NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426645 |
2hdm   |
15110 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hdm
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 1123
_Distance_constraint_stats_list.Viol_count 1630
_Distance_constraint_stats_list.Viol_total 1946.841
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0204
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0597
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 0.059 0.024 1 0 "[ . 1 . 2]"
1 4 VAL 0.079 0.024 1 0 "[ . 1 . 2]"
1 5 SER 0.119 0.054 1 0 "[ . 1 . 2]"
1 6 ASP 0.099 0.054 1 0 "[ . 1 . 2]"
1 7 LYS 3.197 0.269 11 0 "[ . 1 . 2]"
1 8 ARG 1.354 0.254 17 0 "[ . 1 . 2]"
1 9 THR 0.600 0.138 8 0 "[ . 1 . 2]"
1 10 CYS 2.683 0.138 8 0 "[ . 1 . 2]"
1 11 VAL 0.697 0.159 6 0 "[ . 1 . 2]"
1 12 SER 2.170 0.159 6 0 "[ . 1 . 2]"
1 13 LEU 2.330 0.246 18 0 "[ . 1 . 2]"
1 14 THR 3.159 0.164 11 0 "[ . 1 . 2]"
1 15 THR 0.325 0.072 14 0 "[ . 1 . 2]"
1 16 GLN 1.178 0.116 9 0 "[ . 1 . 2]"
1 17 ARG 6.258 0.193 18 0 "[ . 1 . 2]"
1 18 LEU 2.101 0.250 18 0 "[ . 1 . 2]"
1 19 PRO 1.380 0.115 12 0 "[ . 1 . 2]"
1 20 CYS 3.230 0.120 8 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.986 0.094 16 0 "[ . 1 . 2]"
1 23 ILE 10.183 0.338 14 0 "[ . 1 . 2]"
1 24 LYS 3.981 0.338 14 0 "[ . 1 . 2]"
1 25 THR 2.065 0.105 4 0 "[ . 1 . 2]"
1 26 TYR 11.978 0.250 15 0 "[ . 1 . 2]"
1 27 THR 4.535 0.218 14 0 "[ . 1 . 2]"
1 28 ILE 4.074 0.158 3 0 "[ . 1 . 2]"
1 29 THR 2.313 0.159 6 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 1.047 0.116 1 0 "[ . 1 . 2]"
1 32 SER 0.369 0.116 1 0 "[ . 1 . 2]"
1 33 LEU 2.705 0.180 12 0 "[ . 1 . 2]"
1 34 ARG 1.168 0.159 6 0 "[ . 1 . 2]"
1 35 ALA 0.632 0.096 10 0 "[ . 1 . 2]"
1 36 VAL 4.522 0.131 13 0 "[ . 1 . 2]"
1 37 ILE 2.961 0.132 17 0 "[ . 1 . 2]"
1 38 PHE 3.894 0.223 15 0 "[ . 1 . 2]"
1 39 ILE 5.954 0.146 13 0 "[ . 1 . 2]"
1 40 THR 0.566 0.062 13 0 "[ . 1 . 2]"
1 41 LYS 0.685 0.174 4 0 "[ . 1 . 2]"
1 42 ARG 0.036 0.036 16 0 "[ . 1 . 2]"
1 43 GLY 0.185 0.051 5 0 "[ . 1 . 2]"
1 44 LEU 5.475 0.340 5 0 "[ . 1 . 2]"
1 45 LYS 6.373 0.340 5 0 "[ . 1 . 2]"
1 46 VAL 4.500 0.146 13 0 "[ . 1 . 2]"
1 47 CYS 2.153 0.107 12 0 "[ . 1 . 2]"
1 48 ALA 1.397 0.096 13 0 "[ . 1 . 2]"
1 49 ASP 0.867 0.096 13 0 "[ . 1 . 2]"
1 50 PRO 1.469 0.133 11 0 "[ . 1 . 2]"
1 51 GLN 0.578 0.090 8 0 "[ . 1 . 2]"
1 52 ALA 2.997 0.146 17 0 "[ . 1 . 2]"
1 53 THR 0.504 0.061 1 0 "[ . 1 . 2]"
1 54 TRP 12.408 0.250 18 0 "[ . 1 . 2]"
1 55 VAL 3.538 0.131 13 0 "[ . 1 . 2]"
1 56 ARG 1.755 0.099 8 0 "[ . 1 . 2]"
1 57 ASP 1.617 0.129 1 0 "[ . 1 . 2]"
1 58 CYS 8.923 0.230 20 0 "[ . 1 . 2]"
1 59 VAL 11.619 0.250 15 0 "[ . 1 . 2]"
1 60 ARG 5.487 0.230 20 0 "[ . 1 . 2]"
1 61 SER 1.492 0.120 8 0 "[ . 1 . 2]"
1 62 MET 0.685 0.130 11 0 "[ . 1 . 2]"
1 63 ASP 0.327 0.076 17 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.860 0.130 11 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.058 0.040 14 0 "[ . 1 . 2]"
1 68 THR 4.743 0.245 19 0 "[ . 1 . 2]"
1 69 ARG 0.773 0.245 19 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ILE 0.507 0.111 13 0 "[ . 1 . 2]"
1 74 GLN 0.261 0.096 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU H 1 4 VAL H . . 5.160 3.422 1.806 4.531 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU HA 1 4 VAL H . . 3.510 2.688 1.946 3.534 0.024 1 0 "[ . 1 . 2]" 1
3 1 3 GLU QG 1 4 VAL H . . 5.500 3.966 2.907 4.816 . 0 0 "[ . 1 . 2]" 1
4 1 4 VAL H 1 4 VAL HB . . 4.000 3.408 2.523 3.958 . 0 0 "[ . 1 . 2]" 1
5 1 4 VAL H 1 4 VAL QG . . 3.970 2.308 1.936 2.718 . 0 0 "[ . 1 . 2]" 1
6 1 4 VAL HA 1 5 SER H . . 3.520 2.423 2.061 3.540 0.020 18 0 "[ . 1 . 2]" 1
7 1 4 VAL HB 1 5 SER H . . 4.750 3.638 2.048 4.497 . 0 0 "[ . 1 . 2]" 1
8 1 4 VAL QG 1 5 SER H . . 4.600 3.307 2.602 3.778 . 0 0 "[ . 1 . 2]" 1
9 1 5 SER HA 1 6 ASP H . . 3.450 2.519 2.071 3.504 0.054 1 0 "[ . 1 . 2]" 1
10 1 5 SER QB 1 6 ASP H . . 4.740 3.323 1.921 4.064 . 0 0 "[ . 1 . 2]" 1
11 1 6 ASP H 1 6 ASP QB . . 3.830 2.729 2.266 3.394 . 0 0 "[ . 1 . 2]" 1
12 1 6 ASP QB 1 7 LYS H . . 4.380 3.162 1.950 3.879 . 0 0 "[ . 1 . 2]" 1
13 1 7 LYS H 1 7 LYS HB2 . . 4.080 3.074 2.364 4.041 . 0 0 "[ . 1 . 2]" 1
14 1 7 LYS H 1 7 LYS QB . . 3.480 2.684 2.209 3.423 . 0 0 "[ . 1 . 2]" 1
15 1 7 LYS H 1 7 LYS HB3 . . 4.080 3.370 2.449 4.119 0.039 2 0 "[ . 1 . 2]" 1
16 1 7 LYS H 1 7 LYS QD . . 4.980 4.130 2.705 5.009 0.029 2 0 "[ . 1 . 2]" 1
17 1 7 LYS H 1 7 LYS QE . . 5.500 4.245 1.673 5.611 0.111 6 0 "[ . 1 . 2]" 1
18 1 7 LYS H 1 7 LYS QG . . 4.340 2.667 1.966 4.406 0.066 1 0 "[ . 1 . 2]" 1
19 1 7 LYS HA 1 7 LYS QD . . 4.300 3.939 2.123 4.406 0.106 5 0 "[ . 1 . 2]" 1
20 1 7 LYS HA 1 7 LYS QE . . 5.500 4.383 2.978 5.380 . 0 0 "[ . 1 . 2]" 1
21 1 7 LYS QB 1 7 LYS QD . . 2.340 2.171 1.998 2.319 . 0 0 "[ . 1 . 2]" 1
22 1 7 LYS QB 1 7 LYS QE . . 3.120 2.374 1.876 3.389 0.269 11 0 "[ . 1 . 2]" 1
23 1 7 LYS HB2 1 7 LYS QD . . 3.210 2.498 2.095 3.250 0.040 6 0 "[ . 1 . 2]" 1
24 1 7 LYS HB2 1 8 ARG H . . 3.920 2.787 1.853 3.701 . 0 0 "[ . 1 . 2]" 1
25 1 7 LYS HB3 1 7 LYS QD . . 3.210 2.638 2.180 3.313 0.103 7 0 "[ . 1 . 2]" 1
26 1 7 LYS HB3 1 8 ARG H . . 3.920 2.926 1.712 3.952 0.032 13 0 "[ . 1 . 2]" 1
27 1 7 LYS QD 1 7 LYS QG . . 2.440 2.019 1.988 2.077 . 0 0 "[ . 1 . 2]" 1
28 1 7 LYS QD 1 8 ARG H . . 4.000 3.989 3.309 4.254 0.254 17 0 "[ . 1 . 2]" 1
29 1 7 LYS QG 1 8 ARG H . . 5.250 3.469 2.002 4.521 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG H 1 8 ARG QB . . 3.490 2.861 2.398 3.499 0.009 17 0 "[ . 1 . 2]" 1
31 1 8 ARG H 1 8 ARG QD . . 5.430 4.273 1.900 5.456 0.026 14 0 "[ . 1 . 2]" 1
32 1 8 ARG H 1 8 ARG QG . . 4.850 3.045 1.741 4.215 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG H 1 9 THR H . . 4.550 3.260 2.240 4.504 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG HA 1 8 ARG QD . . 4.590 3.938 2.001 4.537 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG HA 1 8 ARG QG . . 3.650 2.643 2.369 3.401 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG HA 1 37 ILE MD . . 4.120 3.383 2.061 4.176 0.056 10 0 "[ . 1 . 2]" 1
37 1 8 ARG QB 1 8 ARG QD . . 2.880 2.322 2.066 2.784 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG QB 1 8 ARG QG . . 2.300 2.073 1.991 2.095 . 0 0 "[ . 1 . 2]" 1
39 1 8 ARG HB2 1 8 ARG QD . . 3.450 2.649 2.315 3.308 . 0 0 "[ . 1 . 2]" 1
40 1 8 ARG HB2 1 8 ARG QG . . 2.680 2.331 2.167 2.375 . 0 0 "[ . 1 . 2]" 1
41 1 8 ARG HB2 1 9 THR H . . 5.300 3.910 1.887 4.603 . 0 0 "[ . 1 . 2]" 1
42 1 8 ARG HB3 1 8 ARG QD . . 3.450 2.700 2.323 3.505 0.055 12 0 "[ . 1 . 2]" 1
43 1 8 ARG HB3 1 8 ARG QG . . 2.680 2.327 2.159 2.391 . 0 0 "[ . 1 . 2]" 1
44 1 8 ARG HB3 1 9 THR H . . 5.300 3.955 2.182 4.581 . 0 0 "[ . 1 . 2]" 1
45 1 9 THR H 1 10 CYS H . . 5.150 3.182 1.860 4.615 . 0 0 "[ . 1 . 2]" 1
46 1 9 THR HA 1 9 THR MG . . 3.320 2.618 2.291 3.259 . 0 0 "[ . 1 . 2]" 1
47 1 9 THR HA 1 10 CYS H . . 3.560 3.041 2.162 3.520 . 0 0 "[ . 1 . 2]" 1
48 1 9 THR HB 1 10 CYS H . . 4.050 3.485 2.593 4.176 0.126 7 0 "[ . 1 . 2]" 1
49 1 9 THR MG 1 10 CYS H . . 4.480 3.145 2.000 3.879 . 0 0 "[ . 1 . 2]" 1
50 1 9 THR MG 1 10 CYS QB . . 4.270 3.570 2.325 4.408 0.138 8 0 "[ . 1 . 2]" 1
51 1 10 CYS CB 1 47 CYS SG . . 3.000 3.015 2.980 3.082 0.082 12 0 "[ . 1 . 2]" 1
52 1 10 CYS H 1 37 ILE MG . . 5.500 5.192 4.405 5.632 0.132 17 0 "[ . 1 . 2]" 1
53 1 10 CYS HA 1 12 SER H . . 5.080 3.995 3.517 5.177 0.097 3 0 "[ . 1 . 2]" 1
54 1 10 CYS HA 1 37 ILE MD . . 5.340 4.516 2.811 5.406 0.066 12 0 "[ . 1 . 2]" 1
55 1 10 CYS QB 1 11 VAL H . . 4.540 3.232 2.460 3.632 . 0 0 "[ . 1 . 2]" 1
56 1 10 CYS QB 1 11 VAL HA . . 5.010 4.488 4.136 4.751 . 0 0 "[ . 1 . 2]" 1
57 1 10 CYS QB 1 12 SER H . . 4.750 3.694 2.268 4.814 0.064 13 0 "[ . 1 . 2]" 1
58 1 10 CYS QB 1 37 ILE MD . . 3.940 2.995 1.985 3.983 0.043 6 0 "[ . 1 . 2]" 1
59 1 10 CYS SG 1 47 CYS CB . . 3.000 3.030 2.994 3.107 0.107 12 0 "[ . 1 . 2]" 1
60 1 10 CYS SG 1 47 CYS SG . . 2.000 2.020 2.007 2.034 0.034 18 0 "[ . 1 . 2]" 1
61 1 11 VAL H 1 12 SER H . . 4.680 2.165 1.789 4.051 . 0 0 "[ . 1 . 2]" 1
62 1 11 VAL HB 1 12 SER H . . 4.420 3.619 1.878 4.389 . 0 0 "[ . 1 . 2]" 1
63 1 11 VAL HB 1 12 SER QB . . 5.450 4.838 3.742 5.609 0.159 6 0 "[ . 1 . 2]" 1
64 1 11 VAL QG 1 12 SER H . . 4.360 2.977 2.216 3.472 . 0 0 "[ . 1 . 2]" 1
65 1 11 VAL QG 1 12 SER QB . . 4.280 3.604 2.847 4.404 0.124 7 0 "[ . 1 . 2]" 1
66 1 12 SER H 1 13 LEU H . . 5.140 4.412 4.142 4.551 . 0 0 "[ . 1 . 2]" 1
67 1 12 SER HA 1 13 LEU H . . 3.210 2.337 2.117 2.775 . 0 0 "[ . 1 . 2]" 1
68 1 12 SER HA 1 33 LEU QD . . 4.380 4.042 2.745 4.410 0.030 19 0 "[ . 1 . 2]" 1
69 1 12 SER QB 1 13 LEU H . . 3.520 2.680 1.993 3.290 . 0 0 "[ . 1 . 2]" 1
70 1 12 SER QB 1 13 LEU QD . . 4.720 4.306 2.889 4.779 0.059 11 0 "[ . 1 . 2]" 1
71 1 12 SER QB 1 13 LEU HG . . 5.430 5.026 4.198 5.520 0.090 5 0 "[ . 1 . 2]" 1
72 1 12 SER QB 1 14 THR H . . 5.500 5.300 4.117 5.582 0.082 17 0 "[ . 1 . 2]" 1
73 1 12 SER QB 1 33 LEU QD . . 5.280 5.168 4.045 5.368 0.088 4 0 "[ . 1 . 2]" 1
74 1 13 LEU H 1 13 LEU QB . . 3.380 2.516 2.357 2.654 . 0 0 "[ . 1 . 2]" 1
75 1 13 LEU H 1 13 LEU MD1 . . 4.370 3.428 1.970 4.237 . 0 0 "[ . 1 . 2]" 1
76 1 13 LEU H 1 13 LEU QD . . 3.750 2.953 1.790 3.664 . 0 0 "[ . 1 . 2]" 1
77 1 13 LEU H 1 13 LEU MD2 . . 4.370 3.685 1.801 4.246 . 0 0 "[ . 1 . 2]" 1
78 1 13 LEU H 1 13 LEU HG . . 3.510 3.046 2.211 3.756 0.246 18 0 "[ . 1 . 2]" 1
79 1 13 LEU HA 1 13 LEU MD1 . . 4.010 3.605 2.278 3.929 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU HA 1 13 LEU QD . . 3.520 2.298 1.970 3.054 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU HA 1 13 LEU MD2 . . 4.010 2.544 1.976 3.744 . 0 0 "[ . 1 . 2]" 1
82 1 13 LEU QB 1 14 THR H . . 4.350 2.828 2.075 3.469 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU QB 1 48 ALA H . . 5.340 4.833 4.088 5.325 . 0 0 "[ . 1 . 2]" 1
84 1 13 LEU QB 1 48 ALA HA . . 4.530 3.383 2.771 3.791 . 0 0 "[ . 1 . 2]" 1
85 1 13 LEU QB 1 49 ASP H . . 3.670 3.096 2.525 3.475 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU QB 1 49 ASP QB . . 4.760 2.727 1.972 4.127 . 0 0 "[ . 1 . 2]" 1
87 1 13 LEU HB2 1 14 THR H . . 5.090 3.856 2.992 4.367 . 0 0 "[ . 1 . 2]" 1
88 1 13 LEU HB2 1 48 ALA HA . . 5.280 5.023 4.510 5.301 0.021 3 0 "[ . 1 . 2]" 1
89 1 13 LEU HB3 1 14 THR H . . 5.090 2.916 2.115 3.641 . 0 0 "[ . 1 . 2]" 1
90 1 13 LEU HB3 1 48 ALA HA . . 5.280 3.441 2.797 3.883 . 0 0 "[ . 1 . 2]" 1
91 1 13 LEU QD 1 14 THR H . . 4.210 3.673 3.113 4.309 0.099 6 0 "[ . 1 . 2]" 1
92 1 13 LEU QD 1 34 ARG H . . 5.440 4.508 3.838 5.275 . 0 0 "[ . 1 . 2]" 1
93 1 13 LEU QD 1 35 ALA H . . 5.330 4.274 3.880 4.539 . 0 0 "[ . 1 . 2]" 1
94 1 13 LEU QD 1 35 ALA MB . . 3.040 1.999 1.740 2.309 . 0 0 "[ . 1 . 2]" 1
