0 0 "[ . 1 . 2]" 1
194 1 23 ALA H 1 26 HIS H 5.500 . 7.500 4.766 4.673 4.837 . 0 0 "[ . 1 . 2]" 1
195 1 23 ALA H 1 26 HIS QB 5.500 . 7.500 4.632 4.494 4.837 . 0 0 "[ . 1 . 2]" 1
196 1 23 ALA H 1 43 GLU QG 5.500 . 7.500 5.614 5.098 6.666 . 0 0 "[ . 1 . 2]" 1
197 1 23 ALA H 1 44 LEU QD 5.330 . 7.330 5.759 4.302 6.541 . 0 0 "[ . 1 . 2]" 1
198 1 23 ALA H 1 44 LEU HG 5.500 . 7.500 6.951 5.907 7.611 0.111 14 0 "[ . 1 . 2]" 1
199 1 23 ALA H 1 47 ARG QD 5.500 . 7.500 5.186 4.032 7.501 0.001 2 0 "[ . 1 . 2]" 1
200 1 23 ALA HA 1 25 ALA H 5.500 . 7.500 5.291 5.191 5.373 . 0 0 "[ . 1 . 2]" 1
201 1 23 ALA HA 1 26 HIS H 4.350 . 6.350 4.574 4.342 4.706 . 0 0 "[ . 1 . 2]" 1
202 1 23 ALA HA 1 26 HIS QB 5.500 . 7.500 3.804 3.551 4.176 . 0 0 "[ . 1 . 2]" 1
203 1 23 ALA HA 1 27 ALA H 5.190 . 7.190 5.465 5.253 5.615 . 0 0 "[ . 1 . 2]" 1
204 1 23 ALA HA 1 27 ALA MB 4.920 . 6.920 3.912 3.521 4.034 . 0 0 "[ . 1 . 2]" 1
205 1 23 ALA HA 1 43 GLU QG 4.970 . 6.750 4.391 3.885 5.386 . 0 0 "[ . 1 . 2]" 1
206 1 23 ALA HA 1 44 LEU QD 5.500 . 7.500 5.892 4.347 7.044 . 0 0 "[ . 1 . 2]" 1
207 1 23 ALA MB 1 24 LEU H 3.710 . 5.710 2.168 2.080 2.280 . 0 0 "[ . 1 . 2]" 1
208 1 23 ALA MB 1 40 TRP HH2 5.270 . 7.270 6.661 5.561 7.363 0.093 17 0 "[ . 1 . 2]" 1
209 1 23 ALA MB 1 40 TRP HZ3 5.290 . 7.290 6.345 4.830 7.183 . 0 0 "[ . 1 . 2]" 1
210 1 23 ALA MB 1 43 GLU H 4.820 . 6.820 6.421 6.083 6.894 0.074 6 0 "[ . 1 . 2]" 1
211 1 23 ALA MB 1 43 GLU QB 4.760 . 6.760 4.286 3.893 4.868 . 0 0 "[ . 1 . 2]" 1
212 1 23 ALA MB 1 43 GLU QG 4.260 . 5.940 2.539 2.118 3.874 . 0 0 "[ . 1 . 2]" 1
213 1 23 ALA MB 1 44 LEU HA 5.120 . 7.120 3.946 3.238 4.586 . 0 0 "[ . 1 . 2]" 1
214 1 23 ALA MB 1 44 LEU QD 4.010 . 6.010 3.420 2.031 4.354 . 0 0 "[ . 1 . 2]" 1
215 1 23 ALA MB 1 44 LEU HG 4.750 . 6.750 4.142 3.074 4.825 . 0 0 "[ . 1 . 2]" 1
216 1 23 ALA MB 1 47 ARG QD 4.780 . 6.780 3.052 2.075 5.487 . 0 0 "[ . 1 . 2]" 1
217 1 24 LEU H 1 24 LEU QD 4.790 . 6.790 3.611 2.532 3.797 . 0 0 "[ . 1 . 2]" 1
218 1 24 LEU H 1 24 LEU HG 4.370 . 6.370 4.080 1.958 4.678 . 0 0 "[ . 1 . 2]" 1
219 1 24 LEU H 1 25 ALA H 3.780 . 5.780 2.825 2.801 2.850 . 0 0 "[ . 1 . 2]" 1
220 1 24 LEU H 1 25 ALA MB 4.380 . 6.380 4.389 4.294 4.488 . 0 0 "[ . 1 . 2]" 1
221 1 24 LEU H 1 26 HIS H 4.980 . 6.980 4.467 4.233 4.619 . 0 0 "[ . 1 . 2]" 1
222 1 24 LEU H 1 40 TRP HH2 5.420 . 7.420 6.716 5.573 7.331 . 0 0 "[ . 1 . 2]" 1
223 1 24 LEU H 1 40 TRP HZ3 5.140 . 7.140 5.895 4.530 6.703 . 0 0 "[ . 1 . 2]" 1
224 1 24 LEU H 1 43 GLU QG 5.240 . 7.240 4.015 3.429 4.582 . 0 0 "[ . 1 . 2]" 1
225 1 24 LEU H 1 44 LEU QD 5.500 . 7.500 4.391 3.198 5.978 . 0 0 "[ . 1 . 2]" 1
226 1 24 LEU HA 1 27 ALA MB 4.430 . 6.430 2.199 2.127 2.313 . 0 0 "[ . 1 . 2]" 1
227 1 24 LEU HA 1 35 LEU QD 5.170 . 6.560 4.986 4.341 5.889 . 0 0 "[ . 1 . 2]" 1
228 1 24 LEU HA 1 40 TRP HZ3 4.800 . 6.800 5.836 4.622 6.398 . 0 0 "[ . 1 . 2]" 1
229 1 24 LEU QB 1 25 ALA H 5.030 . 7.030 2.196 2.029 3.118 . 0 0 "[ . 1 . 2]" 1
230 1 24 LEU QD 1 25 ALA H 4.370 . 6.370 3.314 2.055 3.674 . 0 0 "[ . 1 . 2]" 1
231 1 24 LEU QD 1 40 TRP HH2 5.440 . 7.440 3.766 2.576 4.993 . 0 0 "[ . 1 . 2]" 1
232 1 24 LEU QD 1 40 TRP HZ3 3.860 . 5.860 2.278 2.017 3.417 . 0 0 "[ . 1 . 2]" 1
233 1 24 LEU QD 1 77 MET QB 5.500 . 7.500 4.997 4.359 5.902 . 0 0 "[ . 1 . 2]" 1
234 1 24 LEU QD 1 78 ALA H 3.850 . 5.850 5.962 4.950 6.424 0.574 8 1 "[ . + 1 . 2]" 1
235 1 24 LEU QD 1 78 ALA HA 4.400 . 6.400 5.676 4.749 6.275 . 0 0 "[ . 1 . 2]" 1
236 1 24 LEU QD 1 78 ALA MB 4.500 . 6.500 4.894 3.827 5.730 . 0 0 "[ . 1 . 2]" 1
237 1 24 LEU HG 1 25 ALA H 5.500 . 7.500 3.307 1.708 4.408 0.092 7 0 "[ . 1 . 2]" 1
238 1 24 LEU HG 1 25 ALA HA 5.500 . 7.500 3.825 3.065 6.474 . 0 0 "[ . 1 . 2]" 1
239 1 24 LEU HG 1 25 ALA MB 4.710 . 6.710 4.432 3.332 5.773 . 0 0 "[ . 1 . 2]" 1
240 1 24 LEU HG 1 40 TRP HZ3 5.500 . 7.500 4.814 2.481 5.382 . 0 0 "[ . 1 . 2]" 1
241 1 25 ALA H 1 25 ALA MB 3.170 . 5.170 2.267 2.238 2.311 . 0 0 "[ . 1 . 2]" 1
242 1 25 ALA H 1 26 HIS H 3.550 . 5.550 3.043 2.996 3.094 . 0 0 "[ . 1 . 2]" 1
243 1 25 ALA H 1 26 HIS QB 5.190 . 7.190 4.940 4.831 5.160 . 0 0 "[ . 1 . 2]" 1
244 1 25 ALA H 1 27 ALA H 4.300 . 6.300 4.181 4.067 4.284 . 0 0 "[ . 1 . 2]" 1
245 1 25 ALA H 1 27 ALA MB 4.900 . 6.900 4.351 4.271 4.461 . 0 0 "[ . 1 . 2]" 1
246 1 25 ALA H 1 28 ASP H 5.500 . 7.500 5.403 5.307 5.477 . 0 0 "[ . 1 . 2]" 1
247 1 25 ALA H 1 43 GLU QG 5.370 . 7.370 5.897 5.302 6.718 . 0 0 "[ . 1 . 2]" 1
248 1 25 ALA MB 1 26 HIS H 3.700 . 5.700 2.122 2.053 2.178 . 0 0 "[ . 1 . 2]" 1
249 1 25 ALA MB 1 26 HIS QB 5.500 . 7.390 3.589 3.394 3.956 . 0 0 "[ . 1 . 2]" 1
250 1 25 ALA MB 1 27 ALA H 4.900 . 6.900 4.095 4.051 4.122 . 0 0 "[ . 1 . 2]" 1
251 1 26 HIS H 1 26 HIS HD2 4.660 . 6.660 4.924 2.650 5.441 . 0 0 "[ . 1 . 2]" 1
252 1 26 HIS H 1 27 ALA H 3.350 . 5.350 3.033 2.909 3.095 . 0 0 "[ . 1 . 2]" 1
253 1 26 HIS H 1 27 ALA MB 4.150 . 6.150 4.248 4.096 4.391 . 0 0 "[ . 1 . 2]" 1
254 1 26 HIS H 1 43 GLU QG 5.210 . 7.020 6.752 6.227 7.202 0.182 20 0 "[ . 1 . 2]" 1
255 1 26 HIS QB 1 27 ALA H 4.330 . 6.330 3.866 3.787 3.905 . 0 0 "[ . 1 . 2]" 1
256 1 27 ALA H 1 27 ALA MB 3.290 . 5.290 2.504 2.457 2.555 . 0 0 "[ . 1 . 2]" 1
257 1 27 ALA H 1 43 GLU QG 4.570 . 6.570 5.914 5.025 6.610 0.040 1 0 "[ . 1 . 2]" 1
258 1 27 ALA HA 1 43 GLU QB 5.500 . 7.500 6.618 5.836 7.130 . 0 0 "[ . 1 . 2]" 1
259 1 27 ALA HA 1 43 GLU QG 5.500 . 7.480 5.418 4.474 6.152 . 0 0 "[ . 1 . 2]" 1
260 1 27 ALA MB 1 28 ASP H 4.160 . 6.160 2.204 2.147 2.234 . 0 0 "[ . 1 . 2]" 1
261 1 27 ALA MB 1 35 LEU QD 3.640 . 5.640 4.959 3.972 5.693 0.053 16 0 "[ . 1 . 2]" 1
262 1 27 ALA MB 1 39 GLU QB 4.920 . 6.920 5.280 4.407 6.324 . 0 0 "[ . 1 . 2]" 1
263 1 27 ALA MB 1 40 TRP HA 4.910 . 6.910 6.327 5.426 6.829 . 0 0 "[ . 1 . 2]" 1
264 1 27 ALA MB 1 40 TRP HE3 4.390 . 6.390 6.658 5.737 6.923 0.533 17 1 "[ . 1 . + 2]" 1
265 1 27 ALA MB 1 40 TRP HZ3 5.500 . 7.500 6.922 5.839 7.427 . 0 0 "[ . 1 . 2]" 1
266 1 27 ALA MB 1 43 GLU H 4.390 . 6.390 6.339 5.681 6.680 0.290 2 0 "[ . 1 . 2]" 1
267 1 27 ALA MB 1 43 GLU QB 4.430 . 6.430 4.041 3.370 4.347 . 0 0 "[ . 1 . 2]" 1
268 1 27 ALA MB 1 43 GLU QG 3.810 . 5.810 3.051 2.163 3.583 . 0 0 "[ . 1 . 2]" 1
269 1 27 ALA MB 1 44 LEU QD 5.500 . 7.500 5.332 4.113 6.963 . 0 0 "[ . 1 . 2]" 1
270 1 27 ALA MB 1 44 LEU HG 5.470 . 7.470 7.406 6.408 7.870 0.400 4 0 "[ . 1 . 2]" 1
271 1 28 ASP H 1 28 ASP QB 3.610 . 5.610 2.838 2.494 3.104 . 0 0 "[ . 1 . 2]" 1
272 1 28 ASP H 1 35 LEU QD 4.220 . 6.220 5.719 4.734 6.319 0.099 4 0 "[ . 1 . 2]" 1
273 1 28 ASP HA 1 29 ALA H 3.550 . 5.550 2.655 2.443 2.763 . 0 0 "[ . 1 . 2]" 1
274 1 28 ASP HA 1 30 ASN H 4.150 . 6.150 3.873 3.246 3.980 . 0 0 "[ . 1 . 2]" 1
275 1 28 ASP QB 1 29 ALA MB 5.500 . 7.500 5.101 4.972 5.224 . 0 0 "[ . 1 . 2]" 1
276 1 28 ASP QB 1 35 LEU QD 4.300 . 6.300 5.803 4.029 6.449 0.149 19 0 "[ . 1 . 2]" 1
277 1 29 ALA H 1 29 ALA MB 3.340 . 5.340 2.229 2.206 2.271 . 0 0 "[ . 1 . 2]" 1
278 1 29 ALA H 1 30 ASN H 3.440 . 5.440 2.761 2.211 2.866 . 0 0 "[ . 1 . 2]" 1
279 1 29 ALA H 1 30 ASN QB 5.500 . 7.500 4.836 4.080 5.134 . 0 0 "[ . 1 . 2]" 1
280 1 29 ALA H 1 31 ALA H 4.310 . 6.310 3.687 3.591 3.996 . 0 0 "[ . 1 . 2]" 1
281 1 29 ALA H 1 35 LEU QD 4.720 . 6.720 6.531 5.355 7.096 0.376 16 0 "[ . 1 . 2]" 1
282 1 29 ALA MB 1 30 ASN H 3.410 . 5.410 2.329 2.279 2.812 . 0 0 "[ . 1 . 2]" 1
283 1 29 ALA MB 1 31 ALA H 4.550 . 6.550 4.128 4.075 4.522 . 0 0 "[ . 1 . 2]" 1
284 1 29 ALA MB 1 39 GLU QG 4.910 . 6.910 4.789 3.339 6.845 . 0 0 "[ . 1 . 2]" 1
285 1 30 ASN H 1 32 ASP H 4.440 . 6.440 4.457 3.970 4.686 . 0 0 "[ . 1 . 2]" 1
286 1 30 ASN QB 1 31 ALA H 4.470 . 6.470 3.283 3.040 3.766 . 0 0 "[ . 1 . 2]" 1
287 1 30 ASN QB 1 32 ASP QB 5.500 . 7.500 3.282 2.726 4.034 . 0 0 "[ . 1 . 2]" 1
288 1 30 ASN HD21 1 32 ASP QB 5.500 . 7.500 4.979 2.509 6.946 . 0 0 "[ . 1 . 2]" 1
289 1 30 ASN HD22 1 31 ALA H 5.500 . 7.500 5.803 4.457 6.312 . 0 0 "[ . 1 . 2]" 1
290 1 31 ALA H 1 31 ALA MB 3.310 . 5.310 2.828 2.650 2.925 . 0 0 "[ . 1 . 2]" 1
291 1 31 ALA H 1 32 ASP H 3.650 . 5.650 2.980 2.800 3.212 . 0 0 "[ . 1 . 2]" 1
292 1 31 ALA H 1 32 ASP QB 5.500 . 7.500 4.834 4.437 5.067 . 0 0 "[ . 1 . 2]" 1
293 1 31 ALA H 1 33 GLN H 5.320 . 7.320 4.570 4.442 4.949 . 0 0 "[ . 1 . 2]" 1
294 1 31 ALA HA 1 33 GLN H 5.390 . 7.390 3.320 3.188 3.525 . 0 0 "[ . 1 . 2]" 1
295 1 31 ALA HA 1 34 HIS H 4.990 . 6.990 5.834 5.538 6.028 . 0 0 "[ . 1 . 2]" 1
296 1 31 ALA MB 1 32 ASP H 4.040 . 6.040 3.757 3.721 3.788 . 0 0 "[ . 1 . 2]" 1
297 1 31 ALA MB 1 33 GLN H 5.290 . 7.290 4.503 4.348 4.664 . 0 0 "[ . 1 . 2]" 1
298 1 31 ALA MB 1 33 GLN HA 5.500 . 7.500 5.821 5.583 6.022 . 0 0 "[ . 1 . 2]" 1