95 1 13 LEU QD 1 36 VAL H . . 5.050 3.262 2.806 3.892 . 0 0 "[ . 1 . 2]" 1
96 1 13 LEU QD 1 47 CYS HA . . 5.440 4.386 3.467 5.508 0.068 6 0 "[ . 1 . 2]" 1
97 1 13 LEU QD 1 47 CYS QB . . 4.010 2.925 1.919 4.067 0.057 6 0 "[ . 1 . 2]" 1
98 1 13 LEU QD 1 48 ALA H . . 5.440 3.562 2.827 4.635 . 0 0 "[ . 1 . 2]" 1
99 1 13 LEU QD 1 48 ALA HA . . 4.590 3.600 3.022 4.591 0.001 6 0 "[ . 1 . 2]" 1
100 1 13 LEU QD 1 49 ASP QB . . 3.870 2.754 1.925 3.336 . 0 0 "[ . 1 . 2]" 1
101 1 13 LEU QD 1 50 PRO QB . . 4.900 4.741 4.371 4.990 0.090 20 0 "[ . 1 . 2]" 1
102 1 13 LEU QD 1 50 PRO QD . . 3.880 2.405 1.901 2.796 . 0 0 "[ . 1 . 2]" 1
103 1 13 LEU QD 1 50 PRO QG . . 4.960 3.722 3.150 4.143 . 0 0 "[ . 1 . 2]" 1
104 1 13 LEU MD1 1 14 THR H . . 5.270 4.722 3.984 5.289 0.019 12 0 "[ . 1 . 2]" 1
105 1 13 LEU MD1 1 48 ALA HA . . 5.500 4.941 3.722 5.566 0.066 1 0 "[ . 1 . 2]" 1
106 1 13 LEU MD1 1 50 PRO HD2 . . 5.500 3.504 2.169 5.500 0.000 5 0 "[ . 1 . 2]" 1
107 1 13 LEU MD1 1 50 PRO HD3 . . 5.500 3.698 2.050 5.301 . 0 0 "[ . 1 . 2]" 1
108 1 13 LEU MD2 1 14 THR H . . 5.270 3.924 3.174 5.058 . 0 0 "[ . 1 . 2]" 1
109 1 13 LEU MD2 1 48 ALA HA . . 5.500 3.793 3.117 5.524 0.024 18 0 "[ . 1 . 2]" 1
110 1 13 LEU MD2 1 50 PRO HD2 . . 5.500 3.577 2.135 4.943 . 0 0 "[ . 1 . 2]" 1
111 1 13 LEU MD2 1 50 PRO HD3 . . 5.500 3.152 1.930 4.676 . 0 0 "[ . 1 . 2]" 1
112 1 13 LEU HG 1 14 THR H . . 4.970 4.805 4.282 5.055 0.085 19 0 "[ . 1 . 2]" 1
113 1 14 THR H 1 14 THR HB . . 3.520 2.670 2.172 3.289 . 0 0 "[ . 1 . 2]" 1
114 1 14 THR H 1 14 THR MG . . 3.450 2.623 2.080 3.614 0.164 11 0 "[ . 1 . 2]" 1
115 1 14 THR H 1 15 THR H . . 4.630 4.352 2.705 4.604 . 0 0 "[ . 1 . 2]" 1
116 1 14 THR H 1 16 GLN H . . 5.500 5.239 4.919 5.573 0.073 1 0 "[ . 1 . 2]" 1
117 1 14 THR H 1 47 CYS QB . . 5.340 3.884 3.208 4.838 . 0 0 "[ . 1 . 2]" 1
118 1 14 THR H 1 48 ALA HA . . 4.360 2.519 2.123 2.912 . 0 0 "[ . 1 . 2]" 1
119 1 14 THR H 1 48 ALA MB . . 4.520 3.994 3.681 4.331 . 0 0 "[ . 1 . 2]" 1
120 1 14 THR H 1 49 ASP H . . 4.570 3.751 2.681 4.547 . 0 0 "[ . 1 . 2]" 1
121 1 14 THR HA 1 14 THR MG . . 3.640 3.010 2.279 3.244 . 0 0 "[ . 1 . 2]" 1
122 1 14 THR HA 1 15 THR H . . 3.470 2.333 2.100 3.488 0.018 19 0 "[ . 1 . 2]" 1
123 1 14 THR HB 1 15 THR H . . 4.810 4.037 3.585 4.457 . 0 0 "[ . 1 . 2]" 1
124 1 14 THR HB 1 16 GLN H . . 4.670 4.198 3.868 4.680 0.010 19 0 "[ . 1 . 2]" 1
125 1 14 THR HB 1 54 TRP HZ2 . . 5.320 5.037 3.992 5.405 0.085 3 0 "[ . 1 . 2]" 1
126 1 14 THR MG 1 15 THR H . . 4.720 3.183 2.235 3.581 . 0 0 "[ . 1 . 2]" 1
127 1 14 THR MG 1 16 GLN H . . 3.920 2.539 2.111 2.856 . 0 0 "[ . 1 . 2]" 1
128 1 14 THR MG 1 16 GLN HA . . 4.510 4.447 4.076 4.616 0.106 2 0 "[ . 1 . 2]" 1
129 1 14 THR MG 1 17 ARG HA . . 5.200 4.185 3.944 4.877 . 0 0 "[ . 1 . 2]" 1
130 1 14 THR MG 1 48 ALA HA . . 4.090 2.699 1.944 4.160 0.070 5 0 "[ . 1 . 2]" 1
131 1 14 THR MG 1 49 ASP H . . 5.200 3.934 2.867 5.216 0.016 14 0 "[ . 1 . 2]" 1
132 1 14 THR MG 1 54 TRP HH2 . . 4.430 3.571 3.000 4.444 0.014 6 0 "[ . 1 . 2]" 1
133 1 14 THR MG 1 54 TRP HZ2 . . 3.630 2.689 2.163 3.666 0.036 14 0 "[ . 1 . 2]" 1
134 1 15 THR H 1 15 THR MG . . 4.020 2.979 2.018 4.040 0.020 19 0 "[ . 1 . 2]" 1
135 1 15 THR H 1 16 GLN H . . 3.360 2.192 1.670 3.432 0.072 14 0 "[ . 1 . 2]" 1
136 1 15 THR H 1 16 GLN QB . . 5.340 4.176 3.358 5.082 . 0 0 "[ . 1 . 2]" 1
137 1 15 THR H 1 16 GLN QG . . 5.140 3.615 2.885 5.167 0.027 9 0 "[ . 1 . 2]" 1
138 1 15 THR HA 1 15 THR MG . . 3.490 2.510 2.262 3.241 . 0 0 "[ . 1 . 2]" 1
139 1 15 THR HA 1 54 TRP HZ2 . . 5.170 4.701 3.191 5.234 0.064 12 0 "[ . 1 . 2]" 1
140 1 15 THR HB 1 16 GLN H . . 5.160 4.007 2.759 4.492 . 0 0 "[ . 1 . 2]" 1
141 1 15 THR MG 1 16 GLN H . . 4.630 3.894 2.564 4.307 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLN H 1 16 GLN HB2 . . 3.860 3.027 2.328 3.921 0.061 14 0 "[ . 1 . 2]" 1
143 1 16 GLN H 1 16 GLN QB . . 3.300 2.577 2.159 3.228 . 0 0 "[ . 1 . 2]" 1
144 1 16 GLN H 1 16 GLN HB3 . . 3.860 3.226 2.557 3.636 . 0 0 "[ . 1 . 2]" 1
145 1 16 GLN H 1 16 GLN QG . . 4.060 2.421 2.030 3.937 . 0 0 "[ . 1 . 2]" 1
146 1 16 GLN H 1 54 TRP HZ2 . . 5.310 4.612 3.794 5.092 . 0 0 "[ . 1 . 2]" 1
147 1 16 GLN HA 1 17 ARG H . . 2.850 2.371 2.080 2.832 . 0 0 "[ . 1 . 2]" 1
148 1 16 GLN HA 1 17 ARG QB . . 5.280 4.487 4.333 4.646 . 0 0 "[ . 1 . 2]" 1
149 1 16 GLN QB 1 17 ARG H . . 3.520 2.646 2.016 3.446 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLN HB2 1 17 ARG H . . 4.020 3.230 2.026 4.136 0.116 9 0 "[ . 1 . 2]" 1
151 1 16 GLN HB3 1 17 ARG H . . 4.020 3.309 2.224 4.063 0.043 4 0 "[ . 1 . 2]" 1
152 1 16 GLN QG 1 17 ARG H . . 5.170 3.865 2.728 4.792 . 0 0 "[ . 1 . 2]" 1
153 1 17 ARG H 1 17 ARG QB . . 3.160 2.547 2.432 2.667 . 0 0 "[ . 1 . 2]" 1
154 1 17 ARG H 1 17 ARG QD . . 4.960 4.442 4.045 4.719 . 0 0 "[ . 1 . 2]" 1
155 1 17 ARG H 1 17 ARG HG2 . . 4.390 3.540 3.215 3.909 . 0 0 "[ . 1 . 2]" 1
156 1 17 ARG H 1 17 ARG QG . . 3.810 2.578 2.282 2.952 . 0 0 "[ . 1 . 2]" 1
157 1 17 ARG H 1 17 ARG HG3 . . 4.390 2.650 2.335 3.054 . 0 0 "[ . 1 . 2]" 1
158 1 17 ARG H 1 18 LEU H . . 5.310 4.455 4.307 4.536 . 0 0 "[ . 1 . 2]" 1
159 1 17 ARG H 1 18 LEU HA . . 5.320 5.110 4.760 5.340 0.020 17 0 "[ . 1 . 2]" 1
160 1 17 ARG HA 1 17 ARG QD . . 4.510 3.778 3.699 3.863 . 0 0 "[ . 1 . 2]" 1
161 1 17 ARG HA 1 18 LEU H . . 3.480 2.245 2.087 2.590 . 0 0 "[ . 1 . 2]" 1
162 1 17 ARG HA 1 18 LEU QB . . 4.970 4.331 4.202 4.485 . 0 0 "[ . 1 . 2]" 1
163 1 17 ARG HA 1 18 LEU QD . . 5.020 3.164 2.923 4.237 . 0 0 "[ . 1 . 2]" 1
164 1 17 ARG HA 1 54 TRP HD1 . . 4.600 4.668 4.443 4.793 0.193 18 0 "[ . 1 . 2]" 1
165 1 17 ARG HA 1 54 TRP HE1 . . 5.280 3.550 3.119 3.878 . 0 0 "[ . 1 . 2]" 1
166 1 17 ARG HA 1 54 TRP HH2 . . 5.500 3.719 3.466 3.886 . 0 0 "[ . 1 . 2]" 1
167 1 17 ARG HA 1 54 TRP HZ2 . . 4.210 3.041 2.681 3.352 . 0 0 "[ . 1 . 2]" 1
168 1 17 ARG QB 1 17 ARG QD . . 3.500 2.166 1.970 2.238 . 0 0 "[ . 1 . 2]" 1
169 1 17 ARG QB 1 18 LEU H . . 4.420 2.616 1.978 3.256 . 0 0 "[ . 1 . 2]" 1
170 1 17 ARG QB 1 54 TRP HB2 . . 5.500 3.523 2.877 3.972 . 0 0 "[ . 1 . 2]" 1
171 1 17 ARG QB 1 54 TRP QB . . 4.760 3.251 2.721 3.652 . 0 0 "[ . 1 . 2]" 1
172 1 17 ARG QB 1 54 TRP HB3 . . 5.500 3.825 3.358 4.261 . 0 0 "[ . 1 . 2]" 1
173 1 17 ARG QB 1 54 TRP HD1 . . 4.430 4.403 4.178 4.498 0.068 11 0 "[ . 1 . 2]" 1
174 1 17 ARG QB 1 54 TRP HE1 . . 5.500 4.560 4.352 4.719 . 0 0 "[ . 1 . 2]" 1
175 1 17 ARG QB 1 54 TRP HZ2 . . 4.960 4.844 4.545 5.036 0.076 20 0 "[ . 1 . 2]" 1
176 1 17 ARG QD 1 54 TRP H . . 5.050 4.051 3.763 4.706 . 0 0 "[ . 1 . 2]" 1
177 1 17 ARG QD 1 54 TRP HB2 . . 4.650 2.794 2.608 2.949 . 0 0 "[ . 1 . 2]" 1
178 1 17 ARG QD 1 54 TRP QB . . 4.090 2.081 1.891 2.367 . 0 0 "[ . 1 . 2]" 1
179 1 17 ARG QD 1 54 TRP HB3 . . 4.650 2.152 1.929 2.527 . 0 0 "[ . 1 . 2]" 1
180 1 17 ARG QD 1 54 TRP HD1 . . 4.250 2.881 2.628 3.483 . 0 0 "[ . 1 . 2]" 1
181 1 17 ARG QD 1 54 TRP HE3 . . 4.230 4.303 4.178 4.377 0.147 15 0 "[ . 1 . 2]" 1
182 1 17 ARG QD 1 54 TRP HZ2 . . 5.500 5.611 5.560 5.663 0.163 10 0 "[ . 1 . 2]" 1
183 1 17 ARG QG 1 54 TRP QB . . 4.470 3.273 3.104 3.432 . 0 0 "[ . 1 . 2]" 1
184 1 17 ARG QG 1 54 TRP HD1 . . 4.310 2.733 2.552 2.900 . 0 0 "[ . 1 . 2]" 1
185 1 17 ARG HG2 1 18 LEU H . . 5.320 4.186 3.864 4.540 . 0 0 "[ . 1 . 2]" 1
186 1 17 ARG HG2 1 54 TRP HD1 . . 4.900 2.771 2.583 2.939 . 0 0 "[ . 1 . 2]" 1
187 1 17 ARG HG3 1 18 LEU H . . 5.320 4.995 4.669 5.304 . 0 0 "[ . 1 . 2]" 1
188 1 17 ARG HG3 1 54 TRP HD1 . . 4.900 4.169 3.876 4.445 . 0 0 "[ . 1 . 2]" 1
189 1 18 LEU H 1 18 LEU MD1 . . 5.500 2.768 2.339 4.294 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU H 1 18 LEU QD . . 4.590 2.630 2.327 3.601 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU H 1 18 LEU MD2 . . 5.500 4.173 2.536 4.546 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU H 1 18 LEU HG . . 4.830 3.936 2.438 4.369 . 0 0 "[ . 1 . 2]" 1
193 1 18 LEU H 1 54 TRP HH2 . . 5.330 3.281 2.794 4.342 . 0 0 "[ . 1 . 2]" 1
194 1 18 LEU HA 1 18 LEU MD1 . . 3.990 3.109 2.841 4.015 0.025 18 0 "[ . 1 . 2]" 1
195 1 18 LEU HA 1 18 LEU QD . . 3.390 2.893 2.140 3.398 0.008 18 0 "[ . 1 . 2]" 1
196 1 18 LEU HA 1 18 LEU MD2 . . 3.990 3.745 2.150 4.049 0.059 15 0 "[ . 1 . 2]" 1
197 1 18 LEU HA 1 19 PRO HD2 . . 3.360 2.504 2.041 3.058 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU HA 1 19 PRO QD . . 2.910 2.033 1.886 2.129 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU HA 1 19 PRO HD3 . . 3.360 2.243 2.057 2.604 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU QB 1 19 PRO HD2 . . 4.210 2.478 2.055 2.952 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU QB 1 19 PRO QD . . 3.570 2.431 2.005 2.882 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU QB 1 19 PRO HD3 . . 4.210 3.530 2.791 4.031 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU QB 1 22 ARG H . . 5.250 4.588 4.172 4.985 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU QB 1 22 ARG QB . . 4.790 3.227 2.306 4.537 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU QB 1 23 ILE MD . . 4.000 3.130 2.164 4.034 0.034 15 0 "[ . 1 . 2]" 1
206 1 18 LEU QB 1 23 ILE QG . . 4.490 3.862 2.968 4.562 0.072 18 0 "[ . 1 . 2]" 1
207 1 18 LEU QB 1 54 TRP HE3 . . 4.760 4.368 3.731 5.010 0.250 18 0 "[ . 1 . 2]" 1
208 1 18 LEU QB 1 54 TRP HH2 . . 4.240 3.124 2.302 4.312 0.072 18 0 "[ . 1 . 2]" 1
209 1 18 LEU QB 1 54 TRP HZ3 . . 4.500 2.589 1.976 3.765 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU QD 1 19 PRO QD . . 3.670 3.466 2.732 3.717 0.047 20 0 "[ . 1 . 2]" 1
211 1 18 LEU QD 1 22 ARG QB . . 5.280 3.350 2.433 4.245 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU QD 1 22 ARG QD . . 5.110 3.578 2.364 4.554 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU QD 1 23 ILE H . . 5.430 5.154 3.613 5.478 0.048 5 0 "[ . 1 . 2]" 1
214 1 18 LEU QD 1 23 ILE HA . . 5.440 4.499 2.780 5.030 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU QD 1 38 PHE QB . . 4.330 3.354 2.409 3.739 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU QD 1 38 PHE QD . . 4.370 4.166 3.165 4.410 0.040 19 0 "[ . 1 . 2]" 1
217 1 18 LEU QD 1 46 VAL HB . . 4.320 3.104 2.721 3.519 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU QD 1 47 CYS H . . 5.440 4.926 4.691 5.367 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU QD 1 54 TRP HH2 . . 4.350 2.110 1.898 2.954 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU QD 1 54 TRP HZ3 . . 5.440 3.085 1.934 3.697 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU MD1 1 19 PRO HD2 . . 5.500 4.490 3.394 4.814 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU MD1 1 19 PRO HD3 . . 5.500 4.841 4.177 5.129 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU MD1 1 38 PHE QB . . 5.040 4.373 2.637 5.040 0.000 6 0 "[ . 1 . 2]" 1
224 1 18 LEU MD1 1 38 PHE QD . . 5.500 4.786 3.183 5.246 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU MD1 1 54 TRP HH2 . . 5.500 2.306 1.903 4.517 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU MD2 1 19 PRO HD2 . . 5.500 3.945 3.040 4.755 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU MD2 1 19 PRO HD3 . . 5.500 4.966 3.283 5.513 0.013 3 0 "[ . 1 . 2]" 1
228 1 18 LEU MD2 1 38 PHE QB . . 5.040 3.583 2.560 4.739 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU MD2 1 38 PHE QD . . 5.500 4.700 3.593 5.535 0.035 14 0 "[ . 1 . 2]" 1
230 1 18 LEU MD2 1 54 TRP HH2 . . 5.500 3.444 1.990 4.169 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU HG 1 19 PRO HD2 . . 5.110 3.811 3.377 4.856 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU HG 1 19 PRO HD3 . . 5.110 4.474 3.880 5.176 0.066 15 0 "[ . 1 . 2]" 1
233 1 18 LEU HG 1 23 ILE MD . . 5.500 5.098 2.256 5.598 0.098 3 0 "[ . 1 . 2]" 1
234 1 18 LEU HG 1 54 TRP HH2 . . 5.460 4.571 2.298 5.378 . 0 0 "[ . 1 . 2]" 1
235 1 19 PRO HA 1 20 CYS H . . 3.440 2.249 2.113 3.299 . 0 0 "[ . 1 . 2]" 1
236 1 19 PRO HA 1 20 CYS HB2 . . 5.500 4.446 4.210 4.740 . 0 0 "[ . 1 . 2]" 1
237 1 19 PRO HA 1 20 CYS HB3 . . 5.500 5.102 4.519 5.615 0.115 12 0 "[ . 1 . 2]" 1
238 1 19 PRO HA 1 21 SER H . . 5.280 3.821 3.679 4.133 . 0 0 "[ . 1 . 2]" 1
239 1 19 PRO QB 1 21 SER H . . 4.570 2.734 2.249 3.075 . 0 0 "[ . 1 . 2]" 1
240 1 19 PRO QB 1 22 ARG H . . 4.560 3.075 2.434 3.976 . 0 0 "[ . 1 . 2]" 1
241 1 19 PRO HB2 1 21 SER H . . 5.400 2.831 2.261 3.235 . 0 0 "[ . 1 . 2]" 1
242 1 19 PRO HB3 1 21 SER H . . 5.400 3.832 3.360 4.586 . 0 0 "[ . 1 . 2]" 1
243 1 19 PRO QD 1 22 ARG H . . 5.120 4.372 3.897 5.112 . 0 0 "[ . 1 . 2]" 1
244 1 19 PRO QD 1 22 ARG QB . . 5.180 3.215 2.479 4.564 . 0 0 "[ . 1 . 2]" 1
245 1 19 PRO QG 1 22 ARG H . . 4.320 3.833 2.852 4.330 0.010 18 0 "[ . 1 . 2]" 1
246 1 19 PRO QG 1 22 ARG HA . . 5.350 5.185 4.698 5.443 0.093 2 0 "[ . 1 . 2]" 1
247 1 20 CYS CB 1 58 CYS SG . . 3.000 3.005 2.974 3.098 0.098 5 0 "[ . 1 . 2]" 1
248 1 20 CYS H 1 20 CYS QB . . 3.670 2.332 2.198 3.037 . 0 0 "[ . 1 . 2]" 1
249 1 20 CYS H 1 21 SER H . . 4.480 2.606 2.416 3.342 . 0 0 "[ . 1 . 2]" 1
250 1 20 CYS HA 1 22 ARG H . . 4.210 3.565 3.468 3.689 . 0 0 "[ . 1 . 2]" 1
251 1 20 CYS HA 1 23 ILE H . . 4.250 3.314 2.725 3.786 . 0 0 "[ . 1 . 2]" 1
252 1 20 CYS HA 1 23 ILE HB . . 5.190 3.460 2.038 4.270 . 0 0 "[ . 1 . 2]" 1
253 1 20 CYS HA 1 23 ILE MD . . 3.880 3.446 2.375 3.910 0.030 12 0 "[ . 1 . 2]" 1
254 1 20 CYS HA 1 23 ILE QG . . 5.340 2.132 1.920 2.429 . 0 0 "[ . 1 . 2]" 1
255 1 20 CYS HA 1 23 ILE MG . . 4.890 4.402 3.545 4.911 0.021 3 0 "[ . 1 . 2]" 1
256 1 20 CYS HA 1 58 CYS HB2 . . 5.500 4.674 4.044 4.959 . 0 0 "[ . 1 . 2]" 1
257 1 20 CYS HA 1 58 CYS HB3 . . 5.500 4.156 3.097 4.745 . 0 0 "[ . 1 . 2]" 1
258 1 20 CYS QB 1 21 SER HA . . 5.340 4.114 4.016 4.310 . 0 0 "[ . 1 . 2]" 1
259 1 20 CYS QB 1 23 ILE H . . 5.270 4.765 4.272 5.078 . 0 0 "[ . 1 . 2]" 1
260 1 20 CYS QB 1 23 ILE MD . . 5.340 4.851 3.434 5.312 . 0 0 "[ . 1 . 2]" 1
261 1 20 CYS HB2 1 21 SER H . . 5.310 3.776 3.032 4.071 . 0 0 "[ . 1 . 2]" 1
262 1 20 CYS HB2 1 58 CYS HA . . 5.500 4.918 4.155 5.306 . 0 0 "[ . 1 . 2]" 1
263 1 20 CYS HB2 1 61 SER QB . . 5.500 5.295 4.162 5.620 0.120 8 0 "[ . 1 . 2]" 1
264 1 20 CYS HB3 1 21 SER H . . 5.310 3.335 2.876 4.080 . 0 0 "[ . 1 . 2]" 1
265 1 20 CYS HB3 1 58 CYS HA . . 5.500 4.990 3.000 5.511 0.011 11 0 "[ . 1 . 2]" 1
266 1 20 CYS HB3 1 61 SER QB . . 5.500 4.891 3.148 5.468 . 0 0 "[ . 1 . 2]" 1
267 1 20 CYS SG 1 58 CYS CB . . 3.000 3.032 2.995 3.075 0.075 10 0 "[ . 1 . 2]" 1
268 1 20 CYS SG 1 58 CYS SG . . 2.000 2.035 2.027 2.041 0.041 18 0 "[ . 1 . 2]" 1
269 1 21 SER H 1 22 ARG H . . 4.130 2.625 2.419 2.793 . 0 0 "[ . 1 . 2]" 1
270 1 21 SER HA 1 23 ILE H . . 4.730 3.839 3.454 4.504 . 0 0 "[ . 1 . 2]" 1
271 1 21 SER HB2 1 22 ARG H . . 5.150 3.733 3.008 4.400 . 0 0 "[ . 1 . 2]" 1
272 1 21 SER HB3 1 22 ARG H . . 5.150 3.757 3.015 4.389 . 0 0 "[ . 1 . 2]" 1
273 1 22 ARG H 1 22 ARG HB2 . . 4.150 2.635 2.343 3.765 . 0 0 "[ . 1 . 2]" 1
274 1 22 ARG H 1 22 ARG QB . . 3.650 2.501 2.314 2.830 . 0 0 "[ . 1 . 2]" 1
275 1 22 ARG H 1 22 ARG HB3 . . 4.150 3.598 2.799 3.753 . 0 0 "[ . 1 . 2]" 1
276 1 22 ARG H 1 22 ARG QD . . 5.200 4.123 3.980 4.287 . 0 0 "[ . 1 . 2]" 1
277 1 22 ARG H 1 22 ARG QG . . 3.150 2.615 2.110 2.892 . 0 0 "[ . 1 . 2]" 1
278 1 22 ARG H 1 23 ILE H . . 3.370 2.282 2.045 2.442 . 0 0 "[ . 1 . 2]" 1
279 1 22 ARG H 1 23 ILE QG . . 4.700 3.471 3.144 3.595 . 0 0 "[ . 1 . 2]" 1
280 1 22 ARG HA 1 22 ARG QD . . 4.470 3.970 1.954 4.492 0.022 15 0 "[ . 1 . 2]" 1
281 1 22 ARG HA 1 22 ARG HG2 . . 3.660 2.642 2.436 3.729 0.069 15 0 "[ . 1 . 2]" 1
282 1 22 ARG HA 1 22 ARG QG . . 3.190 2.507 2.324 3.284 0.094 16 0 "[ . 1 . 2]" 1
283 1 22 ARG HA 1 22 ARG HG3 . . 3.660 3.181 2.805 3.686 0.026 16 0 "[ . 1 . 2]" 1
284 1 22 ARG HA 1 41 LYS QB . . 5.240 3.680 2.604 4.489 . 0 0 "[ . 1 . 2]" 1
285 1 22 ARG HA 1 41 LYS QE . . 4.820 2.880 1.953 4.571 . 0 0 "[ . 1 . 2]" 1
286 1 22 ARG QB 1 22 ARG QG . . 2.150 2.074 2.008 2.092 . 0 0 "[ . 1 . 2]" 1
287 1 22 ARG QB 1 23 ILE QG . . 4.890 3.970 3.322 4.928 0.038 16 0 "[ . 1 . 2]" 1
288 1 22 ARG QB 1 40 THR HA . . 5.340 3.976 3.462 4.414 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE H 1 23 ILE HB . . 3.540 2.545 2.444 2.635 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE H 1 23 ILE MD . . 4.630 3.574 3.360 3.959 . 0 0 "[ . 1 . 2]" 1
291 1 23 ILE H 1 23 ILE HG12 . . 4.220 2.350 2.119 3.710 . 0 0 "[ . 1 . 2]" 1
292 1 23 ILE H 1 23 ILE QG . . 3.470 2.274 2.103 2.624 . 0 0 "[ . 1 . 2]" 1
293 1 23 ILE H 1 23 ILE HG13 . . 4.220 3.567 2.683 3.737 . 0 0 "[ . 1 . 2]" 1
294 1 23 ILE H 1 23 ILE MG . . 4.390 3.757 3.730 3.777 . 0 0 "[ . 1 . 2]" 1
295 1 23 ILE H 1 24 LYS H . . 5.450 4.487 4.395 4.568 . 0 0 "[ . 1 . 2]" 1
296 1 23 ILE H 1 40 THR HA . . 5.260 5.018 4.764 5.161 . 0 0 "[ . 1 . 2]" 1
297 1 23 ILE HA 1 23 ILE MD . . 4.780 2.303 2.169 3.621 . 0 0 "[ . 1 . 2]" 1
298 1 23 ILE HA 1 23 ILE MG . . 3.710 2.388 2.292 2.531 . 0 0 "[ . 1 . 2]" 1
299 1 23 ILE HA 1 24 LYS H . . 3.500 2.150 1.975 2.227 . 0 0 "[ . 1 . 2]" 1
300 1 23 ILE HA 1 24 LYS HB2 . . 5.500 4.279 3.730 4.545 . 0 0 "[ . 1 . 2]" 1
301 1 23 ILE HA 1 24 LYS QB . . 4.810 3.935 3.515 4.108 . 0 0 "[ . 1 . 2]" 1
302 1 23 ILE HA 1 24 LYS HB3 . . 5.500 4.602 4.299 4.808 . 0 0 "[ . 1 . 2]" 1
303 1 23 ILE HA 1 25 THR H . . 4.780 4.071 3.784 4.405 . 0 0 "[ . 1 . 2]" 1
304 1 23 ILE HA 1 40 THR HA . . 3.760 2.977 2.471 3.184 . 0 0 "[ . 1 . 2]" 1
305 1 23 ILE HA 1 41 LYS H . . 5.500 4.416 3.680 4.996 . 0 0 "[ . 1 . 2]" 1
306 1 23 ILE HB 1 24 LYS H . . 5.140 4.171 4.078 4.239 . 0 0 "[ . 1 . 2]" 1
307 1 23 ILE HB 1 58 CYS HB2 . . 5.320 5.368 5.315 5.408 0.088 5 0 "[ . 1 . 2]" 1
308 1 23 ILE HB 1 58 CYS QB . . 4.450 3.941 3.685 4.572 0.122 14 0 "[ . 1 . 2]" 1
309 1 23 ILE HB 1 58 CYS HB3 . . 5.320 4.082 3.755 4.986 . 0 0 "[ . 1 . 2]" 1
310 1 23 ILE MD 1 23 ILE MG . . 3.040 1.980 1.805 2.049 . 0 0 "[ . 1 . 2]" 1
311 1 23 ILE MD 1 24 LYS H . . 5.500 3.830 3.690 4.507 . 0 0 "[ . 1 . 2]" 1
312 1 23 ILE MD 1 24 LYS QB . . 5.240 5.222 5.022 5.578 0.338 14 0 "[ . 1 . 2]" 1
313 1 23 ILE MD 1 26 TYR QD . . 5.090 5.149 5.096 5.211 0.121 6 0 "[ . 1 . 2]" 1
314 1 23 ILE MD 1 38 PHE QB . . 4.120 2.325 2.114 2.545 . 0 0 "[ . 1 . 2]" 1
315 1 23 ILE MD 1 38 PHE QD . . 4.560 2.284 2.122 2.460 . 0 0 "[ . 1 . 2]" 1
316 1 23 ILE MD 1 38 PHE QE . . 4.720 3.068 2.901 3.216 . 0 0 "[ . 1 . 2]" 1
317 1 23 ILE MD 1 38 PHE HZ . . 5.390 4.087 3.924 4.265 . 0 0 "[ . 1 . 2]" 1
318 1 23 ILE MD 1 40 THR HA . . 5.250 4.187 3.905 4.944 . 0 0 "[ . 1 . 2]" 1
319 1 23 ILE MD 1 54 TRP HZ3 . . 4.640 2.590 2.213 3.076 . 0 0 "[ . 1 . 2]" 1
320 1 23 ILE MD 1 58 CYS HB2 . . 5.000 3.634 3.267 4.404 . 0 0 "[ . 1 . 2]" 1
321 1 23 ILE MD 1 58 CYS QB . . 4.150 3.091 2.746 3.492 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE MD 1 58 CYS HB3 . . 5.000 3.363 2.884 3.697 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE MD 1 59 VAL HA . . 5.310 5.242 4.993 5.369 0.059 20 0 "[ . 1 . 2]" 1
324 1 23 ILE MD 1 59 VAL HB . . 5.500 5.653 5.607 5.698 0.198 8 0 "[ . 1 . 2]" 1
325 1 23 ILE QG 1 24 LYS H . . 5.270 4.593 3.619 4.696 . 0 0 "[ . 1 . 2]" 1
326 1 23 ILE QG 1 38 PHE QB . . 4.670 4.209 2.616 4.519 . 0 0 "[ . 1 . 2]" 1
327 1 23 ILE QG 1 38 PHE QD . . 4.950 4.010 3.768 4.158 . 0 0 "[ . 1 . 2]" 1
328 1 23 ILE QG 1 40 THR HA . . 5.340 5.254 3.488 5.402 0.062 13 0 "[ . 1 . 2]" 1
329 1 23 ILE HG12 1 38 PHE QB . . 5.460 4.691 2.646 5.025 . 0 0 "[ . 1 . 2]" 1
330 1 23 ILE HG13 1 38 PHE QB . . 5.460 4.803 4.098 5.124 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE MG 1 24 LYS H . . 4.020 2.610 2.430 2.763 . 0 0 "[ . 1 . 2]" 1
332 1 23 ILE MG 1 24 LYS HB2 . . 4.570 4.626 4.272 4.686 0.116 3 0 "[ . 1 . 2]" 1
333 1 23 ILE MG 1 24 LYS QB . . 3.930 3.970 3.590 4.036 0.106 2 0 "[ . 1 . 2]" 1
334 1 23 ILE MG 1 24 LYS HB3 . . 4.570 4.324 3.859 4.468 . 0 0 "[ . 1 . 2]" 1
335 1 23 ILE MG 1 25 THR H . . 3.650 2.995 2.569 3.261 . 0 0 "[ . 1 . 2]" 1
336 1 23 ILE MG 1 25 THR HA . . 4.910 3.360 3.122 3.530 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE MG 1 26 TYR QD . . 5.230 3.618 3.299 3.832 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE MG 1 38 PHE HA . . 4.800 3.945 3.353 4.216 . 0 0 "[ . 1 . 2]" 1
339 1 23 ILE MG 1 38 PHE QB . . 3.930 2.986 2.687 3.237 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE MG 1 38 PHE QD . . 3.740 1.996 1.878 2.113 . 0 0 "[ . 1 . 2]" 1
341 1 23 ILE MG 1 38 PHE QE . . 4.720 2.777 2.617 2.975 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE MG 1 38 PHE HZ . . 5.190 4.590 4.352 4.796 . 0 0 "[ . 1 . 2]" 1
343 1 23 ILE MG 1 39 ILE H . . 4.900 3.929 3.216 4.331 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE MG 1 40 THR HA . . 5.500 4.503 3.980 4.729 . 0 0 "[ . 1 . 2]" 1
345 1 23 ILE MG 1 58 CYS QB . . 5.090 3.090 2.681 4.046 . 0 0 "[ . 1 . 2]" 1
346 1 23 ILE MG 1 62 MET HG2 . . 5.500 2.839 2.417 3.592 . 0 0 "[ . 1 . 2]" 1
347 1 23 ILE MG 1 62 MET HG3 . . 5.500 2.333 2.022 2.834 . 0 0 "[ . 1 . 2]" 1
348 1 24 LYS H 1 24 LYS HB2 . . 4.020 2.597 2.231 2.827 . 0 0 "[ . 1 . 2]" 1
349 1 24 LYS H 1 24 LYS HB3 . . 4.020 2.507 2.366 2.694 . 0 0 "[ . 1 . 2]" 1
350 1 24 LYS H 1 24 LYS QG . . 4.420 4.078 3.930 4.202 . 0 0 "[ . 1 . 2]" 1
351 1 24 LYS H 1 25 THR H . . 3.350 2.224 2.068 2.403 . 0 0 "[ . 1 . 2]" 1
352 1 24 LYS H 1 38 PHE QB . . 5.460 4.208 3.895 4.609 . 0 0 "[ . 1 . 2]" 1
353 1 24 LYS H 1 39 ILE H . . 4.680 3.957 3.734 4.138 . 0 0 "[ . 1 . 2]" 1
354 1 24 LYS H 1 40 THR HA . . 3.840 2.862 2.622 3.006 . 0 0 "[ . 1 . 2]" 1