299 1 32 ASP H 1 33 GLN H 3.370 . 5.370 2.048 1.915 2.150 . 0 0 "[ . 1 . 2]" 1
300 1 32 ASP H 1 33 GLN HA 5.040 . 7.040 4.282 4.133 4.388 . 0 0 "[ . 1 . 2]" 1
301 1 32 ASP H 1 34 HIS H 4.170 . 6.170 3.694 3.365 4.040 . 0 0 "[ . 1 . 2]" 1
302 1 32 ASP QB 1 33 GLN H 5.390 . 7.390 3.405 2.930 3.781 . 0 0 "[ . 1 . 2]" 1
303 1 33 GLN H 1 33 GLN HE21 5.500 . 7.500 5.489 3.072 6.945 . 0 0 "[ . 1 . 2]" 1
304 1 33 GLN H 1 33 GLN QG 4.570 . 6.570 3.367 2.674 4.406 . 0 0 "[ . 1 . 2]" 1
305 1 33 GLN H 1 34 HIS H 3.470 . 5.470 2.677 2.586 2.775 . 0 0 "[ . 1 . 2]" 1
306 1 33 GLN H 1 34 HIS QB 5.500 . 7.500 4.900 4.654 5.172 . 0 0 "[ . 1 . 2]" 1
307 1 33 GLN HA 1 33 GLN QG 3.610 . 5.610 2.565 2.290 3.354 . 0 0 "[ . 1 . 2]" 1
308 1 33 GLN QB 1 71 ALA MB 5.500 . 7.500 3.637 2.238 5.891 . 0 0 "[ . 1 . 2]" 1
309 1 33 GLN QG 1 34 HIS H 3.960 . 5.960 4.376 3.224 4.665 . 0 0 "[ . 1 . 2]" 1
310 1 33 GLN QG 1 71 ALA MB 4.930 . 6.930 4.209 2.664 5.736 . 0 0 "[ . 1 . 2]" 1
311 1 34 HIS H 1 34 HIS HD2 5.500 . 7.500 4.931 3.231 5.693 . 0 0 "[ . 1 . 2]" 1
312 1 34 HIS H 1 35 LEU H 4.580 . 6.580 4.375 4.309 4.468 . 0 0 "[ . 1 . 2]" 1
313 1 34 HIS H 1 35 LEU QB 5.470 . 7.470 5.778 5.412 6.031 . 0 0 "[ . 1 . 2]" 1
314 1 34 HIS H 1 71 ALA MB 5.500 . 7.500 6.203 4.600 7.606 0.106 9 0 "[ . 1 . 2]" 1
315 1 34 HIS H 1 74 GLN HE21 4.750 . 6.750 5.703 4.642 6.710 . 0 0 "[ . 1 . 2]" 1
316 1 34 HIS HA 1 35 LEU H 3.500 . 5.500 2.244 2.081 2.451 . 0 0 "[ . 1 . 2]" 1
317 1 34 HIS HA 1 70 ASP H 5.500 . 7.500 5.518 4.188 7.399 . 0 0 "[ . 1 . 2]" 1
318 1 34 HIS QB 1 35 LEU H 4.360 . 6.360 2.985 2.191 3.685 . 0 0 "[ . 1 . 2]" 1
319 1 34 HIS QB 1 68 VAL HB 5.500 . 7.500 6.517 3.409 8.037 0.537 20 1 "[ . 1 . +]" 1
320 1 34 HIS QB 1 68 VAL QG 3.920 . 5.920 4.028 2.102 5.775 . 0 0 "[ . 1 . 2]" 1
321 1 34 HIS HD2 1 35 LEU H 5.500 . 7.500 4.379 2.155 6.107 . 0 0 "[ . 1 . 2]" 1
322 1 34 HIS HD2 1 68 VAL QG . . 5.370 4.044 2.212 5.518 0.148 9 0 "[ . 1 . 2]" 1
323 1 34 HIS HD2 1 70 ASP H 5.500 . 7.500 5.784 3.605 7.779 0.279 6 0 "[ . 1 . 2]" 1
324 1 34 HIS HD2 1 70 ASP QB 5.500 . 7.490 4.365 2.349 6.817 . 0 0 "[ . 1 . 2]" 1
325 1 34 HIS HD2 1 71 ALA H 5.500 . 7.500 5.830 3.518 7.808 0.308 20 0 "[ . 1 . 2]" 1
326 1 35 LEU H 1 35 LEU HG 5.500 . 7.500 3.799 2.231 4.629 . 0 0 "[ . 1 . 2]" 1
327 1 35 LEU H 1 36 ASP H 4.870 . 6.870 4.127 3.748 4.448 . 0 0 "[ . 1 . 2]" 1
328 1 35 LEU H 1 68 VAL QG 4.100 . 6.100 4.524 3.116 6.130 0.030 12 0 "[ . 1 . 2]" 1
329 1 35 LEU H 1 69 LEU H 4.510 . 6.510 3.875 2.538 4.716 . 0 0 "[ . 1 . 2]" 1
330 1 35 LEU H 1 69 LEU QB 4.500 . 6.500 4.619 2.647 5.931 . 0 0 "[ . 1 . 2]" 1
331 1 35 LEU H 1 74 GLN HE21 3.910 . 5.910 3.984 3.043 5.592 . 0 0 "[ . 1 . 2]" 1
332 1 35 LEU H 1 74 GLN QG 5.300 . 7.300 5.547 4.610 7.013 . 0 0 "[ . 1 . 2]" 1
333 1 35 LEU HA 1 36 ASP H 3.240 . 5.240 2.146 2.038 2.254 . 0 0 "[ . 1 . 2]" 1
334 1 35 LEU HA 1 39 GLU H 5.500 . 7.500 5.595 5.001 6.115 . 0 0 "[ . 1 . 2]" 1
335 1 35 LEU QB 1 69 LEU QD 4.960 . 6.960 2.987 2.018 5.698 . 0 0 "[ . 1 . 2]" 1
336 1 35 LEU QB 1 74 GLN HE21 5.500 . 7.500 3.667 2.107 4.652 . 0 0 "[ . 1 . 2]" 1
337 1 35 LEU QD 1 36 ASP H 4.060 . 6.060 3.640 2.042 4.050 . 0 0 "[ . 1 . 2]" 1
338 1 35 LEU QD 1 37 PHE HA 5.500 . 7.500 5.564 3.753 6.459 . 0 0 "[ . 1 . 2]" 1
339 1 35 LEU QD 1 39 GLU H 5.010 . 7.010 5.552 4.160 6.591 . 0 0 "[ . 1 . 2]" 1
340 1 35 LEU QD 1 39 GLU QB 3.930 . 5.930 3.491 2.094 4.598 . 0 0 "[ . 1 . 2]" 1
341 1 35 LEU QD 1 39 GLU QG 5.500 . 7.500 4.118 2.052 5.766 . 0 0 "[ . 1 . 2]" 1
342 1 35 LEU QD 1 40 TRP H 4.370 . 6.370 4.271 2.894 5.569 . 0 0 "[ . 1 . 2]" 1
343 1 35 LEU QD 1 40 TRP QB 4.820 . 6.820 3.247 2.119 4.135 . 0 0 "[ . 1 . 2]" 1
344 1 35 LEU QD 1 40 TRP HE3 4.390 . 6.340 2.580 2.094 3.392 . 0 0 "[ . 1 . 2]" 1
345 1 35 LEU QD 1 40 TRP HH2 5.500 . 7.500 4.815 4.149 6.147 . 0 0 "[ . 1 . 2]" 1
346 1 35 LEU QD 1 40 TRP HZ3 5.260 . 6.800 3.152 2.508 4.342 . 0 0 "[ . 1 . 2]" 1
347 1 35 LEU QD 1 58 PHE QE 5.500 . 7.500 4.066 2.338 6.590 . 0 0 "[ . 1 . 2]" 1
348 1 35 LEU QD 1 69 LEU QD 4.250 . 6.250 3.239 2.134 5.395 . 0 0 "[ . 1 . 2]" 1
349 1 35 LEU QD 1 74 GLN HA 5.320 . 7.320 4.238 3.194 5.798 . 0 0 "[ . 1 . 2]" 1
350 1 35 LEU QD 1 74 GLN QB 5.420 . 7.420 3.757 2.880 5.001 . 0 0 "[ . 1 . 2]" 1
351 1 35 LEU HG 1 74 GLN HE21 5.500 . 7.500 4.021 1.891 6.415 . 0 0 "[ . 1 . 2]" 1
352 1 36 ASP H 1 37 PHE H 5.440 . 7.440 4.483 4.420 4.620 . 0 0 "[ . 1 . 2]" 1
353 1 36 ASP H 1 38 ASP H 5.500 . 7.500 5.235 5.005 5.420 . 0 0 "[ . 1 . 2]" 1
354 1 36 ASP H 1 39 GLU H 4.820 . 6.820 4.022 3.711 4.234 . 0 0 "[ . 1 . 2]" 1
355 1 36 ASP H 1 39 GLU QB 5.500 . 7.500 2.921 2.692 3.264 . 0 0 "[ . 1 . 2]" 1
356 1 36 ASP HA 1 38 ASP H 5.430 . 7.430 4.389 4.163 4.862 . 0 0 "[ . 1 . 2]" 1
357 1 36 ASP HA 1 39 GLU H 5.500 . 7.500 5.025 4.822 5.268 . 0 0 "[ . 1 . 2]" 1
358 1 36 ASP HA 1 68 VAL H 5.500 . 7.500 6.649 5.010 7.498 . 0 0 "[ . 1 . 2]" 1
359 1 36 ASP HA 1 69 LEU H 4.430 . 6.430 4.903 4.023 6.422 . 0 0 "[ . 1 . 2]" 1
360 1 36 ASP QB 1 37 PHE H 3.830 . 5.830 3.112 2.292 3.686 . 0 0 "[ . 1 . 2]" 1
361 1 36 ASP QB 1 37 PHE QB 5.500 . 7.500 4.262 3.590 4.877 . 0 0 "[ . 1 . 2]" 1
362 1 36 ASP QB 1 38 ASP H 4.330 . 6.330 3.249 2.978 3.748 . 0 0 "[ . 1 . 2]" 1
363 1 36 ASP QB 1 39 GLU H 4.300 . 6.300 3.326 2.753 4.383 . 0 0 "[ . 1 . 2]" 1
364 1 36 ASP QB 1 68 VAL HB 5.500 . 7.500 6.845 3.821 7.829 0.329 4 0 "[ . 1 . 2]" 1
365 1 36 ASP QB 1 68 VAL QG 4.440 . 6.290 4.385 3.401 5.338 . 0 0 "[ . 1 . 2]" 1
366 1 37 PHE H 1 37 PHE QB 3.450 . 5.450 2.169 2.066 2.236 . 0 0 "[ . 1 . 2]" 1
367 1 37 PHE H 1 37 PHE QD 4.340 . 6.340 3.858 2.975 4.181 . 0 0 "[ . 1 . 2]" 1
368 1 37 PHE H 1 38 ASP H 4.170 . 6.170 3.073 2.989 3.140 . 0 0 "[ . 1 . 2]" 1
369 1 37 PHE H 1 58 PHE HZ 5.460 . 7.460 4.832 3.942 7.508 0.048 5 0 "[ . 1 . 2]" 1
370 1 37 PHE H 1 68 VAL QG 4.990 . 6.990 4.725 3.235 5.891 . 0 0 "[ . 1 . 2]" 1
371 1 37 PHE H 1 69 LEU H 5.470 . 7.470 6.320 5.225 7.794 0.324 9 0 "[ . 1 . 2]" 1
372 1 37 PHE H 1 69 LEU QD 5.500 . 7.500 5.610 4.373 7.950 0.450 2 0 "[ . 1 . 2]" 1
373 1 37 PHE HA 1 37 PHE QD 3.740 . 5.740 2.639 2.421 3.003 . 0 0 "[ . 1 . 2]" 1
374 1 37 PHE HA 1 37 PHE QE 5.500 . 7.500 4.404 4.291 4.551 . 0 0 "[ . 1 . 2]" 1
375 1 37 PHE HA 1 40 TRP QB 4.670 . 6.670 2.634 2.399 2.812 . 0 0 "[ . 1 . 2]" 1
376 1 37 PHE HA 1 40 TRP HD1 5.500 . 7.500 4.484 3.460 4.842 . 0 0 "[ . 1 . 2]" 1
377 1 37 PHE HA 1 40 TRP HE3 5.500 . 7.500 6.379 6.016 6.852 . 0 0 "[ . 1 . 2]" 1
378 1 37 PHE HA 1 41 ARG H 5.500 . 7.500 3.650 3.220 4.132 . 0 0 "[ . 1 . 2]" 1
379 1 37 PHE HA 1 58 PHE QD 5.500 . 7.500 5.171 4.477 6.888 . 0 0 "[ . 1 . 2]" 1
380 1 37 PHE HA 1 58 PHE QE 4.770 . 6.770 4.082 2.938 5.295 . 0 0 "[ . 1 . 2]" 1
381 1 37 PHE HA 1 58 PHE HZ 5.500 . 7.500 4.347 2.463 7.315 . 0 0 "[ . 1 . 2]" 1
382 1 37 PHE QB 1 38 ASP H 5.480 . 7.410 2.475 2.377 2.617 . 0 0 "[ . 1 . 2]" 1
383 1 37 PHE QB 1 40 TRP QB 5.500 . 7.500 4.544 4.225 4.730 . 0 0 "[ . 1 . 2]" 1
384 1 37 PHE QB 1 40 TRP HD1 5.500 . 7.500 6.004 5.065 6.423 . 0 0 "[ . 1 . 2]" 1
385 1 37 PHE QB 1 58 PHE QE 5.210 . 7.210 4.451 3.880 5.496 . 0 0 "[ . 1 . 2]" 1
386 1 37 PHE QB 1 58 PHE HZ 5.500 . 7.400 4.765 3.652 6.670 . 0 0 "[ . 1 . 2]" 1
387 1 37 PHE QB 1 67 ARG H 5.500 . 7.500 7.253 6.223 7.737 0.237 17 0 "[ . 1 . 2]" 1
388 1 37 PHE QB 1 67 ARG HA 5.500 . 7.500 5.325 4.240 6.309 . 0 0 "[ . 1 . 2]" 1
389 1 37 PHE QD 1 38 ASP H 4.640 . 6.640 3.907 3.322 4.543 . 0 0 "[ . 1 . 2]" 1
390 1 37 PHE QD 1 40 TRP HD1 4.510 . 6.510 4.620 3.354 5.293 . 0 0 "[ . 1 . 2]" 1
391 1 37 PHE QD 1 40 TRP HE1 5.500 . 7.500 6.531 5.162 7.181 . 0 0 "[ . 1 . 2]" 1
392 1 37 PHE QD 1 41 ARG QG 5.060 . 7.060 4.224 3.305 5.241 . 0 0 "[ . 1 . 2]" 1
393 1 37 PHE QD 1 69 LEU QD 5.500 . 7.500 5.665 4.742 7.241 . 0 0 "[ . 1 . 2]" 1
394 1 37 PHE QE 1 40 TRP HD1 4.900 . 6.900 4.378 3.456 5.195 . 0 0 "[ . 1 . 2]" 1
395 1 37 PHE QE 1 40 TRP HE1 5.500 . 7.500 5.851 4.321 6.805 . 0 0 "[ . 1 . 2]" 1
396 1 37 PHE QE 1 41 ARG QD 4.740 . 6.740 3.164 2.159 5.631 . 0 0 "[ . 1 . 2]" 1
397 1 37 PHE QE 1 54 ILE MD 5.140 . 7.140 4.881 2.208 7.020 . 0 0 "[ . 1 . 2]" 1
398 1 37 PHE QE 1 54 ILE MG 4.420 . 6.420 4.044 2.318 6.412 . 0 0 "[ . 1 . 2]" 1
399 1 37 PHE QE 1 55 GLU H 5.190 . 7.190 5.409 5.022 6.075 . 0 0 "[ . 1 . 2]" 1
400 1 37 PHE QE 1 58 PHE HA 5.470 . 7.470 6.303 5.499 7.510 0.040 18 0 "[ . 1 . 2]" 1
401 1 37 PHE QE 1 58 PHE QB 5.480 . 7.480 3.881 2.687 5.913 . 0 0 "[ . 1 . 2]" 1
402 1 37 PHE HZ 1 40 TRP HD1 4.340 . 6.340 5.432 4.446 6.215 . 0 0 "[ . 1 . 2]" 1
403 1 37 PHE HZ 1 41 ARG QD 5.500 . 7.500 4.798 2.448 7.576 0.076 6 0 "[ . 1 . 2]" 1