355 1 24 LYS H 1 41 LYS H . . 5.110 4.196 3.889 4.736 . 0 0 "[ . 1 . 2]" 1
356 1 24 LYS H 1 41 LYS HA . . 5.500 4.918 4.471 5.462 . 0 0 "[ . 1 . 2]" 1
357 1 24 LYS HA 1 24 LYS HD2 . . 4.700 4.101 2.969 4.540 . 0 0 "[ . 1 . 2]" 1
358 1 24 LYS HA 1 24 LYS QD . . 4.040 3.252 2.720 4.125 0.085 17 0 "[ . 1 . 2]" 1
359 1 24 LYS HA 1 24 LYS HD3 . . 4.700 3.557 2.786 4.744 0.044 3 0 "[ . 1 . 2]" 1
360 1 24 LYS HA 1 24 LYS QE . . 5.190 4.283 2.480 4.933 . 0 0 "[ . 1 . 2]" 1
361 1 24 LYS HA 1 24 LYS QG . . 3.820 2.505 2.377 2.621 . 0 0 "[ . 1 . 2]" 1
362 1 24 LYS QB 1 24 LYS QD . . 2.550 2.385 2.252 2.619 0.069 2 0 "[ . 1 . 2]" 1
363 1 24 LYS QB 1 24 LYS QG . . 2.310 2.047 2.001 2.102 . 0 0 "[ . 1 . 2]" 1
364 1 24 LYS QB 1 39 ILE H . . 4.800 4.075 3.590 4.476 . 0 0 "[ . 1 . 2]" 1
365 1 24 LYS QB 1 39 ILE MG . . 4.120 3.388 2.759 3.773 . 0 0 "[ . 1 . 2]" 1
366 1 24 LYS QB 1 41 LYS HA . . 3.850 2.519 2.191 3.031 . 0 0 "[ . 1 . 2]" 1
367 1 24 LYS HB2 1 25 THR H . . 4.180 3.517 3.300 3.741 . 0 0 "[ . 1 . 2]" 1
368 1 24 LYS HB2 1 25 THR HB . . 5.500 5.420 5.197 5.522 0.022 7 0 "[ . 1 . 2]" 1
369 1 24 LYS HB2 1 25 THR MG . . 4.660 4.322 4.072 4.632 . 0 0 "[ . 1 . 2]" 1
370 1 24 LYS HB2 1 40 THR HA . . 5.500 3.339 3.104 3.644 . 0 0 "[ . 1 . 2]" 1
371 1 24 LYS HB3 1 25 THR H . . 4.180 2.196 1.914 2.463 . 0 0 "[ . 1 . 2]" 1
372 1 24 LYS HB3 1 25 THR HB . . 5.500 4.006 3.795 4.217 . 0 0 "[ . 1 . 2]" 1
373 1 24 LYS HB3 1 25 THR MG . . 4.660 2.764 2.509 3.057 . 0 0 "[ . 1 . 2]" 1
374 1 24 LYS HB3 1 40 THR HA . . 5.500 3.886 3.325 4.204 . 0 0 "[ . 1 . 2]" 1
375 1 24 LYS QD 1 25 THR H . . 3.540 3.433 3.143 3.608 0.068 3 0 "[ . 1 . 2]" 1
376 1 24 LYS QD 1 25 THR MG . . 4.340 2.350 2.040 3.405 . 0 0 "[ . 1 . 2]" 1
377 1 24 LYS QE 1 24 LYS QG . . 3.500 2.312 2.109 2.708 . 0 0 "[ . 1 . 2]" 1
378 1 24 LYS QE 1 25 THR MG . . 5.050 3.603 1.984 4.183 . 0 0 "[ . 1 . 2]" 1
379 1 24 LYS QE 1 39 ILE HB . . 5.500 4.687 2.965 5.540 0.040 8 0 "[ . 1 . 2]" 1
380 1 24 LYS QG 1 25 THR H . . 5.230 4.010 3.215 4.305 . 0 0 "[ . 1 . 2]" 1
381 1 24 LYS QG 1 41 LYS HA . . 3.560 2.749 2.286 3.597 0.037 12 0 "[ . 1 . 2]" 1
382 1 25 THR H 1 25 THR MG . . 3.920 2.515 2.308 2.666 . 0 0 "[ . 1 . 2]" 1
383 1 25 THR H 1 26 TYR H . . 5.330 4.284 4.240 4.334 . 0 0 "[ . 1 . 2]" 1
384 1 25 THR H 1 38 PHE QB . . 5.200 4.526 4.231 4.841 . 0 0 "[ . 1 . 2]" 1
385 1 25 THR H 1 39 ILE H . . 3.940 2.952 2.774 3.126 . 0 0 "[ . 1 . 2]" 1
386 1 25 THR H 1 39 ILE HB . . 3.950 3.019 2.734 3.406 . 0 0 "[ . 1 . 2]" 1
387 1 25 THR H 1 39 ILE QG . . 5.000 3.991 3.740 4.285 . 0 0 "[ . 1 . 2]" 1
388 1 25 THR H 1 39 ILE MG . . 5.500 4.446 4.247 4.723 . 0 0 "[ . 1 . 2]" 1
389 1 25 THR H 1 40 THR HA . . 5.060 4.537 4.293 4.846 . 0 0 "[ . 1 . 2]" 1
390 1 25 THR HA 1 25 THR HB . . 2.840 2.511 2.483 2.567 . 0 0 "[ . 1 . 2]" 1
391 1 25 THR HA 1 26 TYR QD . . 4.550 3.780 3.439 4.119 . 0 0 "[ . 1 . 2]" 1
392 1 25 THR HA 1 62 MET QG . . 3.810 3.330 2.804 3.834 0.024 2 0 "[ . 1 . 2]" 1
393 1 25 THR HB 1 26 TYR H . . 3.840 3.849 3.795 3.881 0.041 1 0 "[ . 1 . 2]" 1
394 1 25 THR HB 1 39 ILE HB . . 5.500 4.524 4.383 4.670 . 0 0 "[ . 1 . 2]" 1
395 1 25 THR HB 1 39 ILE QG . . 4.690 4.764 4.711 4.795 0.105 4 0 "[ . 1 . 2]" 1
396 1 25 THR MG 1 26 TYR H . . 4.300 3.270 3.034 3.446 . 0 0 "[ . 1 . 2]" 1
397 1 25 THR MG 1 26 TYR HA . . 5.500 3.509 3.368 3.664 . 0 0 "[ . 1 . 2]" 1
398 1 25 THR MG 1 39 ILE H . . 4.540 3.090 2.817 3.295 . 0 0 "[ . 1 . 2]" 1
399 1 25 THR MG 1 39 ILE HA . . 5.300 4.483 4.278 4.711 . 0 0 "[ . 1 . 2]" 1
400 1 25 THR MG 1 39 ILE HB . . 3.810 2.085 1.907 2.326 . 0 0 "[ . 1 . 2]" 1
401 1 26 TYR H 1 26 TYR QD . . 4.140 3.012 2.787 3.281 . 0 0 "[ . 1 . 2]" 1
402 1 26 TYR H 1 36 VAL QG . . 5.440 5.201 4.992 5.455 0.015 10 0 "[ . 1 . 2]" 1
403 1 26 TYR HA 1 26 TYR QD . . 4.520 3.706 3.691 3.722 . 0 0 "[ . 1 . 2]" 1
404 1 26 TYR HA 1 27 THR H . . 3.480 2.301 2.246 2.346 . 0 0 "[ . 1 . 2]" 1
405 1 26 TYR HA 1 27 THR MG . . 5.480 5.140 3.549 5.433 . 0 0 "[ . 1 . 2]" 1
406 1 26 TYR HA 1 37 ILE HB . . 5.500 4.749 4.393 5.088 . 0 0 "[ . 1 . 2]" 1
407 1 26 TYR HA 1 38 PHE HA . . 4.440 2.172 2.018 2.414 . 0 0 "[ . 1 . 2]" 1
408 1 26 TYR HA 1 38 PHE QD . . 4.820 3.380 3.100 3.713 . 0 0 "[ . 1 . 2]" 1
409 1 26 TYR HA 1 39 ILE H . . 4.740 3.037 2.777 3.288 . 0 0 "[ . 1 . 2]" 1
410 1 26 TYR HA 1 39 ILE MD . . 5.500 4.473 4.303 4.762 . 0 0 "[ . 1 . 2]" 1
411 1 26 TYR QB 1 28 ILE QG . . 4.100 3.793 3.665 3.955 . 0 0 "[ . 1 . 2]" 1
412 1 26 TYR QB 1 36 VAL QG . . 3.860 2.102 1.939 2.318 . 0 0 "[ . 1 . 2]" 1
413 1 26 TYR QB 1 38 PHE HA . . 4.750 3.051 2.927 3.253 . 0 0 "[ . 1 . 2]" 1
414 1 26 TYR QB 1 38 PHE QD . . 3.730 2.323 2.199 2.453 . 0 0 "[ . 1 . 2]" 1
415 1 26 TYR QB 1 38 PHE QE . . 4.260 2.211 1.963 2.357 . 0 0 "[ . 1 . 2]" 1
416 1 26 TYR QB 1 38 PHE HZ . . 3.380 3.551 3.492 3.603 0.223 15 0 "[ . 1 . 2]" 1
417 1 26 TYR QB 1 59 VAL QG . . 4.270 2.740 2.526 2.883 . 0 0 "[ . 1 . 2]" 1
418 1 26 TYR HB2 1 27 THR H . . 3.950 2.525 2.388 2.703 . 0 0 "[ . 1 . 2]" 1
419 1 26 TYR HB2 1 38 PHE HA . . 5.500 3.499 3.355 3.732 . 0 0 "[ . 1 . 2]" 1
420 1 26 TYR HB2 1 38 PHE QD . . 4.480 3.509 3.274 3.695 . 0 0 "[ . 1 . 2]" 1
421 1 26 TYR HB3 1 27 THR H . . 3.950 3.832 3.732 3.922 . 0 0 "[ . 1 . 2]" 1
422 1 26 TYR HB3 1 38 PHE HA . . 5.500 3.365 3.209 3.687 . 0 0 "[ . 1 . 2]" 1
423 1 26 TYR HB3 1 38 PHE QD . . 4.480 2.358 2.225 2.490 . 0 0 "[ . 1 . 2]" 1
424 1 26 TYR QD 1 27 THR H . . 4.090 3.014 2.911 3.171 . 0 0 "[ . 1 . 2]" 1
425 1 26 TYR QD 1 27 THR HA . . 3.890 3.069 2.878 3.334 . 0 0 "[ . 1 . 2]" 1
426 1 26 TYR QD 1 28 ILE HB . . 4.830 4.398 4.183 4.653 . 0 0 "[ . 1 . 2]" 1
427 1 26 TYR QD 1 28 ILE MD . . 3.850 3.558 3.408 3.690 . 0 0 "[ . 1 . 2]" 1
428 1 26 TYR QD 1 28 ILE HG12 . . 4.500 3.302 3.143 3.414 . 0 0 "[ . 1 . 2]" 1
429 1 26 TYR QD 1 28 ILE QG . . 3.680 2.184 2.058 2.327 . 0 0 "[ . 1 . 2]" 1
430 1 26 TYR QD 1 28 ILE HG13 . . 4.500 2.217 2.080 2.369 . 0 0 "[ . 1 . 2]" 1
431 1 26 TYR QD 1 36 VAL MG1 . . 4.790 3.751 2.526 4.875 0.085 11 0 "[ . 1 . 2]" 1
432 1 26 TYR QD 1 36 VAL QG . . 3.520 2.468 2.223 2.831 . 0 0 "[ . 1 . 2]" 1
433 1 26 TYR QD 1 36 VAL MG2 . . 4.790 3.373 2.226 4.569 . 0 0 "[ . 1 . 2]" 1
434 1 26 TYR QD 1 37 ILE H . . 5.500 4.572 4.401 4.712 . 0 0 "[ . 1 . 2]" 1
435 1 26 TYR QD 1 38 PHE HA . . 5.500 4.994 4.859 5.192 . 0 0 "[ . 1 . 2]" 1
436 1 26 TYR QD 1 38 PHE QD . . 4.370 3.935 3.689 4.245 . 0 0 "[ . 1 . 2]" 1
437 1 26 TYR QD 1 59 VAL HA . . 4.450 2.936 2.596 3.314 . 0 0 "[ . 1 . 2]" 1
438 1 26 TYR QD 1 59 VAL QG . . 3.890 2.697 2.523 2.829 . 0 0 "[ . 1 . 2]" 1
439 1 26 TYR QD 1 62 MET QB . . 3.740 2.426 2.088 2.948 . 0 0 "[ . 1 . 2]" 1
440 1 26 TYR QD 1 62 MET HG2 . . 5.210 3.789 3.381 4.369 . 0 0 "[ . 1 . 2]" 1
441 1 26 TYR QD 1 62 MET HG3 . . 5.210 2.909 2.420 3.750 . 0 0 "[ . 1 . 2]" 1
442 1 26 TYR QE 1 27 THR H . . 5.030 5.170 5.134 5.248 0.218 14 0 "[ . 1 . 2]" 1
443 1 26 TYR QE 1 27 THR HA . . 4.310 4.198 4.032 4.336 0.026 11 0 "[ . 1 . 2]" 1
444 1 26 TYR QE 1 28 ILE H . . 4.750 3.576 3.330 4.121 . 0 0 "[ . 1 . 2]" 1
445 1 26 TYR QE 1 28 ILE HB . . 4.590 3.894 3.515 4.453 . 0 0 "[ . 1 . 2]" 1
446 1 26 TYR QE 1 28 ILE MD . . 3.480 2.673 2.558 2.996 . 0 0 "[ . 1 . 2]" 1
447 1 26 TYR QE 1 28 ILE HG12 . . 4.250 3.806 3.638 4.238 . 0 0 "[ . 1 . 2]" 1
448 1 26 TYR QE 1 28 ILE QG . . 3.460 2.221 2.060 2.702 . 0 0 "[ . 1 . 2]" 1
449 1 26 TYR QE 1 28 ILE HG13 . . 4.250 2.237 2.071 2.734 . 0 0 "[ . 1 . 2]" 1
450 1 26 TYR QE 1 36 VAL QG . . 4.510 3.813 3.661 4.119 . 0 0 "[ . 1 . 2]" 1
451 1 26 TYR QE 1 59 VAL HA . . 4.310 3.376 3.065 3.751 . 0 0 "[ . 1 . 2]" 1
452 1 26 TYR QE 1 59 VAL MG1 . . 4.190 4.384 4.347 4.440 0.250 15 0 "[ . 1 . 2]" 1
453 1 26 TYR QE 1 59 VAL QG . . 3.340 2.754 2.662 2.829 . 0 0 "[ . 1 . 2]" 1
454 1 26 TYR QE 1 59 VAL MG2 . . 4.190 2.783 2.685 2.865 . 0 0 "[ . 1 . 2]" 1
455 1 26 TYR QE 1 62 MET QB . . 3.560 2.172 1.891 2.837 . 0 0 "[ . 1 . 2]" 1
456 1 26 TYR QE 1 62 MET HG2 . . 5.130 4.502 4.153 4.989 . 0 0 "[ . 1 . 2]" 1
457 1 26 TYR QE 1 62 MET HG3 . . 5.130 4.233 3.703 4.901 . 0 0 "[ . 1 . 2]" 1
458 1 26 TYR QE 1 63 ASP QB . . 4.130 3.132 2.596 3.665 . 0 0 "[ . 1 . 2]" 1
459 1 27 THR H 1 27 THR MG . . 4.010 3.762 2.392 3.942 . 0 0 "[ . 1 . 2]" 1
460 1 27 THR H 1 28 ILE HG12 . . 5.470 5.015 4.804 5.172 . 0 0 "[ . 1 . 2]" 1
461 1 27 THR H 1 28 ILE QG . . 4.750 4.238 4.109 4.384 . 0 0 "[ . 1 . 2]" 1
462 1 27 THR H 1 28 ILE HG13 . . 5.470 4.571 4.450 4.741 . 0 0 "[ . 1 . 2]" 1
463 1 27 THR H 1 36 VAL MG1 . . 5.500 4.205 3.001 5.350 . 0 0 "[ . 1 . 2]" 1
464 1 27 THR H 1 36 VAL QG . . 4.450 3.043 2.701 3.328 . 0 0 "[ . 1 . 2]" 1
465 1 27 THR H 1 36 VAL MG2 . . 5.500 4.153 2.712 5.504 0.004 6 0 "[ . 1 . 2]" 1
466 1 27 THR H 1 37 ILE H . . 4.180 2.817 2.651 2.994 . 0 0 "[ . 1 . 2]" 1
467 1 27 THR H 1 37 ILE HB . . 4.160 3.311 2.892 3.558 . 0 0 "[ . 1 . 2]" 1
468 1 27 THR H 1 37 ILE QG . . 5.200 4.649 4.280 4.914 . 0 0 "[ . 1 . 2]" 1
469 1 27 THR H 1 37 ILE MG . . 4.660 4.167 3.965 4.483 . 0 0 "[ . 1 . 2]" 1
470 1 27 THR H 1 38 PHE HA . . 5.010 3.682 3.473 3.982 . 0 0 "[ . 1 . 2]" 1
471 1 27 THR H 1 38 PHE QD . . 5.410 4.916 4.754 5.127 . 0 0 "[ . 1 . 2]" 1
472 1 27 THR HA 1 27 THR MG . . 3.690 2.387 2.248 3.239 . 0 0 "[ . 1 . 2]" 1
473 1 27 THR HA 1 37 ILE H . . 5.020 4.682 4.533 4.802 . 0 0 "[ . 1 . 2]" 1
474 1 27 THR HB 1 28 ILE H . . 4.100 4.101 3.413 4.188 0.088 19 0 "[ . 1 . 2]" 1
475 1 27 THR HB 1 29 THR MG . . 4.770 3.558 2.634 4.802 0.032 9 0 "[ . 1 . 2]" 1
476 1 27 THR HB 1 37 ILE H . . 5.270 3.601 3.035 5.051 . 0 0 "[ . 1 . 2]" 1
477 1 27 THR HB 1 37 ILE HB . . 4.650 2.613 2.087 4.467 . 0 0 "[ . 1 . 2]" 1
478 1 27 THR HB 1 37 ILE MG . . 5.280 3.878 3.438 5.287 0.007 9 0 "[ . 1 . 2]" 1
479 1 27 THR MG 1 28 ILE H . . 4.350 3.077 2.738 4.147 . 0 0 "[ . 1 . 2]" 1
480 1 27 THR MG 1 28 ILE HA . . 5.250 4.161 3.923 5.367 0.117 13 0 "[ . 1 . 2]" 1
481 1 27 THR MG 1 37 ILE H . . 4.810 4.271 2.631 4.832 0.022 13 0 "[ . 1 . 2]" 1
482 1 27 THR MG 1 37 ILE HB . . 3.950 3.748 1.861 3.982 0.032 16 0 "[ . 1 . 2]" 1
483 1 28 ILE H 1 28 ILE HB . . 3.790 2.573 2.538 2.645 . 0 0 "[ . 1 . 2]" 1
484 1 28 ILE H 1 28 ILE MD . . 4.950 3.897 3.831 3.964 . 0 0 "[ . 1 . 2]" 1
485 1 28 ILE H 1 28 ILE HG12 . . 4.650 3.732 3.675 3.847 . 0 0 "[ . 1 . 2]" 1
486 1 28 ILE H 1 28 ILE QG . . 4.030 2.548 2.468 2.681 . 0 0 "[ . 1 . 2]" 1
487 1 28 ILE H 1 28 ILE HG13 . . 4.650 2.594 2.508 2.735 . 0 0 "[ . 1 . 2]" 1
488 1 28 ILE H 1 28 ILE MG . . 4.710 3.832 3.806 3.871 . 0 0 "[ . 1 . 2]" 1
489 1 28 ILE HA 1 28 ILE MD . . 3.900 3.838 3.814 3.872 . 0 0 "[ . 1 . 2]" 1
490 1 28 ILE HA 1 29 THR H . . 3.150 2.140 2.065 2.200 . 0 0 "[ . 1 . 2]" 1
491 1 28 ILE HA 1 36 VAL HA . . 4.010 2.127 1.977 2.317 . 0 0 "[ . 1 . 2]" 1
492 1 28 ILE HA 1 36 VAL QG . . 4.760 2.979 2.801 3.222 . 0 0 "[ . 1 . 2]" 1
493 1 28 ILE HA 1 37 ILE H . . 4.690 3.178 2.993 3.561 . 0 0 "[ . 1 . 2]" 1
494 1 28 ILE HB 1 28 ILE MD . . 3.510 2.451 2.433 2.473 . 0 0 "[ . 1 . 2]" 1
495 1 28 ILE HB 1 29 THR H . . 4.290 4.149 4.069 4.204 . 0 0 "[ . 1 . 2]" 1
496 1 28 ILE HB 1 36 VAL HA . . 5.500 4.918 4.789 5.018 . 0 0 "[ . 1 . 2]" 1
497 1 28 ILE MD 1 28 ILE MG . . 2.400 1.912 1.883 1.948 . 0 0 "[ . 1 . 2]" 1
498 1 28 ILE MD 1 29 THR H . . 5.010 5.030 4.942 5.076 0.066 14 0 "[ . 1 . 2]" 1
499 1 28 ILE MD 1 36 VAL HA . . 4.580 4.518 4.147 4.663 0.083 17 0 "[ . 1 . 2]" 1
500 1 28 ILE MD 1 50 PRO QB . . 4.780 3.829 3.545 4.363 . 0 0 "[ . 1 . 2]" 1
501 1 28 ILE MD 1 59 VAL HB . . 5.500 4.399 4.196 4.578 . 0 0 "[ . 1 . 2]" 1
502 1 28 ILE QG 1 29 THR H . . 4.720 4.132 4.042 4.232 . 0 0 "[ . 1 . 2]" 1
503 1 28 ILE QG 1 36 VAL H . . 4.850 4.774 4.609 4.883 0.033 2 0 "[ . 1 . 2]" 1
504 1 28 ILE QG 1 36 VAL HA . . 3.440 2.932 2.557 3.092 . 0 0 "[ . 1 . 2]" 1
505 1 28 ILE QG 1 36 VAL QG . . 3.710 1.959 1.827 2.098 . 0 0 "[ . 1 . 2]" 1
506 1 28 ILE QG 1 37 ILE H . . 4.560 4.247 3.862 4.412 . 0 0 "[ . 1 . 2]" 1
507 1 28 ILE QG 1 59 VAL HB . . 4.790 4.861 4.793 4.948 0.158 3 0 "[ . 1 . 2]" 1
508 1 28 ILE HG12 1 28 ILE MG . . 3.290 2.433 2.396 2.459 . 0 0 "[ . 1 . 2]" 1
509 1 28 ILE HG12 1 36 VAL HA . . 4.310 3.006 2.597 3.176 . 0 0 "[ . 1 . 2]" 1
510 1 28 ILE HG13 1 28 ILE MG . . 3.290 3.217 3.203 3.226 . 0 0 "[ . 1 . 2]" 1
511 1 28 ILE HG13 1 36 VAL HA . . 4.310 4.082 3.829 4.274 . 0 0 "[ . 1 . 2]" 1
512 1 28 ILE MG 1 29 THR H . . 3.660 2.616 2.469 2.728 . 0 0 "[ . 1 . 2]" 1
513 1 28 ILE MG 1 36 VAL HA . . 4.480 3.417 3.195 3.660 . 0 0 "[ . 1 . 2]" 1
514 1 28 ILE MG 1 50 PRO QB . . 4.190 3.623 3.348 4.198 0.008 11 0 "[ . 1 . 2]" 1
515 1 29 THR H 1 29 THR MG . . 3.350 2.882 2.660 3.039 . 0 0 "[ . 1 . 2]" 1
516 1 29 THR H 1 34 ARG HA . . 4.370 4.188 3.803 4.449 0.079 19 0 "[ . 1 . 2]" 1
517 1 29 THR H 1 34 ARG QG . . 5.140 4.857 3.585 5.299 0.159 6 0 "[ . 1 . 2]" 1
518 1 29 THR H 1 35 ALA H . . 4.110 2.860 2.543 3.134 . 0 0 "[ . 1 . 2]" 1
519 1 29 THR H 1 36 VAL QG . . 5.160 4.285 3.964 4.615 . 0 0 "[ . 1 . 2]" 1
520 1 29 THR H 1 37 ILE H . . 5.320 4.160 3.859 4.602 . 0 0 "[ . 1 . 2]" 1
521 1 29 THR HB 1 30 GLU H . . 4.410 3.078 2.671 3.414 . 0 0 "[ . 1 . 2]" 1
522 1 29 THR HB 1 31 GLY H . . 5.500 5.523 5.364 5.594 0.094 9 0 "[ . 1 . 2]" 1
523 1 29 THR MG 1 37 ILE HB . . 4.800 3.913 3.308 4.804 0.004 9 0 "[ . 1 . 2]" 1
524 1 30 GLU H 1 30 GLU QG . . 4.960 2.753 2.199 4.332 . 0 0 "[ . 1 . 2]" 1
525 1 30 GLU QB 1 31 GLY H . . 4.290 2.960 2.350 3.756 . 0 0 "[ . 1 . 2]" 1
526 1 30 GLU HB2 1 31 GLY H . . 4.970 3.525 2.620 4.337 . 0 0 "[ . 1 . 2]" 1
527 1 30 GLU HB3 1 31 GLY H . . 4.970 3.520 2.389 4.115 . 0 0 "[ . 1 . 2]" 1
528 1 31 GLY H 1 32 SER H . . 3.580 3.200 2.018 3.696 0.116 1 0 "[ . 1 . 2]" 1
529 1 32 SER H 1 33 LEU H . . 5.270 2.745 1.929 4.114 . 0 0 "[ . 1 . 2]" 1
530 1 32 SER QB 1 33 LEU H . . 4.600 2.933 2.204 3.985 . 0 0 "[ . 1 . 2]" 1
531 1 32 SER QB 1 33 LEU QB . . 5.340 3.666 3.280 4.305 . 0 0 "[ . 1 . 2]" 1
532 1 33 LEU H 1 33 LEU MD1 . . 5.500 4.271 3.296 4.698 . 0 0 "[ . 1 . 2]" 1
533 1 33 LEU H 1 33 LEU MD2 . . 5.500 4.044 1.812 4.982 . 0 0 "[ . 1 . 2]" 1
534 1 33 LEU H 1 33 LEU HG . . 4.890 4.335 2.555 5.022 0.132 14 0 "[ . 1 . 2]" 1
535 1 33 LEU H 1 34 ARG H . . 5.130 4.031 3.235 4.422 . 0 0 "[ . 1 . 2]" 1
536 1 33 LEU HA 1 33 LEU MD1 . . 4.300 3.086 2.102 4.115 . 0 0 "[ . 1 . 2]" 1
537 1 33 LEU HA 1 33 LEU QD . . 3.130 2.376 2.029 3.310 0.180 12 0 "[ . 1 . 2]" 1
538 1 33 LEU HA 1 33 LEU MD2 . . 4.300 3.077 2.052 3.954 . 0 0 "[ . 1 . 2]" 1
539 1 33 LEU HA 1 33 LEU HG . . 4.040 3.189 2.656 3.867 . 0 0 "[ . 1 . 2]" 1
540 1 33 LEU HA 1 34 ARG H . . 3.460 2.209 2.112 2.380 . 0 0 "[ . 1 . 2]" 1
541 1 33 LEU QB 1 33 LEU HG . . 2.290 2.287 2.106 2.343 0.053 1 0 "[ . 1 . 2]" 1
542 1 33 LEU HB2 1 33 LEU HG . . 2.910 2.603 2.314 2.974 0.064 18 0 "[ . 1 . 2]" 1
543 1 33 LEU HB3 1 33 LEU HG . . 2.910 2.684 2.408 2.996 0.086 17 0 "[ . 1 . 2]" 1
544 1 33 LEU QD 1 34 ARG H . . 4.110 2.894 2.097 3.807 . 0 0 "[ . 1 . 2]" 1
545 1 34 ARG H 1 34 ARG QB . . 3.840 2.452 2.247 2.894 . 0 0 "[ . 1 . 2]" 1
546 1 34 ARG H 1 34 ARG QD . . 5.150 4.059 2.304 4.745 . 0 0 "[ . 1 . 2]" 1
547 1 34 ARG H 1 34 ARG HG2 . . 5.030 3.845 2.171 4.724 . 0 0 "[ . 1 . 2]" 1
548 1 34 ARG H 1 34 ARG QG . . 4.390 3.170 2.142 4.113 . 0 0 "[ . 1 . 2]" 1
549 1 34 ARG H 1 34 ARG HG3 . . 5.030 3.594 2.471 4.652 . 0 0 "[ . 1 . 2]" 1
550 1 34 ARG HA 1 34 ARG QD . . 4.350 3.766 1.975 4.458 0.108 6 0 "[ . 1 . 2]" 1
551 1 34 ARG HA 1 35 ALA MB . . 4.800 3.927 3.814 4.058 . 0 0 "[ . 1 . 2]" 1
552 1 34 ARG QB 1 34 ARG HG2 . . 2.550 2.293 2.151 2.411 . 0 0 "[ . 1 . 2]" 1
553 1 34 ARG QB 1 34 ARG QG . . 2.200 2.057 1.993 2.094 . 0 0 "[ . 1 . 2]" 1
554 1 34 ARG QB 1 34 ARG HG3 . . 2.550 2.336 2.172 2.399 . 0 0 "[ . 1 . 2]" 1
555 1 34 ARG QB 1 35 ALA H . . 4.680 3.480 2.961 3.896 . 0 0 "[ . 1 . 2]" 1
556 1 35 ALA HA 1 36 VAL QG . . 4.850 3.533 3.348 3.720 . 0 0 "[ . 1 . 2]" 1
557 1 35 ALA HA 1 50 PRO QB . . 5.320 4.424 4.052 5.071 . 0 0 "[ . 1 . 2]" 1
558 1 35 ALA HA 1 50 PRO QG . . 4.520 3.226 2.390 3.839 . 0 0 "[ . 1 . 2]" 1
559 1 35 ALA MB 1 36 VAL H . . 3.530 2.883 2.526 3.056 . 0 0 "[ . 1 . 2]" 1
560 1 35 ALA MB 1 36 VAL QG . . 4.040 4.055 3.959 4.136 0.096 10 0 "[ . 1 . 2]" 1
561 1 35 ALA MB 1 47 CYS HA . . 4.590 4.140 3.738 4.567 . 0 0 "[ . 1 . 2]" 1
562 1 35 ALA MB 1 47 CYS HB2 . . 4.990 4.115 2.615 5.008 0.018 8 0 "[ . 1 . 2]" 1
563 1 35 ALA MB 1 47 CYS QB . . 4.310 3.032 2.402 3.963 . 0 0 "[ . 1 . 2]" 1
564 1 35 ALA MB 1 47 CYS HB3 . . 4.990 3.383 2.427 4.564 . 0 0 "[ . 1 . 2]" 1
565 1 35 ALA MB 1 48 ALA H . . 4.740 3.756 3.334 4.447 . 0 0 "[ . 1 . 2]" 1
566 1 35 ALA MB 1 50 PRO QD . . 3.940 3.729 3.355 3.993 0.053 9 0 "[ . 1 . 2]" 1
567 1 36 VAL H 1 36 VAL QG . . 3.910 2.108 1.958 2.437 . 0 0 "[ . 1 . 2]" 1
568 1 36 VAL H 1 48 ALA H . . 5.140 3.368 3.059 3.794 . 0 0 "[ . 1 . 2]" 1
569 1 36 VAL H 1 48 ALA MB . . 4.910 4.071 3.787 4.411 . 0 0 "[ . 1 . 2]" 1
570 1 36 VAL H 1 55 VAL QG . . 5.440 4.099 3.859 4.342 . 0 0 "[ . 1 . 2]" 1
571 1 36 VAL H 1 59 VAL QG . . 5.440 5.504 5.471 5.552 0.112 3 0 "[ . 1 . 2]" 1
572 1 36 VAL HA 1 37 ILE H . . 3.380 2.090 1.980 2.170 . 0 0 "[ . 1 . 2]" 1
573 1 36 VAL HA 1 37 ILE HB . . 5.320 4.547 4.350 4.685 . 0 0 "[ . 1 . 2]" 1
574 1 36 VAL HB 1 50 PRO HA . . 4.210 4.012 3.618 4.253 0.043 11 0 "[ . 1 . 2]" 1
575 1 36 VAL QG 1 37 ILE H . . 3.950 2.874 2.729 2.975 . 0 0 "[ . 1 . 2]" 1
576 1 36 VAL QG 1 38 PHE H . . 5.440 3.953 3.707 4.153 . 0 0 "[ . 1 . 2]" 1
577 1 36 VAL QG 1 38 PHE QD . . 4.440 3.101 2.861 3.353 . 0 0 "[ . 1 . 2]" 1
578 1 36 VAL QG 1 38 PHE QE . . 4.620 2.349 1.914 2.773 . 0 0 "[ . 1 . 2]" 1
579 1 36 VAL QG 1 48 ALA MB . . 4.340 2.775 2.123 3.422 . 0 0 "[ . 1 . 2]" 1
580 1 36 VAL QG 1 50 PRO HA . . 3.580 2.311 1.970 2.689 . 0 0 "[ . 1 . 2]" 1
581 1 36 VAL QG 1 50 PRO QB . . 3.400 2.475 1.939 3.348 . 0 0 "[ . 1 . 2]" 1
582 1 36 VAL QG 1 50 PRO QD . . 4.390 2.690 2.306 3.067 . 0 0 "[ . 1 . 2]" 1
583 1 36 VAL QG 1 50 PRO QG . . 4.180 3.038 2.039 3.880 . 0 0 "[ . 1 . 2]" 1
584 1 36 VAL QG 1 55 VAL HB . . 3.890 3.968 3.910 4.021 0.131 13 0 "[ . 1 . 2]" 1
585 1 36 VAL QG 1 55 VAL QG . . 3.020 1.878 1.744 2.061 . 0 0 "[ . 1 . 2]" 1
586 1 36 VAL QG 1 59 VAL QG . . 2.940 1.980 1.910 2.062 . 0 0 "[ . 1 . 2]" 1
587 1 36 VAL MG1 1 37 ILE H . . 4.840 3.550 2.951 4.125 . 0 0 "[ . 1 . 2]" 1
588 1 36 VAL MG1 1 38 PHE HZ . . 4.370 2.924 2.531 3.366 . 0 0 "[ . 1 . 2]" 1
589 1 36 VAL MG2 1 37 ILE H . . 4.840 3.561 2.772 4.316 . 0 0 "[ . 1 . 2]" 1
590 1 36 VAL MG2 1 38 PHE HZ . . 4.370 3.520 2.708 4.372 0.002 12 0 "[ . 1 . 2]" 1
591 1 37 ILE H 1 37 ILE HB . . 3.940 2.504 2.426 2.565 . 0 0 "[ . 1 . 2]" 1
592 1 37 ILE H 1 37 ILE MD . . 4.450 3.823 3.617 4.001 . 0 0 "[ . 1 . 2]" 1
593 1 37 ILE H 1 37 ILE HG12 . . 4.650 3.648 3.418 3.774 . 0 0 "[ . 1 . 2]" 1
594 1 37 ILE H 1 37 ILE QG . . 3.860 2.448 2.157 2.641 . 0 0 "[ . 1 . 2]" 1
595 1 37 ILE H 1 37 ILE HG13 . . 4.650 2.488 2.180 2.696 . 0 0 "[ . 1 . 2]" 1
596 1 37 ILE H 1 37 ILE MG . . 4.440 3.790 3.752 3.824 . 0 0 "[ . 1 . 2]" 1
597 1 37 ILE H 1 38 PHE H . . 4.760 4.278 4.186 4.395 . 0 0 "[ . 1 . 2]" 1
598 1 37 ILE H 1 59 VAL QG . . 5.440 5.382 5.023 5.509 0.069 3 0 "[ . 1 . 2]" 1
599 1 37 ILE HA 1 37 ILE MD . . 4.070 3.828 3.799 3.843 . 0 0 "[ . 1 . 2]" 1
600 1 37 ILE HA 1 37 ILE QG . . 3.320 2.412 2.348 2.485 . 0 0 "[ . 1 . 2]" 1
601 1 37 ILE HA 1 47 CYS HA . . 3.780 2.122 1.967 2.284 . 0 0 "[ . 1 . 2]" 1
602 1 37 ILE HA 1 47 CYS HB2 . . 5.170 4.727 3.607 5.197 0.027 7 0 "[ . 1 . 2]" 1
603 1 37 ILE HA 1 47 CYS QB . . 4.470 3.773 3.128 4.066 . 0 0 "[ . 1 . 2]" 1
604 1 37 ILE HA 1 47 CYS HB3 . . 5.170 4.016 3.374 4.713 . 0 0 "[ . 1 . 2]" 1
605 1 37 ILE HA 1 48 ALA MB . . 4.360 4.383 4.244 4.429 0.069 2 0 "[ . 1 . 2]" 1
606 1 37 ILE HB 1 37 ILE MD . . 3.480 2.459 2.393 2.521 . 0 0 "[ . 1 . 2]" 1
607 1 37 ILE HB 1 38 PHE H . . 5.340 4.261 4.165 4.358 . 0 0 "[ . 1 . 2]" 1
608 1 37 ILE MD 1 45 LYS QE . . 4.510 4.167 3.347 4.590 0.080 13 0 "[ . 1 . 2]" 1
609 1 37 ILE MD 1 47 CYS HA . . 4.500 4.496 4.213 4.587 0.087 14 0 "[ . 1 . 2]" 1
610 1 37 ILE QG 1 38 PHE H . . 4.480 4.162 4.068 4.311 . 0 0 "[ . 1 . 2]" 1
611 1 37 ILE HG12 1 37 ILE MG . . 3.270 2.416 2.322 2.471 . 0 0 "[ . 1 . 2]" 1
612 1 37 ILE HG12 1 38 PHE H . . 5.220 4.434 4.308 4.644 . 0 0 "[ . 1 . 2]" 1
613 1 37 ILE HG12 1 47 CYS HA . . 5.140 3.011 2.637 3.272 . 0 0 "[ . 1 . 2]" 1
614 1 37 ILE HG13 1 37 ILE MG . . 3.270 3.211 3.177 3.223 . 0 0 "[ . 1 . 2]" 1
615 1 37 ILE HG13 1 38 PHE H . . 5.220 5.045 4.993 5.119 . 0 0 "[ . 1 . 2]" 1
616 1 37 ILE HG13 1 47 CYS HA . . 5.140 4.195 3.860 4.466 . 0 0 "[ . 1 . 2]" 1
617 1 37 ILE MG 1 38 PHE H . . 4.030 2.927 2.680 3.047 . 0 0 "[ . 1 . 2]" 1
618 1 37 ILE MG 1 38 PHE HA . . 5.330 3.895 3.618 4.235 . 0 0 "[ . 1 . 2]" 1
619 1 37 ILE MG 1 45 LYS QE . . 4.050 3.506 2.570 4.090 0.040 13 0 "[ . 1 . 2]" 1
620 1 37 ILE MG 1 45 LYS QG . . 3.830 3.310 2.492 3.880 0.050 17 0 "[ . 1 . 2]" 1
621 1 37 ILE MG 1 46 VAL H . . 4.320 3.099 2.701 3.348 . 0 0 "[ . 1 . 2]" 1
622 1 37 ILE MG 1 47 CYS H . . 5.420 4.523 4.182 4.777 . 0 0 "[ . 1 . 2]" 1
623 1 37 ILE MG 1 47 CYS HA . . 4.770 3.242 2.828 3.538 . 0 0 "[ . 1 . 2]" 1
624 1 38 PHE H 1 38 PHE QB . . 3.710 2.395 2.324 2.463 . 0 0 "[ . 1 . 2]" 1
625 1 38 PHE H 1 38 PHE QD . . 4.810 2.981 2.669 3.390 . 0 0 "[ . 1 . 2]" 1
626 1 38 PHE H 1 39 ILE H . . 5.500 4.348 4.241 4.427 . 0 0 "[ . 1 . 2]" 1
627 1 38 PHE H 1 46 VAL H . . 3.570 3.472 3.301 3.605 0.035 17 0 "[ . 1 . 2]" 1