404 1 37 PHE HZ 1 54 ILE MD 5.500 . 7.500 5.206 2.336 7.610 0.110 20 0 "[ . 1 . 2]" 1
405 1 37 PHE HZ 1 54 ILE MG 4.560 . 6.560 4.365 2.236 6.565 0.005 9 0 "[ . 1 . 2]" 1
406 1 38 ASP H 1 39 GLU H 3.550 . 5.550 2.961 2.895 3.043 . 0 0 "[ . 1 . 2]" 1
407 1 38 ASP H 1 68 VAL QG 5.500 . 7.500 6.699 5.203 7.816 0.316 3 0 "[ . 1 . 2]" 1
408 1 38 ASP HA 1 41 ARG H 4.570 . 6.570 3.898 3.342 4.367 . 0 0 "[ . 1 . 2]" 1
409 1 38 ASP HA 1 41 ARG QG 5.380 . 7.380 4.784 4.305 5.213 . 0 0 "[ . 1 . 2]" 1
410 1 38 ASP QB 1 39 GLU H 3.570 . 5.570 2.254 2.145 3.195 . 0 0 "[ . 1 . 2]" 1
411 1 38 ASP QB 1 39 GLU QB 4.730 . 6.730 4.008 3.658 4.512 . 0 0 "[ . 1 . 2]" 1
412 1 39 GLU H 1 39 GLU QG 4.560 . 6.560 3.134 1.958 4.144 . 0 0 "[ . 1 . 2]" 1
413 1 40 TRP H 1 40 TRP HE3 4.900 . 6.900 4.596 4.263 4.976 . 0 0 "[ . 1 . 2]" 1
414 1 40 TRP H 1 41 ARG H 4.290 . 6.290 2.764 2.498 2.942 . 0 0 "[ . 1 . 2]" 1
415 1 40 TRP HA 1 40 TRP HE3 4.610 . 6.610 2.941 2.314 3.475 . 0 0 "[ . 1 . 2]" 1
416 1 40 TRP QB 1 41 ARG H 5.350 . 7.200 2.457 2.092 3.105 . 0 0 "[ . 1 . 2]" 1
417 1 40 TRP QB 1 58 PHE QE 5.500 . 6.610 3.626 2.430 5.427 . 0 0 "[ . 1 . 2]" 1
418 1 40 TRP HD1 1 41 ARG H 4.370 . 6.370 3.631 2.718 4.789 . 0 0 "[ . 1 . 2]" 1
419 1 40 TRP HD1 1 41 ARG HA 5.500 . 7.500 3.260 2.508 4.307 . 0 0 "[ . 1 . 2]" 1
420 1 40 TRP HD1 1 44 LEU QD 4.940 . 6.940 3.838 3.104 6.110 . 0 0 "[ . 1 . 2]" 1
421 1 40 TRP HD1 1 54 ILE HA 5.500 . 7.500 5.670 4.418 6.720 . 0 0 "[ . 1 . 2]" 1
422 1 40 TRP HD1 1 54 ILE MD 4.650 . 6.650 3.395 2.214 4.976 . 0 0 "[ . 1 . 2]" 1
423 1 40 TRP HD1 1 54 ILE MG 3.420 . 5.420 3.192 2.100 4.585 . 0 0 "[ . 1 . 2]" 1
424 1 40 TRP HD1 1 58 PHE QB 5.500 . 7.500 4.056 2.584 6.337 . 0 0 "[ . 1 . 2]" 1
425 1 40 TRP HD1 1 58 PHE QD 4.260 . 6.260 3.851 3.134 4.784 . 0 0 "[ . 1 . 2]" 1
426 1 40 TRP HD1 1 58 PHE QE 5.430 . 7.430 4.501 2.407 5.647 . 0 0 "[ . 1 . 2]" 1
427 1 40 TRP HE1 1 44 LEU QD 5.360 . 7.280 2.784 1.959 5.270 . 0 0 "[ . 1 . 2]" 1
428 1 40 TRP HE1 1 54 ILE H 5.500 . 7.500 6.296 5.435 7.089 . 0 0 "[ . 1 . 2]" 1
429 1 40 TRP HE1 1 54 ILE HA 4.860 . 6.860 4.249 3.169 5.188 . 0 0 "[ . 1 . 2]" 1
430 1 40 TRP HE1 1 54 ILE HB 5.500 . 7.500 4.343 2.020 5.747 . 0 0 "[ . 1 . 2]" 1
431 1 40 TRP HE1 1 54 ILE MD 5.500 . 7.500 3.547 1.951 4.761 . 0 0 "[ . 1 . 2]" 1
432 1 40 TRP HE1 1 54 ILE QG 5.500 . 7.500 3.472 1.776 4.806 0.024 19 0 "[ . 1 . 2]" 1
433 1 40 TRP HE1 1 54 ILE MG 3.820 . 5.820 3.017 1.652 5.042 0.148 13 0 "[ . 1 . 2]" 1
434 1 40 TRP HE1 1 55 GLU H 5.500 . 7.500 6.300 5.162 7.305 . 0 0 "[ . 1 . 2]" 1
435 1 40 TRP HE1 1 55 GLU HA 5.500 . 7.500 5.850 4.520 7.025 . 0 0 "[ . 1 . 2]" 1
436 1 40 TRP HE1 1 57 VAL H 5.420 . 7.420 5.804 5.052 6.821 . 0 0 "[ . 1 . 2]" 1
437 1 40 TRP HE1 1 57 VAL HB 4.870 . 6.870 4.445 2.866 6.307 . 0 0 "[ . 1 . 2]" 1
438 1 40 TRP HE1 1 57 VAL QG 4.850 . 6.850 3.479 2.058 5.483 . 0 0 "[ . 1 . 2]" 1
439 1 40 TRP HE1 1 58 PHE H 4.240 . 6.240 4.516 3.242 5.399 . 0 0 "[ . 1 . 2]" 1
440 1 40 TRP HE1 1 58 PHE HA 5.500 . 7.500 4.408 3.562 5.183 . 0 0 "[ . 1 . 2]" 1
441 1 40 TRP HE1 1 58 PHE QB 4.270 . 6.250 3.442 2.057 5.577 . 0 0 "[ . 1 . 2]" 1
442 1 40 TRP HE1 1 58 PHE QD 4.520 . 6.520 3.774 2.928 4.510 . 0 0 "[ . 1 . 2]" 1
443 1 40 TRP HE1 1 59 ALA H 5.500 . 7.500 6.585 5.516 7.845 0.345 5 0 "[ . 1 . 2]" 1
444 1 40 TRP HE3 1 43 GLU QG 5.500 . 7.500 5.637 4.176 6.565 . 0 0 "[ . 1 . 2]" 1
445 1 40 TRP HE3 1 44 LEU QD 5.460 . 7.460 3.692 2.906 5.041 . 0 0 "[ . 1 . 2]" 1
446 1 40 TRP HE3 1 69 LEU QD 5.500 . 7.500 5.782 4.137 7.705 0.205 2 0 "[ . 1 . 2]" 1
447 1 40 TRP HH2 1 44 LEU QD 5.150 . 6.740 3.297 2.719 4.381 . 0 0 "[ . 1 . 2]" 1
448 1 40 TRP HH2 1 57 VAL QG 3.560 . 5.560 4.578 3.401 5.488 . 0 0 "[ . 1 . 2]" 1
449 1 40 TRP HZ2 1 44 LEU QD 4.740 . 6.210 2.650 2.232 4.018 . 0 0 "[ . 1 . 2]" 1
450 1 40 TRP HZ2 1 57 VAL HA 5.500 . 7.500 6.336 5.564 7.386 . 0 0 "[ . 1 . 2]" 1
451 1 40 TRP HZ2 1 57 VAL HB 3.650 . 5.650 4.391 3.202 5.334 . 0 0 "[ . 1 . 2]" 1
452 1 40 TRP HZ2 1 57 VAL QG 3.400 . 5.400 3.051 2.219 4.455 . 0 0 "[ . 1 . 2]" 1
453 1 40 TRP HZ2 1 58 PHE QB 5.500 . 7.500 5.038 3.456 7.209 . 0 0 "[ . 1 . 2]" 1
454 1 40 TRP HZ3 1 44 LEU QD 5.480 . 7.480 3.717 2.562 5.104 . 0 0 "[ . 1 . 2]" 1
455 1 41 ARG H 1 41 ARG QD 3.870 . 5.870 4.657 4.334 4.869 . 0 0 "[ . 1 . 2]" 1
456 1 41 ARG H 1 41 ARG QG 3.600 . 5.600 4.022 3.953 4.133 . 0 0 "[ . 1 . 2]" 1
457 1 41 ARG H 1 42 GLN H 3.970 . 5.970 2.862 2.652 3.025 . 0 0 "[ . 1 . 2]" 1
458 1 41 ARG H 1 42 GLN QB 5.500 . 7.500 4.730 4.457 4.987 . 0 0 "[ . 1 . 2]" 1
459 1 41 ARG H 1 42 GLN QG 5.300 . 7.300 5.629 4.308 6.676 . 0 0 "[ . 1 . 2]" 1
460 1 41 ARG H 1 44 LEU H 5.500 . 7.500 4.915 4.787 5.022 . 0 0 "[ . 1 . 2]" 1
461 1 41 ARG H 1 45 LYS QD 5.500 . 7.500 7.120 6.844 7.483 . 0 0 "[ . 1 . 2]" 1
462 1 41 ARG H 1 54 ILE MD 5.500 . 7.500 4.829 3.803 7.067 . 0 0 "[ . 1 . 2]" 1
463 1 41 ARG H 1 54 ILE MG 5.230 . 7.230 5.207 4.195 6.943 . 0 0 "[ . 1 . 2]" 1
464 1 41 ARG HA 1 43 GLU H 5.500 . 7.500 4.704 4.575 4.779 . 0 0 "[ . 1 . 2]" 1
465 1 41 ARG HA 1 43 GLU QB 5.500 . 7.500 5.440 5.265 5.573 . 0 0 "[ . 1 . 2]" 1
466 1 41 ARG HA 1 44 LEU H 5.010 . 7.010 4.274 4.036 4.565 . 0 0 "[ . 1 . 2]" 1
467 1 41 ARG HA 1 45 LYS H 5.090 . 7.090 4.155 3.790 4.467 . 0 0 "[ . 1 . 2]" 1
468 1 41 ARG HA 1 45 LYS QG 4.000 . 6.000 5.790 3.413 6.096 0.096 8 0 "[ . 1 . 2]" 1
469 1 41 ARG HA 1 54 ILE HB 5.500 . 7.500 4.674 3.891 6.180 . 0 0 "[ . 1 . 2]" 1
470 1 41 ARG HA 1 54 ILE MD 4.360 . 6.360 2.816 2.121 5.384 . 0 0 "[ . 1 . 2]" 1
471 1 41 ARG HA 1 54 ILE QG 5.500 . 7.500 3.999 2.634 5.228 . 0 0 "[ . 1 . 2]" 1
472 1 41 ARG HA 1 54 ILE MG 3.930 . 5.930 3.460 2.390 5.125 . 0 0 "[ . 1 . 2]" 1
473 1 41 ARG QB 1 42 GLN H 5.190 . 7.190 2.215 2.042 2.340 . 0 0 "[ . 1 . 2]" 1
474 1 41 ARG QB 1 54 ILE MD 5.500 . 7.500 4.163 2.788 6.727 . 0 0 "[ . 1 . 2]" 1
475 1 41 ARG QD 1 54 ILE MD 5.060 . 7.060 4.835 3.346 7.232 0.172 10 0 "[ . 1 . 2]" 1
476 1 41 ARG QD 1 54 ILE MG 4.800 . 6.800 5.333 4.258 6.932 0.132 8 0 "[ . 1 . 2]" 1
477 1 41 ARG QG 1 42 GLN H 3.650 . 5.650 3.520 3.055 3.975 . 0 0 "[ . 1 . 2]" 1
478 1 41 ARG QG 1 42 GLN QB 5.440 . 7.380 4.570 3.659 5.311 . 0 0 "[ . 1 . 2]" 1
479 1 41 ARG QG 1 42 GLN QG 5.500 . 7.500 4.571 3.088 6.244 . 0 0 "[ . 1 . 2]" 1
480 1 41 ARG QG 1 54 ILE MD 5.020 . 6.990 3.341 2.285 6.183 . 0 0 "[ . 1 . 2]" 1
481 1 42 GLN H 1 42 GLN QB 3.470 . 5.470 2.338 2.246 2.480 . 0 0 "[ . 1 . 2]" 1
482 1 42 GLN H 1 42 GLN QG 3.810 . 5.810 3.220 2.138 4.137 . 0 0 "[ . 1 . 2]" 1
483 1 42 GLN H 1 43 GLU H 3.720 . 5.720 2.632 2.554 2.711 . 0 0 "[ . 1 . 2]" 1
484 1 42 GLN H 1 44 LEU QD 5.500 . 7.500 5.648 5.016 6.691 . 0 0 "[ . 1 . 2]" 1
485 1 42 GLN H 1 45 LYS H 5.240 . 7.240 4.693 4.551 4.913 . 0 0 "[ . 1 . 2]" 1
486 1 42 GLN H 1 45 LYS QB 5.500 . 7.500 4.445 4.299 4.682 . 0 0 "[ . 1 . 2]" 1
487 1 42 GLN HA 1 45 LYS H 4.350 . 6.350 3.642 3.495 3.813 . 0 0 "[ . 1 . 2]" 1
488 1 42 GLN HA 1 45 LYS QB 4.660 . 6.660 2.541 2.306 2.712 . 0 0 "[ . 1 . 2]" 1
489 1 42 GLN HA 1 46 CYS H 5.500 . 7.500 4.345 4.187 4.461 . 0 0 "[ . 1 . 2]" 1
490 1 42 GLN QB 1 43 GLU H 4.760 . 6.740 2.562 2.442 2.708 . 0 0 "[ . 1 . 2]" 1
491 1 42 GLN QG 1 43 GLU H 5.500 . 7.500 3.932 3.683 4.135 . 0 0 "[ . 1 . 2]" 1
492 1 42 GLN QG 1 45 LYS QB 5.500 . 7.500 4.072 3.661 4.954 . 0 0 "[ . 1 . 2]" 1
493 1 43 GLU H 1 44 LEU H 3.910 . 5.910 2.833 2.782 2.890 . 0 0 "[ . 1 . 2]" 1
494 1 43 GLU H 1 44 LEU HA 5.370 . 7.370 5.420 5.342 5.478 . 0 0 "[ . 1 . 2]" 1
495 1 43 GLU H 1 44 LEU QD 5.500 . 7.290 4.466 3.781 5.798 . 0 0 "[ . 1 . 2]" 1
496 1 43 GLU H 1 44 LEU HG 5.050 . 7.050 6.640 6.279 7.272 0.222 14 0 "[ . 1 . 2]" 1
497 1 43 GLU H 1 45 LYS H 5.030 . 7.030 3.941 3.859 4.133 . 0 0 "[ . 1 . 2]" 1
498 1 43 GLU HA 1 46 CYS QB 5.500 . 7.500 4.342 3.852 4.850 . 0 0 "[ . 1 . 2]" 1
499 1 43 GLU QB 1 44 LEU QD 5.470 . 7.470 2.857 2.106 4.620 . 0 0 "[ . 1 . 2]" 1
500 1 43 GLU QG 1 44 LEU H 5.500 . 7.500 3.484 3.327 4.255 . 0 0 "[ . 1 . 2]" 1
501 1 44 LEU H 1 44 LEU QD 4.450 . 6.270 2.624 2.039 3.782 . 0 0 "[ . 1 . 2]" 1
502 1 44 LEU H 1 44 LEU HG 3.880 . 5.880 3.925 3.634 4.506 . 0 0 "[ . 1 . 2]" 1
503 1 44 LEU H 1 45 LYS H 3.790 . 5.790 2.518 2.437 2.628 . 0 0 "[ . 1 . 2]" 1
504 1 44 LEU H 1 45 LYS QB 5.350 . 7.350 4.278 4.214 4.350 . 0 0 "[ . 1 . 2]" 1
505 1 44 LEU H 1 49 HIS HD2 5.500 . 7.500 7.000 5.680 7.679 0.179 9 0 "[ . 1 . 2]" 1
506 1 44 LEU H 1 54 ILE MG 5.500 . 7.500 5.494 4.575 7.244 . 0 0 "[ . 1 . 2]" 1
507 1 44 LEU HA 1 44 LEU QD 4.010 . 6.010 2.484 2.032 2.866 . 0 0 "[ . 1 . 2]" 1
508 1 44 LEU HA 1 46 CYS H 4.880 . 6.880 4.400 4.318 4.496 . 0 0 "[ . 1 . 2]" 1
509 1 44 LEU HA 1 47 ARG H 4.110 . 6.110 3.673 3.455 3.875 . 0 0 "[ . 1 . 2]" 1
510 1 44 LEU HA 1 47 ARG QB 5.500 . 7.500 3.064 2.559 3.423 . 0 0 "[ . 1 . 2]" 1
511 1 44 LEU HA 1 47 ARG QD 5.500 . 7.500 3.980 2.371 4.507 . 0 0 "[ . 1 . 2]" 1
512 1 44 LEU HA 1 49 HIS QB 5.040 . 7.040 4.497 4.153 4.786 . 0 0 "[ . 1 . 2]" 1
513 1 44 LEU HA 1 49 HIS HD2 4.020 . 6.020 5.011 3.502 6.046 0.026 18 0 "[ . 1 . 2]" 1
514 1 44 LEU QB 1 45 LYS H 4.360 . 6.340 2.874 2.705 3.059 . 0 0 "[ . 1 . 2]" 1
515 1 44 LEU QB 1 45 LYS QB 5.500 . 7.500 4.199 4.092 4.513 . 0 0 "[ . 1 . 2]" 1
516 1 44 LEU QB 1 46 CYS H 5.500 . 7.500 5.012 4.901 5.183 . 0 0 "[ . 1 . 2]" 1
517 1 44 LEU QB 1 47 ARG H 5.500 . 7.500 4.625 4.488 4.935 . 0 0 "[ . 1 . 2]" 1
518 1 44 LEU QB 1 48 GLY H 5.500 . 7.500 6.472 6.100 6.977 . 0 0 "[ . 1 . 2]" 1
519 1 44 LEU QB 1 49 HIS H 4.910 . 6.340 5.090 4.606 5.744 . 0 0 "[ . 1 . 2]" 1
520 1 44 LEU QB 1 49 HIS QB 5.020 . 6.410 3.080 2.583 3.637 . 0 0 "[ . 1 . 2]" 1
521 1 44 LEU QB 1 49 HIS HD2 4.720 . 6.240 3.858 2.529 5.282 . 0 0 "[ . 1 . 2]" 1
522 1 44 LEU QB 1 50 ALA H 5.500 . 7.210 6.403 5.831 6.821 . 0 0 "[ . 1 . 2]" 1
523 1 44 LEU QB 1 54 ILE MD 4.130 . 6.130 2.618 1.989 4.405 . 0 0 "[ . 1 . 2]" 1
524 1 44 LEU QB 1 54 ILE QG 5.500 . 7.500 3.509 2.518 5.048 . 0 0 "[ . 1 . 2]" 1
525 1 44 LEU QD 1 45 LYS H 5.380 . 7.180 3.977 3.823 4.202 . 0 0 "[ . 1 . 2]" 1
526 1 44 LEU QD 1 46 CYS H 5.500 . 7.500 5.342 4.959 5.620 . 0 0 "[ . 1 . 2]" 1
527 1 44 LEU QD 1 47 ARG QD 5.390 . 6.600 4.467 2.600 5.409 . 0 0 "[ . 1 . 2]" 1
528 1 44 LEU QD 1 49 HIS QB 4.690 . 6.690 3.550 2.169 4.426 . 0 0 "[ . 1 . 2]" 1
529 1 44 LEU QD 1 49 HIS HD2 4.130 . 6.130 3.252 2.240 5.296 . 0 0 "[ . 1 . 2]" 1
530 1 44 LEU QD 1 49 HIS HE1 4.540 . 6.540 5.350 3.492 6.502 . 0 0 "[ . 1 . 2]" 1
531 1 44 LEU QD 1 50 ALA H 5.500 . 7.500 6.451 5.145 7.333 . 0 0 "[ . 1 . 2]" 1
532 1 44 LEU QD 1 54 ILE H 5.310 . 7.310 5.877 4.823 6.561 . 0 0 "[ . 1 . 2]" 1
533 1 44 LEU QD 1 54 ILE HA 5.200 . 6.750 4.501 3.434 5.374 . 0 0 "[ . 1 . 2]" 1
534 1 44 LEU QD 1 54 ILE HB 5.500 . 7.500 4.651 2.765 6.413 . 0 0 "[ . 1 . 2]" 1
535 1 44 LEU QD 1 54 ILE MD 4.790 . 6.500 3.042 2.178 4.476 . 0 0 "[ . 1 . 2]" 1
536 1 44 LEU QD 1 54 ILE MG 5.120 . 6.490 3.493 2.131 5.117 . 0 0 "[ . 1 . 2]" 1
537 1 44 LEU QD 1 55 GLU H 5.500 . 7.500 6.758 5.891 7.661 0.161 13 0 "[ . 1 . 2]" 1
538 1 44 LEU QD 1 57 VAL H 5.500 . 7.500 6.279 5.013 7.615 0.115 13 0 "[ . 1 . 2]" 1
539 1 44 LEU QD 1 57 VAL HB 5.070 . 7.070 4.773 3.469 6.296 . 0 0 "[ . 1 . 2]" 1
540 1 44 LEU QD 1 57 VAL QG 5.160 . 7.160 3.498 2.289 4.776 . 0 0 "[ . 1 . 2]" 1
541 1 44 LEU QD 1 58 PHE H 5.500 . 7.500 5.948 5.248 7.289 . 0 0 "[ . 1 . 2]" 1
542 1 44 LEU HG 1 45 LYS H 5.500 . 7.500 5.181 5.055 5.514 . 0 0 "[ . 1 . 2]" 1
543 1 44 LEU HG 1 49 HIS QB 5.500 . 7.500 5.023 4.593 5.475 . 0 0 "[ . 1 . 2]" 1
544 1 44 LEU HG 1 49 HIS HD2 5.500 . 7.500 4.770 3.353 5.815 . 0 0 "[ . 1 . 2]" 1
545 1 45 LYS H 1 45 LYS QB 3.210 . 5.210 2.236 2.111 2.272 . 0 0 "[ . 1 . 2]" 1
546 1 45 LYS H 1 45 LYS QG 3.700 . 5.700 3.927 2.934 4.006 . 0 0 "[ . 1 . 2]" 1
547 1 45 LYS H 1 46 CYS H 3.610 . 5.610 2.923 2.808 3.080 . 0 0 "[ . 1 . 2]" 1
548 1 45 LYS H 1 47 ARG H 4.990 . 6.990 4.075 3.940 4.154 . 0 0 "[ . 1 . 2]" 1
549 1 45 LYS H 1 48 GLY H 5.470 . 7.470 6.194 5.877 6.380 . 0 0 "[ . 1 . 2]" 1
550 1 45 LYS H 1 54 ILE MD 4.600 . 6.600 3.797 2.435 5.281 . 0 0 "[ . 1 . 2]" 1
551 1 45 LYS H 1 54 ILE MG 5.500 . 7.500 5.227 3.968 7.540 0.040 3 0 "[ . 1 . 2]" 1
552 1 45 LYS HA 1 54 ILE MD 5.260 . 7.260 3.604 2.220 5.746 . 0 0 "[ . 1 . 2]" 1
553 1 45 LYS QB 1 46 CYS H 3.500 . 5.500 2.466 2.407 2.563 . 0 0 "[ . 1 . 2]" 1
554 1 45 LYS QB 1 54 ILE MD 5.130 . 7.130 3.715 2.395 5.136 . 0 0 "[ . 1 . 2]" 1
555 1 45 LYS QE 1 54 ILE MD 5.250 . 7.250 5.826 4.560 7.315 0.065 10 0 "[ . 1 . 2]" 1
556 1 45 LYS QG 1 46 CYS H 5.500 . 7.500 3.584 3.432 4.391 . 0 0 "[ . 1 . 2]" 1
557 1 45 LYS QG 1 54 ILE MD 3.680 . 5.680 4.409 3.147 5.909 0.229 11 0 "[ . 1 . 2]" 1
558 1 45 LYS QG 1 54 ILE QG 5.500 . 7.500 5.586 4.478 6.812 . 0 0 "[ . 1 . 2]" 1
559 1 46 CYS H 1 47 ARG H 3.590 . 5.590 2.743 2.642 2.835 . 0 0 "[ . 1 . 2]" 1
560 1 46 CYS H 1 47 ARG QD 5.500 . 7.500 5.220 3.404 6.815 . 0 0 "[ . 1 . 2]" 1
561 1 46 CYS H 1 47 ARG QG 4.410 . 6.410 4.790 3.497 6.437 0.027 19 0 "[ . 1 . 2]" 1
562 1 46 CYS QB 1 47 ARG H 5.010 . 6.970 3.431 3.150 3.863 . 0 0 "[ . 1 . 2]" 1
563 1 47 ARG H 1 47 ARG QD 5.040 . 6.730 3.686 2.225 4.706 . 0 0 "[ . 1 . 2]" 1
564 1 47 ARG H 1 48 GLY H 3.730 . 5.730 2.727 2.463 2.925 . 0 0 "[ . 1 . 2]" 1
565 1 47 ARG QB 1 48 GLY H 5.120 . 6.510 3.706 3.592 3.789 . 0 0 "[ . 1 . 2]" 1
566 1 47 ARG QD 1 48 GLY H 5.500 . 7.500 5.067 4.549 5.948 . 0 0 "[ . 1 . 2]" 1
567 1 47 ARG QG 1 48 GLY H 4.630 . 6.630 4.546 4.319 5.005 . 0 0 "[ . 1 . 2]" 1
568 1 48 GLY H 1 49 HIS QB 5.500 . 7.500 4.535 4.380 4.642 . 0 0 "[ . 1 . 2]" 1
569 1 49 HIS H 1 49 HIS QB 3.720 . 5.580 2.440 2.303 2.557 . 0 0 "[ . 1 . 2]" 1
570 1 49 HIS H 1 50 ALA H 4.660 . 6.660 4.577 4.520 4.654 . 0 0 "[ . 1 . 2]" 1
571 1 49 HIS HA 1 50 ALA H 3.160 . 5.160 2.250 2.192 2.302 . 0 0 "[ . 1 . 2]" 1
572 1 49 HIS QB 1 50 ALA H 4.260 . 6.260 2.865 2.682 3.156 . 0 0 "[ . 1 . 2]" 1
573 1 49 HIS QB 1 50 ALA MB 5.500 . 7.500 4.346 4.182 4.564 . 0 0 "[ . 1 . 2]" 1
574 1 49 HIS QB 1 54 ILE MD 4.070 . 6.070 3.135 2.137 5.244 . 0 0 "[ . 1 . 2]" 1
575 1 49 HIS QB 1 54 ILE QG 5.370 . 7.350 3.611 2.305 4.986 . 0 0 "[ . 1 . 2]" 1
576 1 49 HIS HD2 1 50 ALA H 5.500 . 7.500 5.805 5.326 6.460 . 0 0 "[ . 1 . 2]" 1
577 1 49 HIS HD2 1 54 ILE MD 5.500 . 7.500 4.924 2.274 7.010 . 0 0 "[ . 1 . 2]" 1
578 1 50 ALA H 1 50 ALA MB 3.260 . 5.260 2.271 2.237 2.318 . 0 0 "[ . 1 . 2]" 1
579 1 50 ALA H 1 53 ASP H 5.260 . 7.260 4.132 3.419 4.466 . 0 0 "[ . 1 . 2]" 1
580 1 50 ALA H 1 53 ASP QB 3.700 . 5.700 2.824 2.439 3.249 . 0 0 "[ . 1 . 2]" 1
581 1 50 ALA H 1 54 ILE H 5.400 . 7.400 4.513 4.114 5.401 . 0 0 "[ . 1 . 2]" 1
582 1 50 ALA H 1 54 ILE QG 4.720 . 6.720 5.009 3.650 6.850 0.130 17 0 "[ . 1 . 2]" 1
583 1 50 ALA MB 1 51 ASP H 3.590 . 5.590 2.414 2.132 2.788 . 0 0 "[ . 1 . 2]" 1
584 1 50 ALA MB 1 53 ASP H 3.630 . 5.630 2.444 2.322 2.605 . 0 0 "[ . 1 . 2]" 1
585 1 50 ALA MB 1 53 ASP QB 3.990 . 5.990 2.679 2.189 3.313 . 0 0 "[ . 1 . 2]" 1
586 1 50 ALA MB 1 54 ILE QG 5.150 . 7.150 5.075 4.211 6.580 . 0 0 "[ . 1 . 2]" 1
587 1 51 ASP H 1 53 ASP H 5.500 . 7.500 4.279 4.020 4.514 . 0 0 "[ . 1 . 2]" 1
588 1 51 ASP H 1 54 ILE MD 5.500 . 7.500 5.002 3.729 6.672 . 0 0 "[ . 1 . 2]" 1
589 1 51 ASP H 1 54 ILE QG 5.500 . 7.500 5.501 4.388 7.502 0.002 15 0 "[ . 1 . 2]" 1
590 1 51 ASP HA 1 53 ASP H 4.480 . 6.480 4.740 4.525 4.935 . 0 0 "[ . 1 . 2]" 1
591 1 51 ASP HA 1 54 ILE MD 5.500 . 7.500 3.118 2.169 5.513 . 0 0 "[ . 1 . 2]" 1
592 1 51 ASP HA 1 54 ILE QG 5.500 . 7.500 3.730 2.347 5.598 . 0 0 "[ . 1 . 2]" 1
593 1 51 ASP QB 1 52 ALA H 3.770 . 5.670 3.115 2.479 3.644 . 0 0 "[ . 1 . 2]" 1
594 1 51 ASP QB 1 53 ASP H 5.190 . 7.190 5.162 4.849 5.451 . 0 0 "[ . 1 . 2]" 1
595 1 51 ASP QB 1 54 ILE MD 5.500 . 7.500 4.485 2.757 6.805 . 0 0 "[ . 1 . 2]" 1
596 1 52 ALA H 1 52 ALA MB 3.010 . 5.010 2.258 2.227 2.283 . 0 0 "[ . 1 . 2]" 1
597 1 52 ALA H 1 53 ASP H 3.720 . 5.720 2.576 2.469 2.855 . 0 0 "[ . 1 . 2]" 1
598 1 52 ALA H 1 54 ILE H 4.620 . 6.620 4.080 3.743 4.266 . 0 0 "[ . 1 . 2]" 1
599 1 52 ALA H 1 54 ILE QG 5.100 . 7.100 5.426 3.907 7.172 0.072 15 0 "[ . 1 . 2]" 1
600 1 52 ALA H 1 55 GLU QB 5.500 . 7.500 5.524 4.699 6.843 . 0 0 "[ . 1 . 2]" 1
601 1 52 ALA HA 1 55 GLU H 4.370 . 6.370 3.704 3.316 4.299 . 0 0 "[ . 1 . 2]" 1
602 1 52 ALA HA 1 55 GLU QB 5.500 . 7.500 3.317 2.485 4.746 . 0 0 "[ . 1 . 2]" 1
603 1 52 ALA MB 1 53 ASP H 3.490 . 5.490 2.460 2.373 2.534 . 0 0 "[ . 1 . 2]" 1
604 1 53 ASP H 1 53 ASP QB 3.190 . 5.190 2.374 2.221 2.524 . 0 0 "[ . 1 . 2]" 1
605 1 53 ASP H 1 54 ILE H 3.440 . 5.440 2.728 2.496 2.859 . 0 0 "[ . 1 . 2]" 1
606 1 53 ASP H 1 54 ILE HA 5.240 . 7.240 5.309 5.019 5.443 . 0 0 "[ . 1 . 2]" 1
607 1 53 ASP H 1 54 ILE HB 5.500 . 7.500 5.197 4.428 6.368 . 0 0 "[ . 1 . 2]" 1
608 1 53 ASP H 1 54 ILE QG 4.400 . 6.400 4.818 3.725 6.497 0.097 7 0 "[ . 1 . 2]" 1
609 1 53 ASP H 1 55 GLU H 5.500 . 7.500 4.143 3.931 4.540 . 0 0 "[ . 1 . 2]" 1
610 1 53 ASP H 1 56 ALA MB 5.500 . 7.500 5.767 5.327 6.091 . 0 0 "[ . 1 . 2]" 1
611 1 53 ASP HA 1 55 GLU H 5.500 . 7.500 3.909 3.582 4.409 . 0 0 "[ . 1 . 2]" 1
612 1 53 ASP HA 1 56 ALA H 3.970 . 5.970 3.761 3.503 4.253 . 0 0 "[ . 1 . 2]" 1
613 1 53 ASP HA 1 57 VAL H 4.800 . 6.800 5.198 4.865 5.560 . 0 0 "[ . 1 . 2]" 1
614 1 53 ASP QB 1 54 ILE H 3.710 . 5.710 2.685 2.492 3.025 . 0 0 "[ . 1 . 2]" 1