628 1 38 PHE H 1 46 VAL HB . . 4.780 3.382 3.121 3.695 . 0 0 "[ . 1 . 2]" 1
629 1 38 PHE H 1 46 VAL QG . . 4.970 3.773 3.524 3.989 . 0 0 "[ . 1 . 2]" 1
630 1 38 PHE H 1 47 CYS HA . . 4.680 3.045 2.785 3.234 . 0 0 "[ . 1 . 2]" 1
631 1 38 PHE H 1 47 CYS QB . . 5.340 4.913 4.428 5.128 . 0 0 "[ . 1 . 2]" 1
632 1 38 PHE H 1 48 ALA MB . . 5.180 4.027 3.817 4.211 . 0 0 "[ . 1 . 2]" 1
633 1 38 PHE HA 1 38 PHE QD . . 3.750 2.632 2.290 2.841 . 0 0 "[ . 1 . 2]" 1
634 1 38 PHE HA 1 38 PHE QE . . 4.880 4.425 4.289 4.525 . 0 0 "[ . 1 . 2]" 1
635 1 38 PHE HA 1 39 ILE H . . 3.350 2.070 2.033 2.129 . 0 0 "[ . 1 . 2]" 1
636 1 38 PHE HA 1 39 ILE MD . . 5.500 3.922 3.827 4.078 . 0 0 "[ . 1 . 2]" 1
637 1 38 PHE QB 1 39 ILE H . . 3.930 3.021 2.749 3.192 . 0 0 "[ . 1 . 2]" 1
638 1 38 PHE QB 1 46 VAL H . . 4.660 3.884 3.649 4.151 . 0 0 "[ . 1 . 2]" 1
639 1 38 PHE QB 1 46 VAL HB . . 3.640 2.604 2.177 3.051 . 0 0 "[ . 1 . 2]" 1
640 1 38 PHE QB 1 46 VAL QG . . 4.890 3.201 2.817 3.505 . 0 0 "[ . 1 . 2]" 1
641 1 38 PHE QB 1 48 ALA MB . . 5.010 3.710 3.491 4.007 . 0 0 "[ . 1 . 2]" 1
642 1 38 PHE QD 1 39 ILE H . . 4.480 3.589 3.315 3.802 . 0 0 "[ . 1 . 2]" 1
643 1 38 PHE QD 1 46 VAL HB . . 4.700 4.214 3.813 4.704 0.004 9 0 "[ . 1 . 2]" 1
644 1 38 PHE QD 1 46 VAL QG . . 4.380 3.842 3.373 4.273 . 0 0 "[ . 1 . 2]" 1
645 1 38 PHE QD 1 48 ALA MB . . 3.890 2.194 2.060 2.424 . 0 0 "[ . 1 . 2]" 1
646 1 38 PHE QD 1 55 VAL MG1 . . 4.410 3.935 3.820 4.042 . 0 0 "[ . 1 . 2]" 1
647 1 38 PHE QD 1 55 VAL QG . . 3.790 3.407 3.156 3.571 . 0 0 "[ . 1 . 2]" 1
648 1 38 PHE QD 1 55 VAL MG2 . . 4.410 3.758 3.342 4.198 . 0 0 "[ . 1 . 2]" 1
649 1 38 PHE QD 1 59 VAL QG . . 5.440 4.513 4.368 4.672 . 0 0 "[ . 1 . 2]" 1
650 1 38 PHE QE 1 48 ALA MB . . 3.850 2.248 1.991 2.451 . 0 0 "[ . 1 . 2]" 1
651 1 38 PHE QE 1 55 VAL HA . . 4.340 3.398 2.816 3.913 . 0 0 "[ . 1 . 2]" 1
652 1 38 PHE QE 1 55 VAL MG1 . . 4.090 1.882 1.835 1.952 . 0 0 "[ . 1 . 2]" 1
653 1 38 PHE QE 1 55 VAL MG2 . . 4.090 2.423 1.951 3.021 . 0 0 "[ . 1 . 2]" 1
654 1 38 PHE QE 1 58 CYS HB2 . . 5.340 3.817 3.268 4.908 . 0 0 "[ . 1 . 2]" 1
655 1 38 PHE QE 1 58 CYS HB3 . . 5.340 3.536 3.245 3.804 . 0 0 "[ . 1 . 2]" 1
656 1 38 PHE HZ 1 48 ALA MB . . 4.620 4.433 4.177 4.633 0.013 8 0 "[ . 1 . 2]" 1
657 1 38 PHE HZ 1 55 VAL HA . . 3.910 3.348 2.828 3.758 . 0 0 "[ . 1 . 2]" 1
658 1 38 PHE HZ 1 55 VAL MG1 . . 4.170 2.284 2.072 2.558 . 0 0 "[ . 1 . 2]" 1
659 1 38 PHE HZ 1 55 VAL QG . . 3.090 2.268 2.060 2.530 . 0 0 "[ . 1 . 2]" 1
660 1 38 PHE HZ 1 55 VAL MG2 . . 4.170 3.907 3.582 4.187 0.017 11 0 "[ . 1 . 2]" 1
661 1 38 PHE HZ 1 58 CYS H . . 5.180 4.677 4.217 4.967 . 0 0 "[ . 1 . 2]" 1
662 1 38 PHE HZ 1 58 CYS HB2 . . 4.660 3.662 2.896 4.721 0.061 20 0 "[ . 1 . 2]" 1
663 1 38 PHE HZ 1 58 CYS QB . . 3.840 3.251 2.818 3.567 . 0 0 "[ . 1 . 2]" 1
664 1 38 PHE HZ 1 58 CYS HB3 . . 4.660 4.141 2.982 4.672 0.012 9 0 "[ . 1 . 2]" 1
665 1 38 PHE HZ 1 59 VAL H . . 5.090 2.950 2.551 3.176 . 0 0 "[ . 1 . 2]" 1
666 1 38 PHE HZ 1 59 VAL HB . . 5.050 1.988 1.846 2.160 . 0 0 "[ . 1 . 2]" 1
667 1 38 PHE HZ 1 59 VAL QG . . 3.980 2.816 2.569 3.024 . 0 0 "[ . 1 . 2]" 1
668 1 39 ILE H 1 39 ILE HB . . 3.610 2.720 2.633 2.772 . 0 0 "[ . 1 . 2]" 1
669 1 39 ILE H 1 39 ILE MD . . 4.620 3.224 3.093 3.374 . 0 0 "[ . 1 . 2]" 1
670 1 39 ILE H 1 39 ILE HG12 . . 4.180 2.324 2.204 2.508 . 0 0 "[ . 1 . 2]" 1
671 1 39 ILE H 1 39 ILE QG . . 3.670 2.304 2.189 2.482 . 0 0 "[ . 1 . 2]" 1
672 1 39 ILE H 1 39 ILE HG13 . . 4.180 3.806 3.721 3.960 . 0 0 "[ . 1 . 2]" 1
673 1 39 ILE H 1 39 ILE MG . . 3.830 3.808 3.760 3.842 0.012 7 0 "[ . 1 . 2]" 1
674 1 39 ILE H 1 40 THR H . . 5.500 4.322 4.232 4.449 . 0 0 "[ . 1 . 2]" 1
675 1 39 ILE HA 1 39 ILE MD . . 3.470 2.255 2.184 2.308 . 0 0 "[ . 1 . 2]" 1
676 1 39 ILE HA 1 39 ILE MG . . 3.650 2.203 2.158 2.256 . 0 0 "[ . 1 . 2]" 1
677 1 39 ILE HA 1 40 THR H . . 3.370 2.137 2.055 2.204 . 0 0 "[ . 1 . 2]" 1
678 1 39 ILE HA 1 40 THR MG . . 4.450 3.700 3.493 3.900 . 0 0 "[ . 1 . 2]" 1
679 1 39 ILE HA 1 44 LEU H . . 5.100 4.836 4.372 5.106 0.006 2 0 "[ . 1 . 2]" 1
680 1 39 ILE HA 1 44 LEU QB . . 5.310 4.960 4.517 5.238 . 0 0 "[ . 1 . 2]" 1
681 1 39 ILE HA 1 46 VAL H . . 3.710 2.962 2.769 3.218 . 0 0 "[ . 1 . 2]" 1
682 1 39 ILE HA 1 46 VAL HB . . 5.460 4.503 4.231 4.801 . 0 0 "[ . 1 . 2]" 1
683 1 39 ILE HA 1 46 VAL QG . . 4.620 3.777 3.542 3.961 . 0 0 "[ . 1 . 2]" 1
684 1 39 ILE HB 1 40 THR H . . 5.310 3.958 3.847 4.057 . 0 0 "[ . 1 . 2]" 1
685 1 39 ILE MD 1 39 ILE MG . . 2.690 1.960 1.911 2.005 . 0 0 "[ . 1 . 2]" 1
686 1 39 ILE MD 1 40 THR H . . 4.930 4.003 3.889 4.095 . 0 0 "[ . 1 . 2]" 1
687 1 39 ILE MD 1 45 LYS HA . . 4.000 2.227 2.126 2.374 . 0 0 "[ . 1 . 2]" 1
688 1 39 ILE MD 1 45 LYS HB2 . . 4.330 3.531 2.428 4.169 . 0 0 "[ . 1 . 2]" 1
689 1 39 ILE MD 1 45 LYS QB . . 3.610 2.722 1.879 3.267 . 0 0 "[ . 1 . 2]" 1
690 1 39 ILE MD 1 45 LYS HB3 . . 4.330 2.881 1.943 3.864 . 0 0 "[ . 1 . 2]" 1
691 1 39 ILE MD 1 45 LYS QE . . 4.120 3.093 2.477 3.408 . 0 0 "[ . 1 . 2]" 1
692 1 39 ILE MD 1 46 VAL H . . 4.690 3.000 2.887 3.183 . 0 0 "[ . 1 . 2]" 1
693 1 39 ILE MD 1 46 VAL HA . . 5.340 5.410 5.364 5.463 0.123 2 0 "[ . 1 . 2]" 1
694 1 39 ILE QG 1 39 ILE MG . . 3.190 2.298 2.287 2.316 . 0 0 "[ . 1 . 2]" 1
695 1 39 ILE QG 1 40 THR H . . 5.220 4.738 4.650 4.774 . 0 0 "[ . 1 . 2]" 1
696 1 39 ILE MG 1 40 THR H . . 3.970 2.594 2.409 2.742 . 0 0 "[ . 1 . 2]" 1
697 1 39 ILE MG 1 40 THR HA . . 5.190 4.205 4.055 4.354 . 0 0 "[ . 1 . 2]" 1
698 1 39 ILE MG 1 43 GLY H . . 4.130 3.355 3.081 3.573 . 0 0 "[ . 1 . 2]" 1
699 1 39 ILE MG 1 43 GLY HA2 . . 4.210 2.674 2.225 2.926 . 0 0 "[ . 1 . 2]" 1
700 1 39 ILE MG 1 43 GLY QA . . 3.580 2.638 2.205 2.877 . 0 0 "[ . 1 . 2]" 1
701 1 39 ILE MG 1 43 GLY HA3 . . 4.210 4.036 3.600 4.261 0.051 5 0 "[ . 1 . 2]" 1
702 1 39 ILE MG 1 44 LEU H . . 5.320 3.478 3.034 3.731 . 0 0 "[ . 1 . 2]" 1
703 1 39 ILE MG 1 44 LEU HA . . 5.140 3.959 3.759 4.134 . 0 0 "[ . 1 . 2]" 1
704 1 39 ILE MG 1 44 LEU QB . . 4.500 4.450 4.155 4.541 0.041 12 0 "[ . 1 . 2]" 1
705 1 39 ILE MG 1 45 LYS HA . . 4.650 2.917 2.781 3.046 . 0 0 "[ . 1 . 2]" 1
706 1 39 ILE MG 1 45 LYS HB2 . . 4.990 4.676 3.400 5.022 0.032 18 0 "[ . 1 . 2]" 1
707 1 39 ILE MG 1 45 LYS QB . . 4.380 3.891 2.770 4.401 0.021 13 0 "[ . 1 . 2]" 1
708 1 39 ILE MG 1 45 LYS HB3 . . 4.990 4.247 2.819 4.887 . 0 0 "[ . 1 . 2]" 1
709 1 39 ILE MG 1 45 LYS QE . . 4.730 4.518 3.859 4.814 0.084 16 0 "[ . 1 . 2]" 1
710 1 39 ILE MG 1 46 VAL H . . 4.180 4.291 4.256 4.326 0.146 13 0 "[ . 1 . 2]" 1
711 1 40 THR H 1 40 THR MG . . 3.500 2.231 1.894 2.538 . 0 0 "[ . 1 . 2]" 1
712 1 40 THR H 1 43 GLY H . . 4.960 3.875 3.627 4.156 . 0 0 "[ . 1 . 2]" 1
713 1 40 THR H 1 44 LEU H . . 3.980 3.329 2.858 3.736 . 0 0 "[ . 1 . 2]" 1
714 1 40 THR H 1 44 LEU QB . . 5.360 3.847 3.280 4.254 . 0 0 "[ . 1 . 2]" 1
715 1 40 THR HA 1 40 THR MG . . 3.210 2.730 2.294 3.228 0.018 14 0 "[ . 1 . 2]" 1
716 1 40 THR HA 1 41 LYS H . . 3.490 2.455 2.359 2.615 . 0 0 "[ . 1 . 2]" 1
717 1 40 THR HA 1 43 GLY H . . 4.870 4.625 4.408 4.813 . 0 0 "[ . 1 . 2]" 1
718 1 40 THR HB 1 44 LEU H . . 5.070 4.482 4.046 5.019 . 0 0 "[ . 1 . 2]" 1
719 1 40 THR MG 1 41 LYS H . . 4.290 3.504 3.135 3.673 . 0 0 "[ . 1 . 2]" 1
720 1 40 THR MG 1 42 ARG QB . . 4.340 3.119 1.936 4.376 0.036 16 0 "[ . 1 . 2]" 1
721 1 40 THR MG 1 43 GLY H . . 5.220 3.707 2.334 4.817 . 0 0 "[ . 1 . 2]" 1
722 1 40 THR MG 1 44 LEU H . . 4.340 3.183 2.031 4.352 0.012 11 0 "[ . 1 . 2]" 1
723 1 41 LYS H 1 41 LYS QB . . 3.650 2.421 2.169 2.546 . 0 0 "[ . 1 . 2]" 1
724 1 41 LYS H 1 41 LYS QD . . 4.900 4.005 2.178 4.625 . 0 0 "[ . 1 . 2]" 1
725 1 41 LYS H 1 41 LYS HE2 . . 5.500 4.689 3.656 5.415 . 0 0 "[ . 1 . 2]" 1
726 1 41 LYS H 1 41 LYS HE3 . . 5.500 4.415 3.685 5.514 0.014 5 0 "[ . 1 . 2]" 1
727 1 41 LYS H 1 41 LYS QG . . 3.880 2.540 2.026 3.927 0.047 1 0 "[ . 1 . 2]" 1
728 1 41 LYS H 1 42 ARG H . . 5.500 2.568 2.422 2.740 . 0 0 "[ . 1 . 2]" 1
729 1 41 LYS HA 1 41 LYS QD . . 4.130 4.013 2.855 4.304 0.174 4 0 "[ . 1 . 2]" 1
730 1 41 LYS HA 1 41 LYS HE2 . . 5.500 4.849 4.256 5.295 . 0 0 "[ . 1 . 2]" 1
731 1 41 LYS HA 1 41 LYS QE . . 4.650 4.298 3.759 4.643 . 0 0 "[ . 1 . 2]" 1
732 1 41 LYS HA 1 41 LYS HE3 . . 5.500 4.842 4.186 5.360 . 0 0 "[ . 1 . 2]" 1
733 1 41 LYS HA 1 41 LYS HG2 . . 4.240 2.732 2.469 3.727 . 0 0 "[ . 1 . 2]" 1
734 1 41 LYS HA 1 41 LYS QG . . 3.600 2.459 2.361 3.311 . 0 0 "[ . 1 . 2]" 1
735 1 41 LYS HA 1 41 LYS HG3 . . 4.240 2.986 2.478 3.713 . 0 0 "[ . 1 . 2]" 1
736 1 41 LYS HA 1 43 GLY H . . 4.280 3.483 3.215 3.636 . 0 0 "[ . 1 . 2]" 1
737 1 41 LYS QB 1 41 LYS QD . . 2.650 2.273 2.076 2.391 . 0 0 "[ . 1 . 2]" 1
738 1 41 LYS QB 1 41 LYS QE . . 4.070 2.533 1.893 3.861 . 0 0 "[ . 1 . 2]" 1
739 1 41 LYS HB2 1 41 LYS QD . . 3.360 2.664 2.211 3.017 . 0 0 "[ . 1 . 2]" 1
740 1 41 LYS HB2 1 41 LYS HE2 . . 5.500 3.502 2.766 4.675 . 0 0 "[ . 1 . 2]" 1
741 1 41 LYS HB2 1 41 LYS HE3 . . 5.500 3.150 1.949 4.793 . 0 0 "[ . 1 . 2]" 1
742 1 41 LYS HB3 1 41 LYS QD . . 3.360 2.553 2.324 3.335 . 0 0 "[ . 1 . 2]" 1
743 1 41 LYS HB3 1 41 LYS HE2 . . 5.500 3.805 2.029 4.778 . 0 0 "[ . 1 . 2]" 1
744 1 41 LYS HB3 1 41 LYS HE3 . . 5.500 3.542 2.748 5.513 0.013 11 0 "[ . 1 . 2]" 1
745 1 41 LYS QE 1 41 LYS QG . . 3.060 2.278 2.098 2.398 . 0 0 "[ . 1 . 2]" 1
746 1 41 LYS HE2 1 41 LYS HG2 . . 3.970 3.219 2.444 3.743 . 0 0 "[ . 1 . 2]" 1
747 1 41 LYS HE2 1 41 LYS HG3 . . 3.970 2.868 2.469 3.762 . 0 0 "[ . 1 . 2]" 1
748 1 41 LYS HE3 1 41 LYS HG2 . . 3.970 3.326 2.429 3.759 . 0 0 "[ . 1 . 2]" 1
749 1 41 LYS HE3 1 41 LYS HG3 . . 3.970 3.035 2.442 3.689 . 0 0 "[ . 1 . 2]" 1
750 1 42 ARG H 1 43 GLY H . . 4.450 2.409 2.282 2.534 . 0 0 "[ . 1 . 2]" 1
751 1 42 ARG QB 1 42 ARG QD . . 3.280 2.256 2.099 2.409 . 0 0 "[ . 1 . 2]" 1
752 1 42 ARG QB 1 42 ARG QG . . 2.310 2.054 2.000 2.094 . 0 0 "[ . 1 . 2]" 1
753 1 42 ARG QB 1 43 GLY H . . 4.080 3.141 2.989 3.314 . 0 0 "[ . 1 . 2]" 1
754 1 42 ARG HB2 1 43 GLY H . . 4.850 4.047 3.226 4.360 . 0 0 "[ . 1 . 2]" 1
755 1 42 ARG HB3 1 43 GLY H . . 4.850 3.373 3.101 4.270 . 0 0 "[ . 1 . 2]" 1
756 1 43 GLY H 1 44 LEU H . . 3.090 2.307 2.223 2.432 . 0 0 "[ . 1 . 2]" 1
757 1 43 GLY H 1 44 LEU QD . . 5.440 4.719 4.431 4.879 . 0 0 "[ . 1 . 2]" 1
758 1 43 GLY H 1 44 LEU HG . . 4.790 4.463 4.006 4.758 . 0 0 "[ . 1 . 2]" 1
759 1 43 GLY QA 1 44 LEU HG . . 4.810 4.235 4.050 4.415 . 0 0 "[ . 1 . 2]" 1
760 1 44 LEU H 1 44 LEU QB . . 3.480 2.451 2.411 2.498 . 0 0 "[ . 1 . 2]" 1
761 1 44 LEU H 1 44 LEU MD1 . . 4.770 3.870 3.754 4.019 . 0 0 "[ . 1 . 2]" 1
762 1 44 LEU H 1 44 LEU QD . . 3.970 3.281 3.173 3.387 . 0 0 "[ . 1 . 2]" 1
763 1 44 LEU H 1 44 LEU MD2 . . 4.770 3.548 3.354 3.680 . 0 0 "[ . 1 . 2]" 1
764 1 44 LEU H 1 44 LEU HG . . 3.850 2.686 2.499 2.901 . 0 0 "[ . 1 . 2]" 1
765 1 44 LEU H 1 45 LYS H . . 4.830 4.454 4.413 4.501 . 0 0 "[ . 1 . 2]" 1
766 1 44 LEU HA 1 44 LEU MD1 . . 3.720 3.795 3.760 3.812 0.092 5 0 "[ . 1 . 2]" 1
767 1 44 LEU HA 1 44 LEU QD . . 3.110 2.027 1.994 2.064 . 0 0 "[ . 1 . 2]" 1
768 1 44 LEU HA 1 44 LEU MD2 . . 3.720 2.034 2.001 2.073 . 0 0 "[ . 1 . 2]" 1
769 1 44 LEU HA 1 45 LYS H . . 2.960 2.119 2.007 2.280 . 0 0 "[ . 1 . 2]" 1
770 1 44 LEU HA 1 45 LYS QB . . 5.020 4.068 3.135 4.404 . 0 0 "[ . 1 . 2]" 1
771 1 44 LEU HA 1 45 LYS QD . . 4.300 4.334 3.128 4.640 0.340 5 0 "[ . 1 . 2]" 1
772 1 44 LEU QB 1 44 LEU HG . . 2.700 2.322 2.266 2.346 . 0 0 "[ . 1 . 2]" 1
773 1 44 LEU QB 1 45 LYS H . . 3.290 2.475 2.336 2.571 . 0 0 "[ . 1 . 2]" 1
774 1 44 LEU QD 1 45 LYS H . . 3.840 3.184 3.078 3.272 . 0 0 "[ . 1 . 2]" 1
775 1 44 LEU MD1 1 45 LYS H . . 4.400 4.358 4.236 4.440 0.040 13 0 "[ . 1 . 2]" 1
776 1 44 LEU MD2 1 45 LYS H . . 4.400 3.274 3.161 3.374 . 0 0 "[ . 1 . 2]" 1
777 1 44 LEU HG 1 45 LYS H . . 4.740 4.786 4.749 4.848 0.108 11 0 "[ . 1 . 2]" 1
778 1 45 LYS H 1 45 LYS HB2 . . 3.920 2.761 2.275 3.842 . 0 0 "[ . 1 . 2]" 1
779 1 45 LYS H 1 45 LYS QB . . 3.200 2.464 2.045 2.951 . 0 0 "[ . 1 . 2]" 1
780 1 45 LYS H 1 45 LYS HB3 . . 3.920 3.314 2.210 3.627 . 0 0 "[ . 1 . 2]" 1
781 1 45 LYS H 1 45 LYS QD . . 4.940 3.323 1.718 3.890 . 0 0 "[ . 1 . 2]" 1
782 1 45 LYS H 1 45 LYS QE . . 5.500 4.610 3.319 5.586 0.086 5 0 "[ . 1 . 2]" 1
783 1 45 LYS H 1 45 LYS HG2 . . 4.630 3.378 1.759 4.238 . 0 0 "[ . 1 . 2]" 1
784 1 45 LYS H 1 45 LYS QG . . 3.910 2.474 1.746 3.811 . 0 0 "[ . 1 . 2]" 1
785 1 45 LYS H 1 45 LYS HG3 . . 4.630 2.911 2.255 4.320 . 0 0 "[ . 1 . 2]" 1
786 1 45 LYS H 1 46 VAL H . . 5.180 4.281 4.178 4.400 . 0 0 "[ . 1 . 2]" 1
787 1 45 LYS HA 1 45 LYS QE . . 5.500 4.330 3.927 4.776 . 0 0 "[ . 1 . 2]" 1
788 1 45 LYS HA 1 46 VAL H . . 3.400 2.046 1.937 2.132 . 0 0 "[ . 1 . 2]" 1
789 1 45 LYS HA 1 46 VAL HB . . 5.160 4.568 4.433 4.687 . 0 0 "[ . 1 . 2]" 1
790 1 45 LYS QB 1 45 LYS QD . . 2.390 2.171 1.818 2.477 0.087 11 0 "[ . 1 . 2]" 1
791 1 45 LYS QB 1 45 LYS QE . . 3.370 2.654 1.839 3.458 0.088 6 0 "[ . 1 . 2]" 1
792 1 45 LYS QB 1 46 VAL HA . . 5.030 4.280 4.032 4.651 . 0 0 "[ . 1 . 2]" 1
793 1 45 LYS HB2 1 46 VAL H . . 4.680 3.937 2.839 4.381 . 0 0 "[ . 1 . 2]" 1
794 1 45 LYS HB3 1 46 VAL H . . 4.680 3.650 3.187 4.204 . 0 0 "[ . 1 . 2]" 1
795 1 45 LYS QE 1 45 LYS HG2 . . 3.660 2.645 2.222 3.332 . 0 0 "[ . 1 . 2]" 1
796 1 45 LYS QE 1 45 LYS QG . . 3.150 2.263 2.068 2.661 . 0 0 "[ . 1 . 2]" 1
797 1 45 LYS QE 1 45 LYS HG3 . . 3.660 2.714 2.280 3.460 . 0 0 "[ . 1 . 2]" 1
798 1 45 LYS HG2 1 46 VAL H . . 4.790 4.457 3.966 4.878 0.088 2 0 "[ . 1 . 2]" 1
799 1 45 LYS HG3 1 46 VAL H . . 4.790 4.711 3.529 4.885 0.095 16 0 "[ . 1 . 2]" 1
800 1 46 VAL H 1 46 VAL HB . . 4.080 2.654 2.575 2.741 . 0 0 "[ . 1 . 2]" 1
801 1 46 VAL H 1 46 VAL MG1 . . 4.770 3.875 3.835 3.920 . 0 0 "[ . 1 . 2]" 1
802 1 46 VAL H 1 46 VAL QG . . 3.780 2.584 2.505 2.696 . 0 0 "[ . 1 . 2]" 1
803 1 46 VAL H 1 46 VAL MG2 . . 4.770 2.624 2.538 2.747 . 0 0 "[ . 1 . 2]" 1
804 1 46 VAL H 1 47 CYS H . . 5.310 4.474 4.383 4.546 . 0 0 "[ . 1 . 2]" 1
805 1 46 VAL HA 1 46 VAL MG1 . . 3.650 2.438 2.397 2.470 . 0 0 "[ . 1 . 2]" 1
806 1 46 VAL HA 1 46 VAL MG2 . . 3.650 2.455 2.412 2.502 . 0 0 "[ . 1 . 2]" 1
807 1 46 VAL HA 1 47 CYS H . . 3.100 2.355 2.297 2.413 . 0 0 "[ . 1 . 2]" 1
808 1 46 VAL HA 1 47 CYS QB . . 5.340 4.387 4.061 4.498 . 0 0 "[ . 1 . 2]" 1
809 1 46 VAL HB 1 47 CYS H . . 4.690 3.864 3.783 3.931 . 0 0 "[ . 1 . 2]" 1
810 1 46 VAL QG 1 47 CYS H . . 3.680 2.249 2.156 2.347 . 0 0 "[ . 1 . 2]" 1
811 1 46 VAL MG1 1 47 CYS H . . 4.550 2.261 2.165 2.362 . 0 0 "[ . 1 . 2]" 1
812 1 46 VAL MG2 1 47 CYS H . . 4.550 4.012 3.935 4.090 . 0 0 "[ . 1 . 2]" 1
813 1 47 CYS H 1 47 CYS QB . . 3.490 2.666 2.501 3.016 . 0 0 "[ . 1 . 2]" 1
814 1 47 CYS H 1 48 ALA MB . . 5.290 4.483 4.297 4.668 . 0 0 "[ . 1 . 2]" 1
815 1 47 CYS HA 1 48 ALA MB . . 5.020 3.822 3.695 3.909 . 0 0 "[ . 1 . 2]" 1
816 1 47 CYS HB2 1 48 ALA H . . 5.500 3.899 3.061 4.170 . 0 0 "[ . 1 . 2]" 1
817 1 47 CYS HB3 1 48 ALA H . . 5.500 3.542 3.032 4.219 . 0 0 "[ . 1 . 2]" 1
818 1 48 ALA HA 1 49 ASP H . . 3.290 2.233 2.177 2.289 . 0 0 "[ . 1 . 2]" 1
819 1 48 ALA HA 1 49 ASP HB2 . . 5.500 4.441 4.273 4.657 . 0 0 "[ . 1 . 2]" 1
820 1 48 ALA HA 1 49 ASP HB3 . . 5.500 4.835 4.536 5.596 0.096 13 0 "[ . 1 . 2]" 1
821 1 48 ALA HA 1 54 TRP HZ2 . . 5.110 4.043 3.526 4.654 . 0 0 "[ . 1 . 2]" 1
822 1 48 ALA MB 1 49 ASP H . . 3.480 2.577 2.453 2.651 . 0 0 "[ . 1 . 2]" 1
823 1 48 ALA MB 1 49 ASP QB . . 5.300 4.062 3.851 4.167 . 0 0 "[ . 1 . 2]" 1
824 1 48 ALA MB 1 54 TRP HE1 . . 5.350 4.173 3.753 4.563 . 0 0 "[ . 1 . 2]" 1
825 1 48 ALA MB 1 54 TRP HZ2 . . 3.880 2.739 2.350 3.151 . 0 0 "[ . 1 . 2]" 1
826 1 48 ALA MB 1 55 VAL HA . . 5.250 4.260 3.957 4.520 . 0 0 "[ . 1 . 2]" 1
827 1 48 ALA MB 1 55 VAL MG1 . . 3.480 2.874 2.511 3.121 . 0 0 "[ . 1 . 2]" 1
828 1 48 ALA MB 1 55 VAL QG . . 2.900 1.898 1.769 2.052 . 0 0 "[ . 1 . 2]" 1
829 1 48 ALA MB 1 55 VAL MG2 . . 3.480 1.928 1.790 2.098 . 0 0 "[ . 1 . 2]" 1
830 1 49 ASP H 1 49 ASP HB2 . . 3.450 2.559 2.238 2.714 . 0 0 "[ . 1 . 2]" 1
831 1 49 ASP H 1 49 ASP HB3 . . 3.450 2.646 2.360 3.518 0.068 12 0 "[ . 1 . 2]" 1
832 1 49 ASP H 1 50 PRO QD . . 5.140 4.268 4.145 4.352 . 0 0 "[ . 1 . 2]" 1
833 1 49 ASP H 1 52 ALA MB . . 5.260 3.575 3.239 3.805 . 0 0 "[ . 1 . 2]" 1
834 1 49 ASP H 1 55 VAL MG1 . . 5.140 4.416 4.145 4.635 . 0 0 "[ . 1 . 2]" 1
835 1 49 ASP H 1 55 VAL QG . . 3.990 2.980 2.806 3.137 . 0 0 "[ . 1 . 2]" 1
836 1 49 ASP H 1 55 VAL MG2 . . 5.140 3.030 2.846 3.195 . 0 0 "[ . 1 . 2]" 1
837 1 49 ASP HA 1 50 PRO QB . . 4.760 4.623 4.536 4.767 0.007 1 0 "[ . 1 . 2]" 1
838 1 49 ASP HA 1 50 PRO HD2 . . 3.450 2.239 1.965 2.780 . 0 0 "[ . 1 . 2]" 1
839 1 49 ASP HA 1 50 PRO HD3 . . 3.450 2.263 1.924 2.537 . 0 0 "[ . 1 . 2]" 1
840 1 49 ASP HA 1 51 GLN H . . 5.060 3.764 3.431 4.047 . 0 0 "[ . 1 . 2]" 1
841 1 49 ASP QB 1 51 GLN H . . 4.570 3.333 2.310 3.869 . 0 0 "[ . 1 . 2]" 1
842 1 49 ASP QB 1 52 ALA H . . 3.940 3.100 2.399 3.350 . 0 0 "[ . 1 . 2]" 1
843 1 49 ASP QB 1 52 ALA MB . . 3.470 2.424 1.979 2.676 . 0 0 "[ . 1 . 2]" 1
844 1 49 ASP QB 1 55 VAL QG . . 4.750 3.485 3.209 3.746 . 0 0 "[ . 1 . 2]" 1
845 1 49 ASP HB2 1 51 GLN H . . 5.370 4.347 3.321 4.764 . 0 0 "[ . 1 . 2]" 1
846 1 49 ASP HB2 1 52 ALA H . . 4.780 4.407 2.577 4.834 0.054 17 0 "[ . 1 . 2]" 1
847 1 49 ASP HB2 1 52 ALA MB . . 4.240 3.661 2.004 4.244 0.004 17 0 "[ . 1 . 2]" 1
848 1 49 ASP HB3 1 51 GLN H . . 5.370 3.475 2.337 4.093 . 0 0 "[ . 1 . 2]" 1
849 1 49 ASP HB3 1 52 ALA H . . 4.780 3.214 2.754 3.417 . 0 0 "[ . 1 . 2]" 1
850 1 49 ASP HB3 1 52 ALA MB . . 4.240 2.677 2.337 3.325 . 0 0 "[ . 1 . 2]" 1
851 1 50 PRO HA 1 55 VAL QG . . 3.530 2.169 1.876 2.424 . 0 0 "[ . 1 . 2]" 1
852 1 50 PRO HA 1 59 VAL HB . . 5.130 5.145 4.971 5.263 0.133 11 0 "[ . 1 . 2]" 1
853 1 50 PRO QB 1 51 GLN H . . 3.680 3.431 2.946 3.623 . 0 0 "[ . 1 . 2]" 1
854 1 50 PRO QB 1 55 VAL QG . . 4.440 3.554 3.272 3.766 . 0 0 "[ . 1 . 2]" 1
855 1 50 PRO QD 1 51 GLN H . . 3.740 2.887 2.592 3.068 . 0 0 "[ . 1 . 2]" 1
856 1 51 GLN H 1 51 GLN HB2 . . 4.010 2.784 2.306 3.787 . 0 0 "[ . 1 . 2]" 1
857 1 51 GLN H 1 51 GLN QB . . 3.200 2.533 2.278 3.004 . 0 0 "[ . 1 . 2]" 1
858 1 51 GLN H 1 51 GLN HB3 . . 4.010 3.457 2.724 3.656 . 0 0 "[ . 1 . 2]" 1
859 1 51 GLN H 1 51 GLN HG2 . . 3.990 2.799 2.123 3.995 0.005 8 0 "[ . 1 . 2]" 1
860 1 51 GLN H 1 51 GLN QG . . 3.450 2.439 2.094 3.540 0.090 8 0 "[ . 1 . 2]" 1
861 1 51 GLN H 1 51 GLN HG3 . . 3.990 3.341 2.208 3.954 . 0 0 "[ . 1 . 2]" 1
862 1 51 GLN H 1 52 ALA H . . 3.180 2.236 2.143 2.403 . 0 0 "[ . 1 . 2]" 1
863 1 51 GLN H 1 52 ALA HA . . 4.780 4.802 4.739 4.836 0.056 5 0 "[ . 1 . 2]" 1
864 1 51 GLN H 1 52 ALA MB . . 4.470 3.905 3.831 4.052 . 0 0 "[ . 1 . 2]" 1
865 1 51 GLN HA 1 51 GLN HG2 . . 4.090 3.183 2.555 3.812 . 0 0 "[ . 1 . 2]" 1
866 1 51 GLN HA 1 51 GLN QG . . 3.420 2.925 2.418 3.365 . 0 0 "[ . 1 . 2]" 1
867 1 51 GLN HA 1 51 GLN HG3 . . 4.090 3.540 2.569 3.828 . 0 0 "[ . 1 . 2]" 1
868 1 51 GLN HA 1 56 ARG QD . . 4.350 3.692 2.296 4.168 . 0 0 "[ . 1 . 2]" 1
869 1 51 GLN HA 1 56 ARG QG . . 5.240 3.452 2.623 3.931 . 0 0 "[ . 1 . 2]" 1
870 1 51 GLN QB 1 51 GLN QG . . 2.160 2.039 1.979 2.091 . 0 0 "[ . 1 . 2]" 1
871 1 51 GLN QB 1 52 ALA HA . . 5.340 4.238 3.893 4.726 . 0 0 "[ . 1 . 2]" 1
872 1 51 GLN QG 1 52 ALA H . . 5.210 4.004 2.994 4.905 . 0 0 "[ . 1 . 2]" 1
873 1 52 ALA H 1 52 ALA MB . . 3.010 2.237 2.216 2.263 . 0 0 "[ . 1 . 2]" 1
874 1 52 ALA H 1 53 THR H . . 5.500 4.525 4.480 4.576 . 0 0 "[ . 1 . 2]" 1
875 1 52 ALA H 1 53 THR HA . . 5.500 5.466 5.374 5.551 0.051 17 0 "[ . 1 . 2]" 1
876 1 52 ALA H 1 55 VAL H . . 5.430 4.648 4.443 4.772 . 0 0 "[ . 1 . 2]" 1
877 1 52 ALA H 1 55 VAL HB . . 3.980 3.250 2.987 3.450 . 0 0 "[ . 1 . 2]" 1
878 1 52 ALA H 1 55 VAL MG1 . . 4.730 4.020 3.665 4.336 . 0 0 "[ . 1 . 2]" 1
879 1 52 ALA H 1 55 VAL QG . . 4.030 3.375 3.186 3.538 . 0 0 "[ . 1 . 2]" 1
880 1 52 ALA H 1 55 VAL MG2 . . 4.730 3.630 3.501 3.755 . 0 0 "[ . 1 . 2]" 1
881 1 52 ALA H 1 56 ARG QD . . 5.500 5.172 4.319 5.579 0.079 9 0 "[ . 1 . 2]" 1
882 1 52 ALA H 1 56 ARG QG . . 5.130 3.948 3.581 4.247 . 0 0 "[ . 1 . 2]" 1
883 1 52 ALA HA 1 53 THR H . . 3.190 2.089 2.063 2.150 . 0 0 "[ . 1 . 2]" 1
884 1 52 ALA HA 1 53 THR HA . . 5.080 4.232 4.194 4.279 . 0 0 "[ . 1 . 2]" 1
885 1 52 ALA HA 1 54 TRP H . . 3.840 3.938 3.900 3.986 0.146 17 0 "[ . 1 . 2]" 1
886 1 52 ALA MB 1 53 THR H . . 4.060 2.981 2.860 3.112 . 0 0 "[ . 1 . 2]" 1
887 1 52 ALA MB 1 54 TRP H . . 4.060 2.900 2.794 2.982 . 0 0 "[ . 1 . 2]" 1
888 1 52 ALA MB 1 54 TRP HD1 . . 3.200 2.343 2.133 2.492 . 0 0 "[ . 1 . 2]" 1
889 1 52 ALA MB 1 54 TRP HE1 . . 4.290 2.588 2.405 2.727 . 0 0 "[ . 1 . 2]" 1
890 1 52 ALA MB 1 55 VAL H . . 3.770 2.633 2.568 2.713 . 0 0 "[ . 1 . 2]" 1
891 1 52 ALA MB 1 55 VAL HB . . 3.700 2.375 2.177 2.547 . 0 0 "[ . 1 . 2]" 1
892 1 52 ALA MB 1 55 VAL QG . . 3.210 1.987 1.917 2.089 . 0 0 "[ . 1 . 2]" 1
893 1 52 ALA MB 1 56 ARG H . . 4.640 3.861 3.779 3.942 . 0 0 "[ . 1 . 2]" 1
894 1 53 THR H 1 53 THR MG . . 4.790 3.708 3.679 3.743 . 0 0 "[ . 1 . 2]" 1
895 1 53 THR H 1 54 TRP H . . 4.500 2.692 2.616 2.794 . 0 0 "[ . 1 . 2]" 1
896 1 53 THR HA 1 53 THR MG . . 3.690 2.370 2.316 2.456 . 0 0 "[ . 1 . 2]" 1
897 1 53 THR HA 1 55 VAL H . . 5.480 4.218 4.130 4.336 . 0 0 "[ . 1 . 2]" 1
898 1 53 THR HA 1 56 ARG H . . 4.870 3.393 3.210 3.550 . 0 0 "[ . 1 . 2]" 1
899 1 53 THR HA 1 56 ARG QB . . 3.450 2.598 2.242 2.936 . 0 0 "[ . 1 . 2]" 1
900 1 53 THR HA 1 56 ARG QD . . 4.450 2.748 2.072 4.339 . 0 0 "[ . 1 . 2]" 1