615 1 53 ASP QB 1 54 ILE HB 5.410 . 7.410 4.764 3.881 5.448 . 0 0 "[ . 1 . 2]" 1
616 1 53 ASP QB 1 54 ILE QG 5.370 . 7.370 4.138 2.999 5.679 . 0 0 "[ . 1 . 2]" 1
617 1 53 ASP QB 1 56 ALA MB 5.070 . 7.070 4.586 3.530 5.131 . 0 0 "[ . 1 . 2]" 1
618 1 53 ASP QB 1 57 VAL QG 4.600 . 6.600 4.276 3.806 5.026 . 0 0 "[ . 1 . 2]" 1
619 1 54 ILE H 1 54 ILE MD 4.160 . 6.160 3.598 3.331 4.327 . 0 0 "[ . 1 . 2]" 1
620 1 54 ILE H 1 54 ILE QG 3.830 . 5.610 2.709 1.898 4.105 . 0 0 "[ . 1 . 2]" 1
621 1 54 ILE H 1 57 VAL QG 5.500 . 7.500 4.548 3.958 5.114 . 0 0 "[ . 1 . 2]" 1
622 1 54 ILE HA 1 57 VAL HB 5.500 . 7.500 3.657 2.637 5.200 . 0 0 "[ . 1 . 2]" 1
623 1 54 ILE HA 1 57 VAL QG 5.440 . 6.930 2.573 2.034 3.296 . 0 0 "[ . 1 . 2]" 1
624 1 54 ILE HB 1 55 GLU H 3.300 . 5.300 3.518 2.724 4.171 . 0 0 "[ . 1 . 2]" 1
625 1 54 ILE QG 1 55 GLU H 4.360 . 6.360 3.801 2.239 4.468 . 0 0 "[ . 1 . 2]" 1
626 1 54 ILE QG 1 57 VAL QG 4.830 . 6.830 3.782 2.659 5.068 . 0 0 "[ . 1 . 2]" 1
627 1 54 ILE MG 1 55 GLU H 4.170 . 6.170 3.365 2.198 4.098 . 0 0 "[ . 1 . 2]" 1
628 1 54 ILE MG 1 58 PHE H 4.970 . 6.970 4.407 3.473 5.830 . 0 0 "[ . 1 . 2]" 1
629 1 54 ILE MG 1 58 PHE QB 5.290 . 7.290 3.674 2.340 6.327 . 0 0 "[ . 1 . 2]" 1
630 1 55 GLU H 1 55 GLU QB 3.660 . 5.660 2.319 2.130 2.546 . 0 0 "[ . 1 . 2]" 1
631 1 55 GLU H 1 56 ALA MB 4.520 . 6.520 4.357 4.235 4.473 . 0 0 "[ . 1 . 2]" 1
632 1 55 GLU H 1 58 PHE H 5.350 . 7.350 4.798 4.605 5.039 . 0 0 "[ . 1 . 2]" 1
633 1 55 GLU HA 1 58 PHE H 5.000 . 7.000 3.611 3.438 3.906 . 0 0 "[ . 1 . 2]" 1
634 1 55 GLU QB 1 56 ALA H 3.640 . 5.640 2.642 2.439 3.026 . 0 0 "[ . 1 . 2]" 1
635 1 55 GLU QB 1 56 ALA MB 5.500 . 7.500 3.822 3.669 3.953 . 0 0 "[ . 1 . 2]" 1
636 1 56 ALA H 1 56 ALA MB 2.960 . 4.960 2.248 2.227 2.277 . 0 0 "[ . 1 . 2]" 1
637 1 56 ALA H 1 57 VAL H 3.730 . 5.730 2.663 2.365 2.896 . 0 0 "[ . 1 . 2]" 1
638 1 56 ALA H 1 57 VAL HB 5.500 . 7.500 5.334 4.644 6.401 . 0 0 "[ . 1 . 2]" 1
639 1 56 ALA H 1 57 VAL QG 4.260 . 6.260 3.746 3.461 4.119 . 0 0 "[ . 1 . 2]" 1
640 1 56 ALA H 1 58 PHE H 4.700 . 6.700 3.973 3.748 4.357 . 0 0 "[ . 1 . 2]" 1
641 1 56 ALA MB 1 57 VAL H 3.510 . 5.510 2.428 2.256 2.751 . 0 0 "[ . 1 . 2]" 1
642 1 56 ALA MB 1 57 VAL HA 5.220 . 7.220 3.819 3.738 3.938 . 0 0 "[ . 1 . 2]" 1
643 1 56 ALA MB 1 57 VAL QG 3.800 . 5.800 2.920 2.686 3.996 . 0 0 "[ . 1 . 2]" 1
644 1 56 ALA MB 1 59 ALA H 5.490 . 7.490 5.150 4.977 5.310 . 0 0 "[ . 1 . 2]" 1
645 1 57 VAL H 1 57 VAL HB 3.480 . 5.480 2.883 2.282 3.636 . 0 0 "[ . 1 . 2]" 1
646 1 57 VAL H 1 57 VAL QG 3.150 . 5.150 1.969 1.766 2.532 0.034 16 0 "[ . 1 . 2]" 1
647 1 57 VAL H 1 58 PHE H 3.640 . 5.640 2.593 2.312 2.772 . 0 0 "[ . 1 . 2]" 1
648 1 57 VAL H 1 58 PHE HA 5.500 . 7.500 5.196 5.041 5.364 . 0 0 "[ . 1 . 2]" 1
649 1 57 VAL H 1 60 LYS H 5.500 . 7.500 5.121 4.860 5.268 . 0 0 "[ . 1 . 2]" 1
650 1 57 VAL HA 1 60 LYS H 4.690 . 6.690 3.965 3.586 4.308 . 0 0 "[ . 1 . 2]" 1
651 1 57 VAL HA 1 60 LYS QB 4.250 . 6.250 2.975 2.334 3.700 . 0 0 "[ . 1 . 2]" 1
652 1 57 VAL HA 1 60 LYS QD 4.930 . 6.930 3.784 2.386 5.051 . 0 0 "[ . 1 . 2]" 1
653 1 57 VAL HA 1 60 LYS QG 5.500 . 7.500 4.616 3.613 5.274 . 0 0 "[ . 1 . 2]" 1
654 1 57 VAL HA 1 81 LEU QD 5.500 . 7.500 6.875 6.349 7.668 0.168 5 0 "[ . 1 . 2]" 1
655 1 57 VAL HB 1 58 PHE H 3.850 . 5.850 3.235 2.379 4.248 . 0 0 "[ . 1 . 2]" 1
656 1 57 VAL HB 1 58 PHE HA 5.500 . 7.500 4.494 4.190 5.670 . 0 0 "[ . 1 . 2]" 1
657 1 57 VAL HB 1 60 LYS QB 4.930 . 6.930 5.011 3.692 6.171 . 0 0 "[ . 1 . 2]" 1
658 1 57 VAL QG 1 58 PHE H 4.090 . 6.090 2.928 2.223 3.517 . 0 0 "[ . 1 . 2]" 1
659 1 57 VAL QG 1 58 PHE HA 4.870 . 6.870 3.444 2.965 3.851 . 0 0 "[ . 1 . 2]" 1
660 1 57 VAL QG 1 58 PHE QB 5.070 . 7.070 3.743 2.828 4.615 . 0 0 "[ . 1 . 2]" 1
661 1 57 VAL QG 1 59 ALA H 5.500 . 7.500 4.841 4.325 5.179 . 0 0 "[ . 1 . 2]" 1
662 1 57 VAL QG 1 81 LEU QD 3.850 . 5.850 4.556 3.903 5.483 . 0 0 "[ . 1 . 2]" 1
663 1 58 PHE H 1 58 PHE QB 3.700 . 5.700 2.188 2.049 2.249 . 0 0 "[ . 1 . 2]" 1
664 1 58 PHE H 1 59 ALA H 3.780 . 5.780 2.797 2.491 2.968 . 0 0 "[ . 1 . 2]" 1
665 1 58 PHE HA 1 60 LYS QB 5.500 . 7.500 4.393 3.950 5.193 . 0 0 "[ . 1 . 2]" 1
666 1 58 PHE HA 1 61 TYR H 5.100 . 7.100 4.188 3.272 4.740 . 0 0 "[ . 1 . 2]" 1
667 1 58 PHE HA 1 62 ASP H 5.500 . 7.500 5.184 3.260 6.508 . 0 0 "[ . 1 . 2]" 1
668 1 58 PHE HA 1 69 LEU QD 5.500 . 7.500 5.269 4.223 6.286 . 0 0 "[ . 1 . 2]" 1
669 1 58 PHE QB 1 59 ALA H 5.220 . 7.220 2.210 2.035 2.779 . 0 0 "[ . 1 . 2]" 1
670 1 58 PHE QD 1 59 ALA H 4.350 . 6.350 3.209 2.559 4.342 . 0 0 "[ . 1 . 2]" 1
671 1 58 PHE QD 1 59 ALA HA 5.460 . 7.460 3.380 2.652 5.115 . 0 0 "[ . 1 . 2]" 1
672 1 58 PHE QD 1 59 ALA MB 4.510 . 6.510 3.924 3.300 5.336 . 0 0 "[ . 1 . 2]" 1
673 1 58 PHE QD 1 62 ASP H 5.500 . 7.500 4.982 4.166 6.311 . 0 0 "[ . 1 . 2]" 1
674 1 58 PHE QD 1 62 ASP QB 4.670 . 6.670 3.867 2.211 5.939 . 0 0 "[ . 1 . 2]" 1
675 1 58 PHE QD 1 67 ARG H 5.500 . 7.500 6.447 4.281 7.595 0.095 16 0 "[ . 1 . 2]" 1
676 1 58 PHE QD 1 67 ARG HA 5.250 . 7.250 5.153 2.661 6.206 . 0 0 "[ . 1 . 2]" 1
677 1 58 PHE QD 1 67 ARG QB 5.500 . 7.500 6.079 4.096 7.311 . 0 0 "[ . 1 . 2]" 1
678 1 58 PHE QD 1 69 LEU QD 5.500 . 6.930 4.275 3.716 5.071 . 0 0 "[ . 1 . 2]" 1
679 1 58 PHE QE 1 59 ALA H 5.500 . 7.500 5.345 4.740 6.386 . 0 0 "[ . 1 . 2]" 1
680 1 58 PHE QE 1 67 ARG H 4.450 . 6.450 4.925 2.591 5.941 . 0 0 "[ . 1 . 2]" 1
681 1 58 PHE QE 1 67 ARG HA 4.050 . 6.050 3.430 2.351 4.007 . 0 0 "[ . 1 . 2]" 1
682 1 58 PHE QE 1 67 ARG QB 5.020 . 6.850 4.539 3.423 5.450 . 0 0 "[ . 1 . 2]" 1
683 1 58 PHE QE 1 67 ARG QD 4.130 . 6.130 5.294 3.379 6.457 0.327 14 0 "[ . 1 . 2]" 1
684 1 58 PHE QE 1 69 LEU H 5.180 . 7.180 5.707 4.718 7.094 . 0 0 "[ . 1 . 2]" 1
685 1 58 PHE QE 1 69 LEU QD 4.640 . 6.060 3.104 2.285 4.562 . 0 0 "[ . 1 . 2]" 1
686 1 58 PHE QE 1 69 LEU HG 5.500 . 7.500 4.941 3.527 6.615 . 0 0 "[ . 1 . 2]" 1
687 1 58 PHE HZ 1 67 ARG H 5.500 . 7.500 5.791 2.867 7.087 . 0 0 "[ . 1 . 2]" 1
688 1 58 PHE HZ 1 67 ARG HA 5.500 . 7.500 4.118 2.387 5.312 . 0 0 "[ . 1 . 2]" 1
689 1 58 PHE HZ 1 67 ARG QB 5.500 . 7.500 5.088 3.721 6.489 . 0 0 "[ . 1 . 2]" 1
690 1 58 PHE HZ 1 68 VAL H 5.500 . 7.500 5.523 4.401 6.320 . 0 0 "[ . 1 . 2]" 1
691 1 58 PHE HZ 1 68 VAL HB 5.500 . 7.500 7.326 6.666 7.889 0.389 15 0 "[ . 1 . 2]" 1
692 1 58 PHE HZ 1 69 LEU H 5.090 . 7.090 5.426 4.543 7.170 0.080 5 0 "[ . 1 . 2]" 1
693 1 58 PHE HZ 1 69 LEU QD 5.150 . 7.150 3.142 2.116 6.315 . 0 0 "[ . 1 . 2]" 1
694 1 59 ALA H 1 60 LYS H 3.850 . 5.850 2.877 2.428 3.074 . 0 0 "[ . 1 . 2]" 1
695 1 59 ALA H 1 61 TYR H 5.280 . 7.280 4.581 4.187 5.199 . 0 0 "[ . 1 . 2]" 1
696 1 59 ALA H 1 62 ASP H 5.500 . 7.500 5.163 4.566 5.439 . 0 0 "[ . 1 . 2]" 1
697 1 59 ALA HA 1 62 ASP H 4.170 . 6.170 3.413 3.045 4.303 . 0 0 "[ . 1 . 2]" 1
698 1 59 ALA HA 1 62 ASP QB 5.270 . 7.270 2.890 2.311 3.464 . 0 0 "[ . 1 . 2]" 1
699 1 59 ALA MB 1 60 LYS H 3.440 . 5.440 2.816 2.440 3.082 . 0 0 "[ . 1 . 2]" 1
700 1 59 ALA MB 1 61 TYR H 5.500 . 7.500 4.410 3.985 5.121 . 0 0 "[ . 1 . 2]" 1
701 1 59 ALA MB 1 62 ASP QB 4.950 . 6.950 3.807 3.152 4.618 . 0 0 "[ . 1 . 2]" 1
702 1 59 ALA MB 1 69 LEU QD 5.500 . 7.500 6.229 5.099 7.477 . 0 0 "[ . 1 . 2]" 1
703 1 60 LYS H 1 60 LYS QB 3.070 . 5.070 2.194 2.138 2.284 . 0 0 "[ . 1 . 2]" 1
704 1 60 LYS H 1 60 LYS QE 5.500 . 7.500 5.603 4.187 6.206 . 0 0 "[ . 1 . 2]" 1
705 1 60 LYS H 1 60 LYS QG 4.280 . 6.280 3.785 2.586 4.004 . 0 0 "[ . 1 . 2]" 1
706 1 60 LYS H 1 61 TYR H 3.670 . 5.670 2.867 2.504 3.062 . 0 0 "[ . 1 . 2]" 1
707 1 60 LYS H 1 61 TYR QB 5.310 . 7.310 4.865 4.409 5.337 . 0 0 "[ . 1 . 2]" 1
708 1 60 LYS H 1 69 LEU QD 5.500 . 7.500 6.566 5.822 7.721 0.221 5 0 "[ . 1 . 2]" 1
709 1 60 LYS HA 1 60 LYS QE 5.500 . 7.500 4.590 3.835 4.972 . 0 0 "[ . 1 . 2]" 1
710 1 60 LYS QB 1 61 TYR H 3.560 . 5.560 2.964 2.056 3.821 . 0 0 "[ . 1 . 2]" 1
711 1 60 LYS QD 1 61 TYR QE 5.500 . 7.180 3.479 2.423 6.016 . 0 0 "[ . 1 . 2]" 1
712 1 60 LYS QD 1 77 MET HA 4.730 . 6.730 6.801 5.648 7.062 0.332 14 0 "[ . 1 . 2]" 1
713 1 60 LYS QD 1 84 GLN HE22 5.500 . 7.500 6.013 4.422 7.492 . 0 0 "[ . 1 . 2]" 1
714 1 60 LYS QE 1 61 TYR H 5.500 . 7.500 5.982 5.384 6.852 . 0 0 "[ . 1 . 2]" 1
715 1 60 LYS QE 1 61 TYR QE 5.500 . 7.500 4.427 2.802 6.509 . 0 0 "[ . 1 . 2]" 1
716 1 60 LYS QE 1 84 GLN HE22 5.500 . 7.500 5.366 2.854 7.426 . 0 0 "[ . 1 . 2]" 1
717 1 60 LYS QG 1 61 TYR H 4.580 . 6.580 3.974 2.836 4.681 . 0 0 "[ . 1 . 2]" 1
718 1 60 LYS QG 1 61 TYR QE 4.840 . 6.840 4.341 2.946 7.039 0.199 20 0 "[ . 1 . 2]" 1
719 1 60 LYS QG 1 62 ASP H 4.710 . 6.710 5.347 4.524 6.245 . 0 0 "[ . 1 . 2]" 1
720 1 60 LYS QG 1 81 LEU QD 5.500 . 7.500 6.170 4.809 7.592 0.092 8 0 "[ . 1 . 2]" 1
721 1 61 TYR H 1 62 ASP H 3.280 . 5.280 2.039 1.931 2.278 . 0 0 "[ . 1 . 2]" 1
722 1 61 TYR H 1 62 ASP HA 5.350 . 7.350 4.701 4.526 4.862 . 0 0 "[ . 1 . 2]" 1
723 1 61 TYR H 1 69 LEU QD 4.320 . 6.320 4.771 4.045 6.158 . 0 0 "[ . 1 . 2]" 1
724 1 61 TYR QB 1 62 ASP H 4.600 . 6.360 3.049 2.414 3.460 . 0 0 "[ . 1 . 2]" 1
725 1 61 TYR QB 1 63 VAL H 5.320 . 7.320 4.636 2.795 5.746 . 0 0 "[ . 1 . 2]" 1
726 1 61 TYR QB 1 63 VAL QG 4.650 . 6.650 4.485 3.232 5.350 . 0 0 "[ . 1 . 2]" 1
727 1 61 TYR QB 1 69 LEU QD 4.630 . 6.630 2.807 2.130 4.279 . 0 0 "[ . 1 . 2]" 1
728 1 61 TYR QB 1 73 GLU QG 5.090 . 7.090 5.336 2.691 7.276 0.186 20 0 "[ . 1 . 2]" 1
729 1 61 TYR QB 1 76 LYS QD 5.500 . 7.500 6.175 4.139 7.729 0.229 12 0 "[ . 1 . 2]" 1
730 1 61 TYR QB 1 77 MET HA 5.360 . 7.360 5.199 3.310 6.577 . 0 0 "[ . 1 . 2]" 1
731 1 61 TYR QB 1 77 MET QB 5.500 . 7.440 4.124 2.629 5.469 . 0 0 "[ . 1 . 2]" 1
732 1 61 TYR QB 1 77 MET QG 5.500 . 7.500 3.995 2.923 5.290 . 0 0 "[ . 1 . 2]" 1
733 1 61 TYR QD 1 63 VAL QG 5.030 . 7.030 4.726 3.313 6.336 . 0 0 "[ . 1 . 2]" 1
734 1 61 TYR QD 1 69 LEU QD 5.500 . 7.500 4.077 2.148 5.549 . 0 0 "[ . 1 . 2]" 1
735 1 61 TYR QD 1 76 LYS QB 5.490 . 7.490 4.800 3.925 5.632 . 0 0 "[ . 1 . 2]" 1
736 1 61 TYR QD 1 76 LYS QG 5.500 . 7.500 5.202 3.667 6.869 . 0 0 "[ . 1 . 2]" 1
737 1 61 TYR QD 1 77 MET HA 5.140 . 7.140 3.913 2.601 4.785 . 0 0 "[ . 1 . 2]" 1
738 1 61 TYR QD 1 77 MET QB 5.500 . 7.500 3.856 2.847 4.693 . 0 0 "[ . 1 . 2]" 1
739 1 61 TYR QD 1 77 MET QG 5.500 . 7.500 3.281 2.462 4.245 . 0 0 "[ . 1 . 2]" 1
740 1 61 TYR QE 1 76 LYS QB 4.010 . 6.010 5.162 3.269 6.258 0.248 18 0 "[ . 1 . 2]" 1
741 1 61 TYR QE 1 76 LYS QD 5.500 . 7.500 5.376 3.202 7.052 . 0 0 "[ . 1 . 2]" 1
742 1 61 TYR QE 1 76 LYS QE 3.760 . 5.760 5.404 3.967 5.926 0.166 13 0 "[ . 1 . 2]" 1
743 1 61 TYR QE 1 77 MET H 5.410 . 7.410 5.233 3.747 6.380 . 0 0 "[ . 1 . 2]" 1
744 1 61 TYR QE 1 77 MET HA 4.710 . 6.710 3.074 2.461 4.076 . 0 0 "[ . 1 . 2]" 1
745 1 61 TYR QE 1 77 MET QG 5.500 . 7.500 3.008 2.474 3.638 . 0 0 "[ . 1 . 2]" 1
746 1 61 TYR QE 1 80 ASP H 5.380 . 7.380 5.359 4.484 6.566 . 0 0 "[ . 1 . 2]" 1
747 1 61 TYR QE 1 80 ASP QB 5.250 . 6.000 3.304 2.235 4.591 . 0 0 "[ . 1 . 2]" 1
748 1 61 TYR QE 1 81 LEU H 5.500 . 7.500 5.447 4.388 6.145 . 0 0 "[ . 1 . 2]" 1
749 1 61 TYR QE 1 81 LEU QD 4.170 . 6.170 3.448 2.263 4.661 . 0 0 "[ . 1 . 2]" 1
750 1 62 ASP H 1 63 VAL H 4.710 . 6.710 3.772 3.264 4.549 . 0 0 "[ . 1 . 2]" 1
751 1 62 ASP H 1 69 LEU QD 3.900 . 5.900 4.116 3.522 5.910 0.010 14 0 "[ . 1 . 2]" 1
752 1 62 ASP HA 1 63 VAL H 3.220 . 5.220 2.473 2.073 2.827 . 0 0 "[ . 1 . 2]" 1
753 1 62 ASP QB 1 63 VAL H 4.500 . 6.500 3.835 3.048 4.099 . 0 0 "[ . 1 . 2]" 1
754 1 62 ASP QB 1 65 GLY H 4.550 . 6.550 3.212 2.316 4.123 . 0 0 "[ . 1 . 2]" 1
755 1 62 ASP QB 1 69 LEU QD 4.670 . 5.930 3.644 2.645 5.697 . 0 0 "[ . 1 . 2]" 1
756 1 63 VAL H 1 64 ASP H 3.570 . 5.570 2.754 2.412 3.104 . 0 0 "[ . 1 . 2]" 1
757 1 63 VAL H 1 65 GLY H 4.120 . 6.120 3.748 3.141 4.264 . 0 0 "[ . 1 . 2]" 1
758 1 63 VAL H 1 69 LEU HA 5.500 . 7.500 7.233 5.897 8.043 0.543 6 1 "[ .+ 1 . 2]" 1
759 1 63 VAL H 1 69 LEU QD 4.220 . 6.220 4.175 2.709 5.812 . 0 0 "[ . 1 . 2]" 1
760 1 63 VAL H 1 73 GLU QG 4.570 . 6.310 5.265 3.610 6.320 0.010 18 0 "[ . 1 . 2]" 1
761 1 63 VAL HA 1 65 GLY H 5.180 . 7.180 4.040 3.392 4.666 . 0 0 "[ . 1 . 2]" 1
762 1 63 VAL HB 1 64 ASP H 3.790 . 5.790 3.107 2.238 4.290 . 0 0 "[ . 1 . 2]" 1
763 1 63 VAL HB 1 73 GLU QG 5.500 . 7.500 5.637 3.445 7.579 0.079 2 0 "[ . 1 . 2]" 1
764 1 63 VAL QG 1 64 ASP H 4.640 . 6.090 2.600 1.688 3.643 0.112 5 0 "[ . 1 . 2]" 1
765 1 63 VAL QG 1 64 ASP QB 5.040 . 7.040 3.655 2.431 4.859 . 0 0 "[ . 1 . 2]" 1
766 1 63 VAL QG 1 69 LEU QD 5.180 . 7.180 4.128 1.916 6.035 . 0 0 "[ . 1 . 2]" 1
767 1 63 VAL QG 1 73 GLU QG 5.380 . 6.270 3.852 2.067 6.462 0.192 18 0 "[ . 1 . 2]" 1
768 1 63 VAL QG 1 76 LYS QD 5.500 . 6.690 4.938 3.747 6.629 . 0 0 "[ . 1 . 2]" 1
769 1 63 VAL QG 1 76 LYS QG 5.500 . 7.500 5.942 4.165 7.940 0.440 2 0 "[ . 1 . 2]" 1
770 1 64 ASP H 1 65 GLY H 3.330 . 5.330 2.390 1.876 2.695 . 0 0 "[ . 1 . 2]" 1
771 1 64 ASP H 1 65 GLY QA 5.500 . 7.500 4.274 3.859 4.487 . 0 0 "[ . 1 . 2]" 1
772 1 64 ASP H 1 69 LEU QD 5.500 . 7.500 4.942 2.459 6.957 . 0 0 "[ . 1 . 2]" 1
773 1 64 ASP H 1 73 GLU QG 5.140 . 7.140 5.702 3.980 7.121 . 0 0 "[ . 1 . 2]" 1
774 1 64 ASP QB 1 65 GLY H 4.580 . 6.580 3.369 2.929 4.007 . 0 0 "[ . 1 . 2]" 1
775 1 65 GLY H 1 66 ASP H 3.640 . 5.640 2.681 2.515 3.242 . 0 0 "[ . 1 . 2]" 1
776 1 65 GLY H 1 66 ASP QB 5.210 . 7.210 4.767 4.431 5.129 . 0 0 "[ . 1 . 2]" 1
777 1 65 GLY H 1 67 ARG H 4.680 . 6.680 4.032 3.647 5.085 . 0 0 "[ . 1 . 2]" 1
778 1 65 GLY H 1 68 VAL H 5.280 . 7.280 5.701 5.332 6.357 . 0 0 "[ . 1 . 2]" 1
779 1 65 GLY QA 1 67 ARG H 5.500 . 7.500 3.149 2.774 3.523 . 0 0 "[ . 1 . 2]" 1
780 1 66 ASP H 1 67 ARG H 3.380 . 5.380 2.521 2.236 2.996 . 0 0 "[ . 1 . 2]" 1
781 1 66 ASP H 1 69 LEU QD 5.500 . 7.500 5.093 2.882 6.971 . 0 0 "[ . 1 . 2]" 1
782 1 66 ASP HA 1 68 VAL H 4.610 . 6.610 4.431 4.016 5.026 . 0 0 "[ . 1 . 2]" 1
783 1 66 ASP QB 1 67 ARG H 5.500 . 7.500 3.508 2.999 4.008 . 0 0 "[ . 1 . 2]" 1
784 1 66 ASP QB 1 68 VAL QG 5.480 . 7.480 2.931 2.017 3.857 . 0 0 "[ . 1 . 2]" 1
785 1 67 ARG H 1 67 ARG QD 3.940 . 5.940 4.777 3.880 5.623 . 0 0 "[ . 1 . 2]" 1
786 1 67 ARG H 1 67 ARG QG 4.330 . 6.330 3.215 2.563 4.386 . 0 0 "[ . 1 . 2]" 1
787 1 67 ARG H 1 68 VAL H 3.440 . 5.440 2.623 2.499 2.839 . 0 0 "[ . 1 . 2]" 1
788 1 67 ARG H 1 68 VAL HA 5.500 . 7.500 5.258 5.068 5.461 . 0 0 "[ . 1 . 2]" 1
789 1 67 ARG H 1 68 VAL QG 5.070 . 7.070 4.165 3.420 4.522 . 0 0 "[ . 1 . 2]" 1
790 1 67 ARG H 1 69 LEU QD 5.500 . 7.500 4.458 3.365 6.488 . 0 0 "[ . 1 . 2]" 1
791 1 68 VAL H 1 69 LEU H 4.930 . 6.930 4.163 3.943 4.347 . 0 0 "[ . 1 . 2]" 1
792 1 68 VAL H 1 69 LEU QD 5.010 . 7.010 3.500 2.166 5.445 . 0 0 "[ . 1 . 2]" 1
793 1 68 VAL HB 1 69 LEU H 4.500 . 6.500 4.002 3.075 4.382 . 0 0 "[ . 1 . 2]" 1
794 1 68 VAL QG 1 69 LEU H 3.710 . 5.710 2.827 2.017 3.548 . 0 0 "[ . 1 . 2]" 1
795 1 68 VAL QG 1 69 LEU QD 5.500 . 7.500 3.697 3.044 4.590 . 0 0 "[ . 1 . 2]" 1
796 1 68 VAL QG 1 70 ASP H 5.210 . 7.210 4.074 3.091 5.433 . 0 0 "[ . 1 . 2]" 1
797 1 68 VAL QG 1 70 ASP QB 5.500 . 7.500 4.413 2.954 5.732 . 0 0 "[ . 1 . 2]" 1
798 1 68 VAL QG 1 74 GLN HE21 5.500 . 7.500 7.014 6.080 7.589 0.089 7 0 "[ . 1 . 2]" 1
799 1 69 LEU H 1 69 LEU QB 3.710 . 5.710 2.951 2.266 3.308 . 0 0 "[ . 1 . 2]" 1
800 1 69 LEU H 1 69 LEU QD 3.990 . 5.990 2.609 1.881 3.749 . 0 0 "[ . 1 . 2]" 1
801 1 69 LEU H 1 70 ASP H 5.320 . 7.320 4.098 3.708 4.604 . 0 0 "[ . 1 . 2]" 1
802 1 69 LEU H 1 74 GLN HE21 5.500 . 7.500 6.363 5.105 7.244 . 0 0 "[ . 1 . 2]" 1
803 1 69 LEU H 1 74 GLN QG 5.500 . 7.500 7.211 6.248 7.725 0.225 14 0 "[ . 1 . 2]" 1
804 1 69 LEU HA 1 70 ASP H 3.570 . 5.570 2.183 2.106 2.280 . 0 0 "[ . 1 . 2]" 1
805 1 69 LEU HA 1 73 GLU H 5.500 . 7.500 4.496 3.543 6.348 . 0 0 "[ . 1 . 2]" 1
806 1 69 LEU HA 1 73 GLU QB 5.500 . 7.500 3.352 2.409 4.264 . 0 0 "[ . 1 . 2]" 1
807 1 69 LEU HA 1 74 GLN H 5.500 . 7.500 5.417 4.185 7.649 0.149 2 0 "[ . 1 . 2]" 1
808 1 69 LEU QB 1 70 ASP H 4.370 . 6.370 3.409 2.970 3.794 . 0 0 "[ . 1 . 2]" 1
809 1 69 LEU QB 1 73 GLU QB 5.500 . 7.500 2.371 1.968 4.503 . 0 0 "[ . 1 . 2]" 1
810 1 69 LEU QB 1 74 GLN H 4.350 . 6.350 3.992 3.325 5.261 . 0 0 "[ . 1 . 2]" 1
811 1 69 LEU QB 1 74 GLN HA 4.280 . 6.280 4.356 3.482 6.342 0.062 4 0 "[ . 1 . 2]" 1
812 1 69 LEU QB 1 74 GLN QB 5.500 . 7.500 4.203 3.185 6.676 . 0 0 "[ . 1 . 2]" 1
813 1 69 LEU QB 1 74 GLN QG 4.500 . 6.500 4.982 4.188 6.003 . 0 0 "[ . 1 . 2]" 1
814 1 69 LEU QD 1 70 ASP H 4.010 . 6.010 4.027 1.946 4.626 . 0 0 "[ . 1 . 2]" 1
815 1 69 LEU QD 1 73 GLU H 5.500 . 7.500 4.498 3.514 5.333 . 0 0 "[ . 1 . 2]" 1
816 1 69 LEU QD 1 73 GLU QB 5.340 . 7.040 2.613 2.123 3.485 . 0 0 "[ . 1 . 2]" 1
817 1 69 LEU QD 1 73 GLU QG 4.990 . 6.990 3.440 2.158 4.798 . 0 0 "[ . 1 . 2]" 1
818 1 69 LEU QD 1 74 GLN HA 5.320 . 7.320 3.987 2.293 6.671 . 0 0 "[ . 1 . 2]" 1
819 1 69 LEU QD 1 74 GLN QG 5.230 . 7.230 4.464 2.488 6.059 . 0 0 "[ . 1 . 2]" 1
820 1 69 LEU QD 1 77 MET QB 5.500 . 7.500 4.282 3.026 6.609 . 0 0 "[ . 1 . 2]" 1
821 1 69 LEU HG 1 73 GLU QB 5.290 . 7.240 4.059 2.484 4.802 . 0 0 "[ . 1 . 2]" 1
822 1 70 ASP H 1 71 ALA H 4.870 . 6.870 4.391 4.300 4.608 . 0 0 "[ . 1 . 2]" 1
823 1 70 ASP H 1 72 GLU H 5.500 . 7.500 3.939 3.502 5.680 . 0 0 "[ . 1 . 2]" 1
824 1 70 ASP H 1 73 GLU H 4.640 . 6.640 3.591 3.111 4.207 . 0 0 "[ . 1 . 2]" 1
825 1 70 ASP H 1 73 GLU HA 5.260 . 7.260 6.064 5.331 6.847 . 0 0 "[ . 1 . 2]" 1
826 1 70 ASP H 1 73 GLU QB 4.080 . 6.080 3.678 2.353 4.413 . 0 0 "[ . 1 . 2]" 1
827 1 70 ASP H 1 74 GLN H 4.680 . 6.680 4.668 3.899 6.397 . 0 0 "[ . 1 . 2]" 1
828 1 70 ASP H 1 74 GLN HE21 5.500 . 7.500 6.105 5.149 7.472 . 0 0 "[ . 1 . 2]" 1
829 1 70 ASP HA 1 71 ALA H 3.550 . 5.550 2.636 2.273 2.740 . 0 0 "[ . 1 . 2]" 1
830 1 70 ASP HA 1 72 GLU H 5.020 . 7.020 4.154 3.966 4.742 . 0 0 "[ . 1 . 2]" 1
831 1 70 ASP HA 1 74 GLN H 5.500 . 7.500 5.094 4.269 6.474 . 0 0 "[ . 1 . 2]" 1
832 1 70 ASP QB 1 71 ALA H 3.460 . 5.460 2.213 1.880 3.191 . 0 0 "[ . 1 . 2]" 1
833 1 70 ASP QB 1 71 ALA HA 5.500 . 7.500 4.488 4.247 4.758 . 0 0 "[ . 1 . 2]" 1
834 1 70 ASP QB 1 71 ALA MB 4.620 . 6.620 3.599 3.353 4.339 . 0 0 "[ . 1 . 2]" 1
835 1 70 ASP QB 1 72 GLU H 4.520 . 6.520 2.826 2.443 3.461 . 0 0 "[ . 1 . 2]" 1
836 1 70 ASP QB 1 72 GLU QB 5.500 . 7.500 3.483 2.751 4.499 . 0 0 "[ . 1 . 2]" 1
837 1 70 ASP QB 1 74 GLN H 5.500 . 7.500 5.069 4.028 5.665 . 0 0 "[ . 1 . 2]" 1
838 1 71 ALA H 1 71 ALA MB 3.130 . 5.130 2.228 2.182 2.269 . 0 0 "[ . 1 . 2]" 1
839 1 71 ALA H 1 72 GLU H 3.610 . 5.610 2.795 2.665 3.033 . 0 0 "[ . 1 . 2]" 1
840 1 71 ALA H 1 72 GLU QG 4.740 . 6.740 5.272 3.892 6.517 . 0 0 "[ . 1 . 2]" 1
841 1 71 ALA H 1 74 GLN HE21 4.860 . 6.860 5.038 3.630 6.716 . 0 0 "[ . 1 . 2]" 1
842 1 71 ALA HA 1 72 GLU QG 5.500 . 7.500 5.798 4.975 6.643 . 0 0 "[ . 1 . 2]" 1
843 1 71 ALA HA 1 74 GLN QB 5.500 . 6.630 2.401 1.998 3.754 . 0 0 "[ . 1 . 2]" 1
844 1 71 ALA HA 1 74 GLN HE21 4.990 . 6.990 3.977 1.941 5.609 . 0 0 "[ . 1 . 2]" 1
845 1 71 ALA HA 1 74 GLN QG 5.030 . 7.030 4.031 2.401 5.633 . 0 0 "[ . 1 . 2]" 1
846 1 71 ALA HA 1 75 MET H 4.540 . 6.540 3.985 3.028 5.382 . 0 0 "[ . 1 . 2]" 1
847 1 71 ALA HA 1 75 MET QB 4.510 . 6.510 4.994 3.518 6.886 0.376 2 0 "[ . 1 . 2]" 1
848 1 71 ALA MB 1 72 GLU H 3.410 . 5.410 2.937 2.277 3.220 . 0 0 "[ . 1 . 2]" 1
849 1 71 ALA MB 1 72 GLU QG 4.880 . 6.880 4.401 3.029 5.684 . 0 0 "[ . 1 . 2]" 1
850 1 71 ALA MB 1 74 GLN HE21 5.420 . 7.420 5.005 3.518 6.332 . 0 0 "[ . 1 . 2]" 1
851 1 71 ALA MB 1 75 MET QB 5.500 . 7.120 4.635 3.562 5.997 . 0 0 "[ . 1 . 2]" 1
852 1 71 ALA MB 1 75 MET QG 5.160 . 7.160 5.264 2.994 7.181 0.021 14 0 "[ . 1 . 2]" 1
853 1 72 GLU H 1 72 GLU QB 3.630 . 5.630 2.340 2.162 2.585 . 0 0 "[ . 1 . 2]" 1
854 1 72 GLU H 1 72 GLU QG 3.520 . 5.520 3.130 2.033 4.133 . 0 0 "[ . 1 . 2]" 1
855 1 72 GLU H 1 73 GLU H 3.460 . 5.460 2.798 2.472 3.140 . 0 0 "[ . 1 . 2]" 1
856 1 72 GLU H 1 74 GLN HE21 5.500 . 7.500 6.216 4.777 7.375 . 0 0 "[ . 1 . 2]" 1
857 1 72 GLU QB 1 73 GLU H 4.800 . 6.800 2.304 2.039 3.420 . 0 0 "[ . 1 . 2]" 1
858 1 72 GLU QB 1 73 GLU HA 4.870 . 6.870 4.070 3.833 4.443 . 0 0 "[ . 1 . 2]" 1
859 1 72 GLU QG 1 73 GLU H 5.230 . 7.230 3.760 1.930 4.424 . 0 0 "[ . 1 . 2]" 1
860 1 73 GLU H 1 73 GLU QG 4.760 . 6.760 2.999 2.329 4.118 . 0 0 "[ . 1 . 2]" 1
861 1 73 GLU H 1 74 GLN H 4.070 . 6.070 2.382 2.248 2.762 . 0 0 "[ . 1 . 2]" 1
862 1 73 GLU H 1 74 GLN HA 5.500 . 7.500 4.973 4.806 5.357 . 0 0 "[ . 1 . 2]" 1
863 1 73 GLU H 1 74 GLN HE21 5.500 . 7.500 6.344 4.635 7.340 . 0 0 "[ . 1 . 2]" 1
864 1 73 GLU H 1 74 GLN QG 4.830 . 6.830 5.896 3.792 6.530 . 0 0 "[ . 1 . 2]" 1
865 1 73 GLU H 1 75 MET H 4.880 . 6.880 4.337 4.085 4.438 . 0 0 "[ . 1 . 2]" 1
866 1 73 GLU H 1 76 LYS H 5.500 . 7.500 5.347 5.000 5.620 . 0 0 "[ . 1 . 2]" 1
867 1 73 GLU HA 1 76 LYS QB 4.570 . 6.570 3.154 2.628 3.831 . 0 0 "[ . 1 . 2]" 1
868 1 73 GLU HA 1 77 MET H 5.000 . 7.000 4.620 3.781 5.483 . 0 0 "[ . 1 . 2]" 1
869 1 73 GLU QG 1 74 GLN H 5.150 . 7.150 4.317 3.716 4.828 . 0 0 "[ . 1 . 2]" 1
870 1 74 GLN H 1 74 GLN QB 3.650 . 5.650 2.265 2.199 2.471 . 0 0 "[ . 1 . 2]" 1
871 1 74 GLN H 1 74 GLN HE21 4.570 . 6.570 4.605 3.567 5.497 . 0 0 "[ . 1 . 2]" 1
872 1 74 GLN H 1 74 GLN QG 3.950 . 5.920 3.884 2.082 4.137 . 0 0 "[ . 1 . 2]" 1
873 1 74 GLN H 1 75 MET H 3.810 . 5.810 2.673 2.598 2.739 . 0 0 "[ . 1 . 2]" 1
874 1 74 GLN H 1 77 MET QB 5.500 . 7.500 4.948 4.475 5.537 . 0 0 "[ . 1 . 2]" 1
875 1 74 GLN HA 1 74 GLN HE21 5.500 . 7.500 4.232 2.573 5.122 . 0 0 "[ . 1 . 2]" 1
876 1 74 GLN HA 1 76 LYS H 5.440 . 7.440 4.431 4.115 4.750 . 0 0 "[ . 1 . 2]" 1
877 1 74 GLN HA 1 77 MET H 4.510 . 6.510 3.321 3.090 3.584 . 0 0 "[ . 1 . 2]" 1
878 1 74 GLN HA 1 77 MET HA 5.500 . 7.500 5.250 4.931 5.537 . 0 0 "[ . 1 . 2]" 1
879 1 74 GLN HA 1 77 MET QB 5.290 . 7.030 2.634 2.318 3.023 . 0 0 "[ . 1 . 2]" 1
880 1 74 GLN HA 1 78 ALA H 4.710 . 6.710 4.084 3.721 4.761 . 0 0 "[ . 1 . 2]" 1
881 1 74 GLN HA 1 78 ALA MB 4.930 . 6.930 4.953 4.524 5.677 . 0 0 "[ . 1 . 2]" 1
882 1 74 GLN QG 1 75 MET H 5.500 . 7.500 3.944 3.754 4.545 . 0 0 "[ . 1 . 2]" 1
883 1 75 MET H 1 75 MET QB 3.130 . 5.130 2.323 2.220 2.752 . 0 0 "[ . 1 . 2]" 1
884 1 75 MET H 1 75 MET QG 4.510 . 6.510 3.371 1.827 4.140 . 0 0 "[ . 1 . 2]" 1
885 1 75 MET H 1 77 MET QB 5.500 . 7.500 4.888 4.654 5.163 . 0 0 "[ . 1 . 2]" 1
886 1 75 MET HA 1 78 ALA H 5.500 . 7.500 3.787 3.424 4.012 . 0 0 "[ . 1 . 2]" 1
887 1 75 MET HA 1 78 ALA MB 4.150 . 6.150 3.037 2.775 3.291 . 0 0 "[ . 1 . 2]" 1
888 1 75 MET QB 1 78 ALA MB 5.500 . 7.500 4.674 4.260 4.979 . 0 0 "[ . 1 . 2]" 1
889 1 75 MET QG 1 76 LYS QD 5.500 . 7.500 6.220 4.746 7.791 0.291 7 0 "[ . 1 . 2]" 1
890 1 75 MET QG 1 76 LYS QE 5.380 . 7.380 7.055 6.040 7.654 0.274 1 0 "[ . 1 . 2]" 1
891 1 76 LYS H 1 76 LYS QG 4.850 . 6.850 3.543 1.997 4.127 . 0 0 "[ . 1 . 2]" 1
892 1 76 LYS H 1 77 MET H 3.740 . 5.740 2.704 2.518 2.820 . 0 0 "[ . 1 . 2]" 1
893 1 76 LYS H 1 77 MET HA 5.500 . 7.500 5.323 5.168 5.426 . 0 0 "[ . 1 . 2]" 1
894 1 76 LYS H 1 77 MET QB 4.900 . 6.900 4.514 4.331 4.888 . 0 0 "[ . 1 . 2]" 1
895 1 76 LYS H 1 79 HIS QB 5.340 . 7.340 4.736 4.405 5.026 . 0 0 "[ . 1 . 2]" 1
896 1 76 LYS HA 1 79 HIS H 4.180 . 6.180 3.747 3.557 3.874 . 0 0 "[ . 1 . 2]" 1
897 1 76 LYS HA 1 79 HIS QB 4.520 . 6.520 2.650 2.385 2.902 . 0 0 "[ . 1 . 2]" 1
898 1 76 LYS QB 1 77 MET H 4.910 . 6.910 2.588 2.467 2.792 . 0 0 "[ . 1 . 2]" 1
899 1 76 LYS QG 1 77 MET H 4.310 . 6.310 3.919 3.713 4.187 . 0 0 "[ . 1 . 2]" 1
900 1 77 MET H 1 77 MET QB 3.550 . 5.550 2.298 2.227 2.580 . 0 0 "[ . 1 . 2]" 1
901 1 77 MET H 1 78 ALA H 3.820 . 5.820 2.882 2.711 3.056 . 0 0 "[ . 1 . 2]" 1
902 1 77 MET H 1 79 HIS H 4.590 . 6.590 4.085 3.860 4.448 . 0 0 "[ . 1 . 2]" 1
903 1 77 MET H 1 79 HIS QB 5.500 . 7.500 4.759 4.559 5.145 . 0 0 "[ . 1 . 2]" 1
904 1 77 MET H 1 80 ASP H 5.430 . 7.430 4.726 4.496 4.939 . 0 0 "[ . 1 . 2]" 1
905 1 77 MET H 1 80 ASP QB 5.500 . 7.500 4.985 4.295 5.527 . 0 0 "[ . 1 . 2]" 1
906 1 77 MET HA 1 79 HIS H 4.890 . 6.890 4.477 4.155 4.832 . 0 0 "[ . 1 . 2]" 1
907 1 77 MET HA 1 80 ASP H 5.360 . 7.360 3.580 3.204 3.865 . 0 0 "[ . 1 . 2]" 1
908 1 77 MET HA 1 80 ASP QB 4.380 . 6.380 2.919 2.423 3.255 . 0 0 "[ . 1 . 2]" 1
909 1 77 MET HA 1 81 LEU H 5.170 . 7.170 4.224 3.867 4.875 . 0 0 "[ . 1 . 2]" 1
910 1 77 MET HA 1 81 LEU QD 4.940 . 6.940 3.737 2.911 4.975 . 0 0 "[ . 1 . 2]" 1
911 1 77 MET QB 1 78 ALA H 4.030 . 6.030 2.183 2.083 2.292 . 0 0 "[ . 1 . 2]" 1
912 1 77 MET QB 1 81 LEU QD 4.990 . 6.990 3.753 2.423 4.762 . 0 0 "[ . 1 . 2]" 1
913 1 77 MET QG 1 78 ALA HA 5.060 . 7.060 4.025 3.374 5.803 . 0 0 "[ . 1 . 2]" 1
914 1 77 MET QG 1 80 ASP H 5.500 . 6.980 4.948 4.434 5.608 . 0 0 "[ . 1 . 2]" 1
915 1 77 MET QG 1 80 ASP QB 5.500 . 7.500 4.017 3.296 4.876 . 0 0 "[ . 1 . 2]" 1
916 1 77 MET QG 1 81 LEU H 5.120 . 7.060 4.544 3.767 5.920 . 0 0 "[ . 1 . 2]" 1
917 1 77 MET QG 1 81 LEU QB 5.500 . 7.500 4.419 2.825 6.966 . 0 0 "[ . 1 . 2]" 1
918 1 77 MET QG 1 81 LEU QD 4.130 . 6.130 2.747 2.105 4.623 . 0 0 "[ . 1 . 2]" 1
919 1 78 ALA H 1 78 ALA MB 3.100 . 5.100 2.234 2.205 2.260 . 0 0 "[ . 1 . 2]" 1
920 1 78 ALA H 1 79 HIS H 3.670 . 5.670 2.839 2.702 3.006 . 0 0 "[ . 1 . 2]" 1
921 1 78 ALA H 1 79 HIS HA 5.500 . 7.500 5.439 5.313 5.574 . 0 0 "[ . 1 . 2]" 1
922 1 78 ALA H 1 79 HIS QB 5.230 . 7.230 4.644 4.472 4.971 . 0 0 "[ . 1 . 2]" 1
923 1 78 ALA HA 1 80 ASP H 5.280 . 7.280 4.476 4.026 4.718 . 0 0 "[ . 1 . 2]" 1
924 1 78 ALA HA 1 81 LEU H 4.610 . 6.610 3.589 3.396 3.897 . 0 0 "[ . 1 . 2]" 1
925 1 78 ALA HA 1 81 LEU QB 5.500 . 7.500 2.755 2.390 3.516 . 0 0 "[ . 1 . 2]" 1
926 1 78 ALA HA 1 81 LEU QD 4.310 . 6.310 2.968 2.331 3.809 . 0 0 "[ . 1 . 2]" 1
927 1 78 ALA HA 1 81 LEU HG 4.470 . 6.470 4.340 2.490 5.618 . 0 0 "[ . 1 . 2]" 1
928 1 78 ALA HA 1 82 GLU H 5.490 . 7.490 4.252 3.662 5.175 . 0 0 "[ . 1 . 2]" 1
929 1 78 ALA MB 1 79 HIS H 3.390 . 5.390 2.516 2.230 2.705 . 0 0 "[ . 1 . 2]" 1
930 1 78 ALA MB 1 79 HIS QB 5.140 . 7.140 3.980 3.749 4.292 . 0 0 "[ . 1 . 2]" 1
931 1 78 ALA MB 1 80 ASP H 4.480 . 6.480 4.575 4.305 4.848 . 0 0 "[ . 1 . 2]" 1
932 1 79 HIS H 1 79 HIS QB 3.050 . 5.050 2.302 2.205 2.466 . 0 0 "[ . 1 . 2]" 1
933 1 79 HIS H 1 79 HIS HD2 4.610 . 6.610 4.763 2.325 5.282 . 0 0 "[ . 1 . 2]" 1
934 1 79 HIS H 1 80 ASP H 3.570 . 5.570 2.715 2.449 2.888 . 0 0 "[ . 1 . 2]" 1
935 1 79 HIS H 1 80 ASP QB 5.290 . 7.290 4.572 4.266 4.862 . 0 0 "[ . 1 . 2]" 1
936 1 79 HIS HA 1 82 GLU H 4.460 . 6.460 3.680 3.287 4.170 . 0 0 "[ . 1 . 2]" 1
937 1 79 HIS QB 1 80 ASP H 3.510 . 5.510 2.561 2.385 2.841 . 0 0 "[ . 1 . 2]" 1
938 1 79 HIS QB 1 80 ASP QB 5.500 . 7.500 4.063 3.750 4.668 . 0 0 "[ . 1 . 2]" 1
939 1 80 ASP H 1 80 ASP QB 3.470 . 5.470 2.336 2.231 2.566 . 0 0 "[ . 1 . 2]" 1
940 1 80 ASP H 1 81 LEU H 3.980 . 5.980 2.624 2.283 2.774 . 0 0 "[ . 1 . 2]" 1
941 1 80 ASP H 1 81 LEU HG 4.290 . 6.290 5.592 3.907 6.909 0.619 8 1 "[ . + 1 . 2]" 1
942 1 80 ASP H 1 82 GLU H 4.560 . 6.560 4.172 3.860 4.646 . 0 0 "[ . 1 . 2]" 1
943 1 80 ASP QB 1 81 LEU H 4.300 . 6.300 2.589 2.400 2.813 . 0 0 "[ . 1 . 2]" 1
944 1 80 ASP QB 1 81 LEU QD 5.120 . 7.120 3.134 2.318 4.607 . 0 0 "[ . 1 . 2]" 1
945 1 80 ASP QB 1 81 LEU HG 5.500 . 7.500 4.454 3.085 6.192 . 0 0 "[ . 1 . 2]" 1
946 1 80 ASP QB 1 82 GLU H 5.500 . 7.500 4.773 4.501 5.111 . 0 0 "[ . 1 . 2]" 1
947 1 80 ASP QB 1 83 GLY H 5.500 . 7.500 5.078 4.804 5.219 . 0 0 "[ . 1 . 2]" 1
948 1 81 LEU H 1 81 LEU QD 4.460 . 6.140 2.692 2.009 3.757 . 0 0 "[ . 1 . 2]" 1
949 1 81 LEU H 1 81 LEU HG 3.420 . 5.420 3.318 1.951 4.480 . 0 0 "[ . 1 . 2]" 1
950 1 81 LEU H 1 82 GLU H 3.840 . 5.840 2.671 2.505 3.017 . 0 0 "[ . 1 . 2]" 1
951 1 81 LEU H 1 83 GLY H 5.280 . 7.280 4.192 4.034 4.348 . 0 0 "[ . 1 . 2]" 1
952 1 81 LEU H 1 84 GLN HE22 5.500 . 7.500 6.590 4.660 7.619 0.119 6 0 "[ . 1 . 2]" 1
953 1 81 LEU H 1 84 GLN QG 5.500 . 7.500 5.960 4.675 7.078 . 0 0 "[ . 1 . 2]" 1
954 1 81 LEU HA 1 81 LEU HG 3.920 . 5.920 2.998 2.295 3.687 . 0 0 "[ . 1 . 2]" 1
955 1 81 LEU HA 1 84 GLN QB 4.710 . 6.710 2.753 2.315 3.571 . 0 0 "[ . 1 . 2]" 1
956 1 81 LEU HA 1 84 GLN QG 5.500 . 7.500 4.096 2.277 5.293 . 0 0 "[ . 1 . 2]" 1
957 1 81 LEU QB 1 82 GLU H 4.210 . 6.210 2.662 2.209 2.994 . 0 0 "[ . 1 . 2]" 1
958 1 81 LEU QB 1 82 GLU QB 5.500 . 7.500 4.154 3.651 4.561 . 0 0 "[ . 1 . 2]" 1
959 1 81 LEU QB 1 83 GLY H 5.500 . 7.500 4.769 4.498 5.051 . 0 0 "[ . 1 . 2]" 1
960 1 81 LEU QB 1 84 GLN QG 5.500 . 7.500 5.647 3.841 6.579 . 0 0 "[ . 1 . 2]" 1
961 1 81 LEU QD 1 82 GLU H 5.500 . 7.160 4.010 3.776 4.307 . 0 0 "[ . 1 . 2]" 1
962 1 81 LEU QD 1 84 GLN HE21 5.500 . 7.500 4.262 2.433 6.057 . 0 0 "[ . 1 . 2]" 1
963 1 81 LEU QD 1 84 GLN HE22 5.500 . 7.500 4.335 2.334 5.713 . 0 0 "[ . 1 . 2]" 1
964 1 81 LEU QD 1 84 GLN QG 5.500 . 7.500 4.273 2.320 5.616 . 0 0 "[ . 1 . 2]" 1
965 1 81 LEU HG 1 82 GLU H 3.750 . 5.750 4.706 3.882 5.315 . 0 0 "[ . 1 . 2]" 1
966 1 82 GLU H 1 82 GLU QB 3.300 . 5.300 2.302 2.194 2.621 . 0 0 "[ . 1 . 2]" 1
967 1 82 GLU HA 1 84 GLN QG 5.500 . 7.500 6.565 5.181 7.117 . 0 0 "[ . 1 . 2]" 1
968 1 83 GLY H 1 84 GLN H 3.560 . 5.560 2.623 2.387 2.942 . 0 0 "[ . 1 . 2]" 1
969 1 83 GLY H 1 84 GLN HE21 5.500 . 7.500 6.578 4.931 7.557 0.057 8 0 "[ . 1 . 2]" 1
970 1 83 GLY H 1 84 GLN QG 5.350 . 7.350 5.518 3.872 6.433 . 0 0 "[ . 1 . 2]" 1
971 1 83 GLY H 1 85 LYS H 4.670 . 6.670 4.200 3.972 4.583 . 0 0 "[ . 1 . 2]" 1
972 1 84 GLN H 1 84 GLN QB 3.230 . 5.230 2.308 2.178 2.546 . 0 0 "[ . 1 . 2]" 1
973 1 84 GLN H 1 84 GLN HE21 5.370 . 7.370 4.638 3.540 5.512 . 0 0 "[ . 1 . 2]" 1
974 1 84 GLN H 1 84 GLN HE22 5.500 . 7.500 5.547 4.303 6.379 . 0 0 "[ . 1 . 2]" 1
975 1 84 GLN H 1 84 GLN QG 3.700 . 5.700 3.347 2.025 4.161 . 0 0 "[ . 1 . 2]" 1
976 1 84 GLN H 1 85 LYS H 3.690 . 5.690 2.667 2.357 2.869 . 0 0 "[ . 1 . 2]" 1
977 1 84 GLN QG 1 85 LYS H 4.860 . 6.860 4.072 3.795 4.591 . 0 0 "[ . 1 . 2]" 1
978 1 84 GLN QG 1 88 LEU QD 4.290 . 6.290 3.617 2.129 5.098 . 0 0 "[ . 1 . 2]" 1
979 1 84 GLN QG 1 88 LEU HG 5.440 . 7.440 5.253 2.715 7.826 0.386 10 0 "[ . 1 . 2]" 1
980 1 85 LYS H 1 85 LYS QB 3.530 . 5.530 2.273 2.205 2.476 . 0 0 "[ . 1 . 2]" 1
981 1 85 LYS H 1 85 LYS QE 5.380 . 7.380 5.400 4.210 6.180 . 0 0 "[ . 1 . 2]" 1
982 1 85 LYS H 1 89 ASN HD21 5.500 . 7.500 7.225 6.356 7.850 0.350 19 0 "[ . 1 . 2]" 1
983 1 85 LYS HA 1 85 LYS QE 5.340 . 7.310 4.591 3.830 4.999 . 0 0 "[ . 1 . 2]" 1
984 1 85 LYS HA 1 88 LEU H 3.750 . 5.750 3.537 3.285 3.754 . 0 0 "[ . 1 . 2]" 1
985 1 85 LYS HA 1 88 LEU QB 5.010 . 7.010 2.805 2.418 3.941 . 0 0 "[ . 1 . 2]" 1
986 1 85 LYS HA 1 89 ASN HD21 4.710 . 6.710 5.670 4.871 6.737 0.027 5 0 "[ . 1 . 2]" 1
987 1 85 LYS QB 1 85 LYS QE 4.110 . 6.040 3.167 2.176 3.723 . 0 0 "[ . 1 . 2]" 1
988 1 85 LYS QE 1 89 ASN HD21 5.500 . 7.500 5.752 3.968 7.591 0.091 16 0 "[ . 1 . 2]" 1
989 1 85 LYS QE 1 89 ASN HD22 5.500 . 7.500 5.190 2.815 7.405 . 0 0 "[ . 1 . 2]" 1
990 1 86 SER HA 1 89 ASN H 4.400 . 6.400 3.554 3.321 3.743 . 0 0 "[ . 1 . 2]" 1
991 1 86 SER HA 1 89 ASN QB 5.500 . 7.500 2.942 2.358 4.193 . 0 0 "[ . 1 . 2]" 1
992 1 86 SER QB 1 87 ASP H 3.880 . 5.880 2.734 2.447 3.375 . 0 0 "[ . 1 . 2]" 1
993 1 87 ASP H 1 87 ASP QB 3.250 . 5.250 2.393 2.252 2.517 . 0 0 "[ . 1 . 2]" 1
994 1 87 ASP QB 1 88 LEU H 3.480 . 5.480 2.616 2.395 3.034 . 0 0 "[ . 1 . 2]" 1
995 1 87 ASP QB 1 88 LEU QD 5.500 . 7.500 3.602 2.286 5.125 . 0 0 "[ . 1 . 2]" 1
996 1 87 ASP QB 1 88 LEU HG 4.740 . 6.740 4.540 2.992 6.441 . 0 0 "[ . 1 . 2]" 1
997 1 88 LEU H 1 88 LEU QB 3.570 . 5.570 2.290 2.118 2.532 . 0 0 "[ . 1 . 2]" 1
998 1 88 LEU H 1 88 LEU QD 3.530 . 5.530 3.035 2.017 3.812 . 0 0 "[ . 1 . 2]" 1
999 1 88 LEU H 1 88 LEU HG 3.010 . 5.010 3.411 1.971 4.540 . 0 0 "[ . 1 . 2]" 1
1000 1 88 LEU H 1 89 ASN H 3.610 . 5.610 2.610 2.437 2.833 . 0 0 "[ . 1 . 2]" 1
1001 1 88 LEU H 1 90 ASN H 4.330 . 6.330 4.229 3.825 4.499 . 0 0 "[ . 1 . 2]" 1
1002 1 88 LEU HA 1 88 LEU QD 3.910 . 5.910 2.233 1.972 3.037 . 0 0 "[ . 1 . 2]" 1
1003 1 88 LEU QB 1 89 ASN H 5.280 . 7.280 2.583 2.330 2.898 . 0 0 "[ . 1 . 2]" 1
1004 1 88 LEU QB 1 90 ASN H 5.500 . 7.500 4.739 4.418 5.011 . 0 0 "[ . 1 . 2]" 1
1005 1 89 ASN H 1 89 ASN HD21 4.810 . 6.810 3.469 2.033 4.678 . 0 0 "[ . 1 . 2]" 1
1006 1 89 ASN H 1 89 ASN HD22 5.060 . 7.060 4.167 3.190 5.768 . 0 0 "[ . 1 . 2]" 1
1007 1 89 ASN H 1 90 ASN H 3.670 . 5.670 2.809 2.648 2.900 . 0 0 "[ . 1 . 2]" 1
1008 1 90 ASN H 1 90 ASN QB 2.960 . 4.960 2.410 2.254 2.496 . 0 0 "[ . 1 . 2]" 1
1009 1 90 ASN H 1 91 GLN QG 5.350 . 7.240 5.255 4.035 6.344 . 0 0 "[ . 1 . 2]" 1
1010 1 90 ASN QB 1 91 GLN H 3.510 . 5.510 2.368 2.064 2.716 . 0 0 "[ . 1 . 2]" 1
1011 1 90 ASN QB 1 91 GLN QG 5.500 . 7.500 4.214 2.619 5.783 . 0 0 "[ . 1 . 2]" 1
1012 1 91 GLN H 1 91 GLN QB 3.180 . 5.180 2.363 2.217 2.554 . 0 0 "[ . 1 . 2]" 1
1013 1 91 GLN H 1 91 GLN QG 3.500 . 5.500 3.047 2.040 4.158 . 0 0 "[ . 1 . 2]" 1
1014 1 91 GLN H 1 92 LEU QD 4.400 . 6.400 5.002 3.676 6.047 . 0 0 "[ . 1 . 2]" 1
1015 1 91 GLN HA 1 93 ALA H 5.500 . 7.500 4.479 3.219 6.757 . 0 0 "[ . 1 . 2]" 1
1016 1 91 GLN QB 1 92 LEU H 3.620 . 5.620 2.485 2.284 2.712 . 0 0 "[ . 1 . 2]" 1
1017 1 91 GLN QB 1 92 LEU HA 5.500 . 7.500 4.149 3.799 4.545 . 0 0 "[ . 1 . 2]" 1
1018 1 91 GLN QB 1 92 LEU QB 5.500 . 7.500 3.887 3.231 4.298 . 0 0 "[ . 1 . 2]" 1
1019 1 91 GLN QB 1 92 LEU QD 4.030 . 6.030 3.513 2.168 4.908 . 0 0 "[ . 1 . 2]" 1
1020 1 91 GLN QG 1 92 LEU H 4.910 . 6.610 3.977 3.639 4.357 . 0 0 "[ . 1 . 2]" 1
1021 1 92 LEU H 1 92 LEU QD 3.610 . 5.610 3.228 1.947 4.202 . 0 0 "[ . 1 . 2]" 1
1022 1 92 LEU H 1 92 LEU HG 4.330 . 6.330 3.396 1.858 4.712 . 0 0 "[ . 1 . 2]" 1
1023 1 92 LEU H 1 93 ALA H 3.490 . 5.490 2.751 2.094 4.339 . 0 0 "[ . 1 . 2]" 1
1024 1 92 LEU QD 1 93 ALA H 4.150 . 6.150 3.891 1.951 4.549 . 0 0 "[ . 1 . 2]" 1
1025 1 93 ALA H 1 93 ALA MB 2.990 . 4.990 2.665 2.217 3.122 . 0 0 "[ . 1 . 2]" 1
1026 1 93 ALA HA 1 94 GLU H 3.170 . 5.170 2.962 2.198 3.591 . 0 0 "[ . 1 . 2]" 1
1027 1 93 ALA HA 1 94 GLU QG 5.500 . 7.500 4.974 3.402 6.758 . 0 0 "[ . 1 . 2]" 1
1028 1 93 ALA MB 1 94 GLU H 3.710 . 5.710 2.242 1.761 3.699 0.039 16 0 "[ . 1 . 2]" 1
1029 1 94 GLU H 1 94 GLU QG 4.680 . 6.640 3.207 1.931 4.425 . 0 0 "[ . 1 . 2]" 1
1030 1 94 GLU H 1 95 LEU QD 5.320 . 7.320 4.684 2.177 6.050 . 0 0 "[ . 1 . 2]" 1
1031 1 94 GLU HA 1 95 LEU H 3.190 . 5.190 2.927 2.162 3.581 . 0 0 "[ . 1 . 2]" 1
1032 1 94 GLU QB 1 95 LEU QD 4.170 . 6.170 4.349 3.182 5.305 . 0 0 "[ . 1 . 2]" 1
1033 1 94 GLU QG 1 95 LEU H 4.830 . 6.830 3.926 2.710 4.961 . 0 0 "[ . 1 . 2]" 1
1034 1 94 GLU QG 1 95 LEU QD 5.500 . 7.500 4.963 2.276 6.347 . 0 0 "[ . 1 . 2]" 1
1035 1 95 LEU H 1 95 LEU QD 3.960 . 5.960 3.269 1.854 4.109 . 0 0 "[ . 1 . 2]" 1
1036 1 96 GLU H 1 96 GLU QG 3.910 . 5.910 2.888 1.813 4.473 . 0 0 "[ . 1 . 2]" 1
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