901 1 53 THR HA 1 56 ARG QG . . 4.020 3.128 2.421 3.558 . 0 0 "[ . 1 . 2]" 1
902 1 53 THR HA 1 57 ASP H . . 4.090 4.037 3.763 4.151 0.061 1 0 "[ . 1 . 2]" 1
903 1 53 THR HB 1 54 TRP H . . 4.300 2.780 2.629 2.855 . 0 0 "[ . 1 . 2]" 1
904 1 53 THR HB 1 54 TRP HD1 . . 4.610 4.431 3.985 4.643 0.033 11 0 "[ . 1 . 2]" 1
905 1 53 THR MG 1 54 TRP H . . 5.080 3.667 3.523 3.737 . 0 0 "[ . 1 . 2]" 1
906 1 53 THR MG 1 54 TRP HB2 . . 5.500 5.477 5.285 5.530 0.030 2 0 "[ . 1 . 2]" 1
907 1 53 THR MG 1 54 TRP HB3 . . 5.500 4.647 4.470 4.761 . 0 0 "[ . 1 . 2]" 1
908 1 53 THR MG 1 57 ASP H . . 4.810 4.097 3.780 4.260 . 0 0 "[ . 1 . 2]" 1
909 1 53 THR MG 1 57 ASP QB . . 5.340 3.539 3.140 4.532 . 0 0 "[ . 1 . 2]" 1
910 1 54 TRP H 1 54 TRP HB2 . . 4.090 3.704 3.678 3.745 . 0 0 "[ . 1 . 2]" 1
911 1 54 TRP H 1 54 TRP QB . . 3.450 2.573 2.500 2.639 . 0 0 "[ . 1 . 2]" 1
912 1 54 TRP H 1 54 TRP HB3 . . 4.090 2.625 2.544 2.701 . 0 0 "[ . 1 . 2]" 1
913 1 54 TRP H 1 54 TRP HD1 . . 3.370 2.325 2.187 2.420 . 0 0 "[ . 1 . 2]" 1
914 1 54 TRP H 1 55 VAL H . . 4.000 2.440 2.391 2.548 . 0 0 "[ . 1 . 2]" 1
915 1 54 TRP H 1 55 VAL HB . . 5.340 4.549 4.344 4.801 . 0 0 "[ . 1 . 2]" 1
916 1 54 TRP H 1 55 VAL QG . . 5.290 3.916 3.789 4.081 . 0 0 "[ . 1 . 2]" 1
917 1 54 TRP H 1 56 ARG H . . 5.130 4.055 3.923 4.196 . 0 0 "[ . 1 . 2]" 1
918 1 54 TRP HA 1 54 TRP HD1 . . 4.350 4.368 4.290 4.396 0.046 7 0 "[ . 1 . 2]" 1
919 1 54 TRP HA 1 54 TRP HE3 . . 4.920 4.269 4.165 4.501 . 0 0 "[ . 1 . 2]" 1
920 1 54 TRP QB 1 54 TRP HD1 . . 3.090 2.605 2.569 2.658 . 0 0 "[ . 1 . 2]" 1
921 1 54 TRP QB 1 54 TRP HE3 . . 3.530 2.429 2.337 2.504 . 0 0 "[ . 1 . 2]" 1
922 1 54 TRP QB 1 54 TRP HZ3 . . 5.020 4.702 4.644 4.736 . 0 0 "[ . 1 . 2]" 1
923 1 54 TRP HB2 1 54 TRP HD1 . . 3.700 3.764 3.744 3.789 0.089 13 0 "[ . 1 . 2]" 1
924 1 54 TRP HB2 1 55 VAL H . . 5.500 3.960 3.863 4.016 . 0 0 "[ . 1 . 2]" 1
925 1 54 TRP HB3 1 54 TRP HD1 . . 3.700 2.657 2.616 2.715 . 0 0 "[ . 1 . 2]" 1
926 1 54 TRP HB3 1 55 VAL H . . 5.500 3.924 3.872 3.976 . 0 0 "[ . 1 . 2]" 1
927 1 54 TRP HD1 1 55 VAL H . . 4.700 3.420 3.186 3.579 . 0 0 "[ . 1 . 2]" 1
928 1 54 TRP HD1 1 55 VAL HB . . 5.200 5.238 5.093 5.314 0.114 15 0 "[ . 1 . 2]" 1
929 1 54 TRP HD1 1 55 VAL QG . . 4.250 3.638 3.518 3.825 . 0 0 "[ . 1 . 2]" 1
930 1 54 TRP HE1 1 55 VAL QG . . 4.770 3.020 2.809 3.215 . 0 0 "[ . 1 . 2]" 1
931 1 54 TRP HE3 1 55 VAL QG . . 4.720 3.818 3.554 4.078 . 0 0 "[ . 1 . 2]" 1
932 1 54 TRP HE3 1 58 CYS HB2 . . 5.500 4.157 3.561 4.539 . 0 0 "[ . 1 . 2]" 1
933 1 54 TRP HE3 1 58 CYS QB . . 4.620 3.983 3.363 4.345 . 0 0 "[ . 1 . 2]" 1
934 1 54 TRP HE3 1 58 CYS HB3 . . 5.500 5.118 4.130 5.556 0.056 15 0 "[ . 1 . 2]" 1
935 1 54 TRP HH2 1 55 VAL QG . . 5.010 3.578 3.423 3.842 . 0 0 "[ . 1 . 2]" 1
936 1 54 TRP HZ2 1 55 VAL QG . . 4.080 3.128 2.995 3.338 . 0 0 "[ . 1 . 2]" 1
937 1 54 TRP HZ3 1 58 CYS QB . . 4.970 4.346 3.826 4.838 . 0 0 "[ . 1 . 2]" 1
938 1 55 VAL H 1 55 VAL HB . . 3.630 2.430 2.297 2.594 . 0 0 "[ . 1 . 2]" 1
939 1 55 VAL H 1 55 VAL QG . . 3.440 2.261 2.180 2.339 . 0 0 "[ . 1 . 2]" 1
940 1 55 VAL H 1 56 ARG H . . 3.590 2.543 2.478 2.619 . 0 0 "[ . 1 . 2]" 1
941 1 55 VAL H 1 56 ARG HA . . 5.500 5.148 5.068 5.184 . 0 0 "[ . 1 . 2]" 1
942 1 55 VAL H 1 56 ARG QB . . 5.500 4.499 4.371 4.641 . 0 0 "[ . 1 . 2]" 1
943 1 55 VAL H 1 56 ARG QG . . 5.240 4.175 3.861 4.364 . 0 0 "[ . 1 . 2]" 1
944 1 55 VAL H 1 57 ASP H . . 4.870 3.856 3.696 4.055 . 0 0 "[ . 1 . 2]" 1
945 1 55 VAL HA 1 55 VAL MG1 . . 3.500 2.453 2.401 2.503 . 0 0 "[ . 1 . 2]" 1
946 1 55 VAL HA 1 55 VAL QG . . 3.060 2.119 2.089 2.149 . 0 0 "[ . 1 . 2]" 1
947 1 55 VAL HA 1 55 VAL MG2 . . 3.500 2.318 2.261 2.358 . 0 0 "[ . 1 . 2]" 1
948 1 55 VAL HA 1 58 CYS H . . 3.200 3.250 3.202 3.283 0.083 8 0 "[ . 1 . 2]" 1
949 1 55 VAL HA 1 58 CYS QB . . 4.280 3.071 2.748 3.435 . 0 0 "[ . 1 . 2]" 1
950 1 55 VAL HA 1 59 VAL H . . 4.530 3.508 3.371 3.662 . 0 0 "[ . 1 . 2]" 1
951 1 55 VAL HB 1 56 ARG H . . 3.720 2.455 2.331 2.580 . 0 0 "[ . 1 . 2]" 1
952 1 55 VAL QG 1 56 ARG H . . 3.720 3.003 2.863 3.096 . 0 0 "[ . 1 . 2]" 1
953 1 55 VAL QG 1 56 ARG HA . . 4.770 3.225 3.007 3.413 . 0 0 "[ . 1 . 2]" 1
954 1 55 VAL QG 1 57 ASP H . . 5.150 4.419 4.294 4.624 . 0 0 "[ . 1 . 2]" 1
955 1 55 VAL QG 1 58 CYS H . . 4.440 4.199 4.075 4.294 . 0 0 "[ . 1 . 2]" 1
956 1 55 VAL MG1 1 56 ARG H . . 4.320 3.151 2.957 3.281 . 0 0 "[ . 1 . 2]" 1
957 1 55 VAL MG2 1 56 ARG H . . 4.320 3.790 3.694 3.859 . 0 0 "[ . 1 . 2]" 1
958 1 56 ARG H 1 56 ARG QB . . 3.030 2.487 2.380 2.670 . 0 0 "[ . 1 . 2]" 1
959 1 56 ARG H 1 56 ARG QD . . 5.060 3.846 3.663 4.151 . 0 0 "[ . 1 . 2]" 1
960 1 56 ARG H 1 56 ARG HG2 . . 4.160 3.282 2.326 3.486 . 0 0 "[ . 1 . 2]" 1
961 1 56 ARG H 1 56 ARG QG . . 3.470 2.155 2.020 2.300 . 0 0 "[ . 1 . 2]" 1
962 1 56 ARG H 1 56 ARG HG3 . . 4.160 2.247 2.044 3.640 . 0 0 "[ . 1 . 2]" 1
963 1 56 ARG H 1 57 ASP H . . 3.540 2.690 2.588 2.846 . 0 0 "[ . 1 . 2]" 1
964 1 56 ARG H 1 58 CYS H . . 5.260 4.294 4.214 4.368 . 0 0 "[ . 1 . 2]" 1
965 1 56 ARG HA 1 56 ARG QD . . 5.060 3.943 2.919 4.228 . 0 0 "[ . 1 . 2]" 1
966 1 56 ARG HA 1 56 ARG HG2 . . 4.180 2.503 2.290 2.977 . 0 0 "[ . 1 . 2]" 1
967 1 56 ARG HA 1 56 ARG QG . . 3.640 2.399 2.201 2.875 . 0 0 "[ . 1 . 2]" 1
968 1 56 ARG HA 1 56 ARG HG3 . . 4.180 3.084 2.854 3.796 . 0 0 "[ . 1 . 2]" 1
969 1 56 ARG HA 1 58 CYS H . . 4.970 4.512 4.126 4.805 . 0 0 "[ . 1 . 2]" 1
970 1 56 ARG HA 1 59 VAL H . . 4.900 3.798 3.560 3.981 . 0 0 "[ . 1 . 2]" 1
971 1 56 ARG HA 1 59 VAL HB . . 3.940 3.918 3.708 4.039 0.099 8 0 "[ . 1 . 2]" 1
972 1 56 ARG HA 1 59 VAL MG1 . . 4.860 1.976 1.819 2.174 . 0 0 "[ . 1 . 2]" 1
973 1 56 ARG HA 1 59 VAL QG . . 3.990 1.974 1.818 2.170 . 0 0 "[ . 1 . 2]" 1
974 1 56 ARG HA 1 59 VAL MG2 . . 4.860 4.504 4.375 4.688 . 0 0 "[ . 1 . 2]" 1
975 1 56 ARG HA 1 60 ARG H . . 4.770 4.087 3.573 4.421 . 0 0 "[ . 1 . 2]" 1
976 1 56 ARG QB 1 56 ARG QG . . 2.310 2.067 1.998 2.087 . 0 0 "[ . 1 . 2]" 1
977 1 56 ARG QB 1 57 ASP H . . 3.370 2.579 2.278 2.815 . 0 0 "[ . 1 . 2]" 1
978 1 56 ARG QB 1 57 ASP QB . . 4.880 3.937 3.575 4.545 . 0 0 "[ . 1 . 2]" 1
979 1 56 ARG QB 1 58 CYS H . . 5.010 4.846 4.711 4.933 . 0 0 "[ . 1 . 2]" 1
980 1 56 ARG QD 1 57 ASP H . . 5.030 4.773 4.404 5.108 0.078 4 0 "[ . 1 . 2]" 1
981 1 56 ARG QG 1 57 ASP H . . 4.130 3.996 3.763 4.109 . 0 0 "[ . 1 . 2]" 1
982 1 56 ARG HG2 1 57 ASP H . . 4.850 4.871 4.315 4.946 0.096 6 0 "[ . 1 . 2]" 1
983 1 56 ARG HG3 1 57 ASP H . . 4.850 4.260 3.933 4.643 . 0 0 "[ . 1 . 2]" 1
984 1 57 ASP H 1 57 ASP HB2 . . 3.460 2.608 2.281 2.765 . 0 0 "[ . 1 . 2]" 1
985 1 57 ASP H 1 57 ASP QB . . 2.980 2.278 2.184 2.409 . 0 0 "[ . 1 . 2]" 1
986 1 57 ASP H 1 57 ASP HB3 . . 3.460 2.596 2.405 3.589 0.129 1 0 "[ . 1 . 2]" 1
987 1 57 ASP H 1 58 CYS H . . 3.640 2.767 2.664 2.905 . 0 0 "[ . 1 . 2]" 1
988 1 57 ASP HA 1 60 ARG H . . 4.460 4.022 3.550 4.319 . 0 0 "[ . 1 . 2]" 1
989 1 57 ASP HA 1 60 ARG QB . . 3.790 3.298 2.613 3.846 0.056 5 0 "[ . 1 . 2]" 1
990 1 57 ASP HA 1 61 SER H . . 4.870 4.222 3.960 4.454 . 0 0 "[ . 1 . 2]" 1
991 1 57 ASP QB 1 58 CYS H . . 3.620 2.640 2.519 2.877 . 0 0 "[ . 1 . 2]" 1
992 1 58 CYS H 1 58 CYS QB . . 3.310 2.415 2.270 2.518 . 0 0 "[ . 1 . 2]" 1
993 1 58 CYS H 1 59 VAL H . . 3.640 2.474 2.241 2.612 . 0 0 "[ . 1 . 2]" 1
994 1 58 CYS H 1 61 SER QB . . 4.640 4.506 4.248 4.718 0.078 18 0 "[ . 1 . 2]" 1
995 1 58 CYS HA 1 61 SER H . . 4.800 2.858 2.678 3.271 . 0 0 "[ . 1 . 2]" 1
996 1 58 CYS QB 1 59 VAL QG . . 4.830 4.130 4.032 4.253 . 0 0 "[ . 1 . 2]" 1
997 1 58 CYS QB 1 60 ARG H . . 4.200 4.297 4.242 4.331 0.131 5 0 "[ . 1 . 2]" 1
998 1 58 CYS QB 1 61 SER H . . 4.900 4.393 4.222 4.583 . 0 0 "[ . 1 . 2]" 1
999 1 58 CYS QB 1 61 SER QB . . 5.340 3.618 3.306 4.002 . 0 0 "[ . 1 . 2]" 1
1000 1 58 CYS HB2 1 59 VAL H . . 4.740 2.900 2.587 3.783 . 0 0 "[ . 1 . 2]" 1
1001 1 58 CYS HB2 1 60 ARG H . . 4.910 4.783 4.637 5.140 0.230 20 0 "[ . 1 . 2]" 1
1002 1 58 CYS HB3 1 59 VAL H . . 4.740 3.460 2.585 3.739 . 0 0 "[ . 1 . 2]" 1
1003 1 58 CYS HB3 1 60 ARG H . . 4.910 4.913 4.519 5.035 0.125 10 0 "[ . 1 . 2]" 1
1004 1 59 VAL H 1 59 VAL HB . . 3.680 2.354 2.305 2.456 . 0 0 "[ . 1 . 2]" 1
1005 1 59 VAL H 1 59 VAL MG1 . . 4.300 2.407 2.325 2.498 . 0 0 "[ . 1 . 2]" 1
1006 1 59 VAL H 1 59 VAL QG . . 3.460 2.378 2.303 2.460 . 0 0 "[ . 1 . 2]" 1
1007 1 59 VAL H 1 59 VAL MG2 . . 4.300 3.710 3.688 3.741 . 0 0 "[ . 1 . 2]" 1
1008 1 59 VAL H 1 60 ARG H . . 3.880 2.436 2.379 2.509 . 0 0 "[ . 1 . 2]" 1
1009 1 59 VAL H 1 61 SER H . . 4.990 3.923 3.791 4.035 . 0 0 "[ . 1 . 2]" 1
1010 1 59 VAL HA 1 59 VAL MG1 . . 3.610 3.198 3.169 3.212 . 0 0 "[ . 1 . 2]" 1
1011 1 59 VAL HA 1 59 VAL QG . . 3.130 2.263 2.231 2.301 . 0 0 "[ . 1 . 2]" 1
1012 1 59 VAL HA 1 59 VAL MG2 . . 3.610 2.314 2.276 2.358 . 0 0 "[ . 1 . 2]" 1
1013 1 59 VAL HA 1 60 ARG HA . . 5.500 4.581 4.484 4.793 . 0 0 "[ . 1 . 2]" 1
1014 1 59 VAL HA 1 61 SER H . . 4.950 4.455 4.305 4.621 . 0 0 "[ . 1 . 2]" 1
1015 1 59 VAL HA 1 62 MET H . . 4.740 3.828 3.588 4.169 . 0 0 "[ . 1 . 2]" 1
1016 1 59 VAL HA 1 62 MET QB . . 4.220 3.382 3.038 3.823 . 0 0 "[ . 1 . 2]" 1
1017 1 59 VAL HA 1 62 MET HG2 . . 4.990 4.127 3.575 4.746 . 0 0 "[ . 1 . 2]" 1
1018 1 59 VAL HA 1 62 MET HG3 . . 4.990 4.460 3.750 4.886 . 0 0 "[ . 1 . 2]" 1
1019 1 59 VAL HB 1 60 ARG H . . 3.870 3.860 3.801 3.900 0.030 11 0 "[ . 1 . 2]" 1
1020 1 59 VAL QG 1 60 ARG H . . 3.710 2.427 2.366 2.487 . 0 0 "[ . 1 . 2]" 1
1021 1 59 VAL QG 1 60 ARG HA . . 4.290 3.198 3.106 3.356 . 0 0 "[ . 1 . 2]" 1
1022 1 59 VAL QG 1 61 SER H . . 5.280 4.195 4.130 4.276 . 0 0 "[ . 1 . 2]" 1
1023 1 59 VAL QG 1 63 ASP QB . . 4.650 3.756 3.295 4.243 . 0 0 "[ . 1 . 2]" 1
1024 1 59 VAL MG1 1 60 ARG H . . 4.320 2.445 2.383 2.506 . 0 0 "[ . 1 . 2]" 1
1025 1 59 VAL MG2 1 60 ARG H . . 4.320 4.078 3.995 4.157 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ARG H 1 60 ARG QB . . 3.080 2.485 2.119 2.870 . 0 0 "[ . 1 . 2]" 1
1027 1 60 ARG H 1 60 ARG QD . . 5.500 4.071 3.463 4.653 . 0 0 "[ . 1 . 2]" 1
1028 1 60 ARG H 1 60 ARG HG2 . . 4.410 3.453 2.678 4.444 0.034 9 0 "[ . 1 . 2]" 1
1029 1 60 ARG H 1 60 ARG QG . . 3.620 2.973 2.315 3.828 0.208 6 0 "[ . 1 . 2]" 1
1030 1 60 ARG H 1 60 ARG HG3 . . 4.410 3.755 2.333 4.421 0.011 17 0 "[ . 1 . 2]" 1
1031 1 60 ARG H 1 61 SER H . . 3.500 2.254 2.158 2.335 . 0 0 "[ . 1 . 2]" 1
1032 1 60 ARG H 1 62 MET QB . . 5.370 5.143 4.822 5.380 0.010 13 0 "[ . 1 . 2]" 1
1033 1 60 ARG HA 1 60 ARG QD . . 4.990 2.922 1.862 4.195 . 0 0 "[ . 1 . 2]" 1
1034 1 60 ARG HA 1 60 ARG HG2 . . 4.130 3.047 2.417 4.236 0.106 5 0 "[ . 1 . 2]" 1
1035 1 60 ARG HA 1 60 ARG QG . . 3.620 2.764 2.311 3.504 . 0 0 "[ . 1 . 2]" 1
1036 1 60 ARG HA 1 60 ARG HG3 . . 4.130 3.372 2.485 3.802 . 0 0 "[ . 1 . 2]" 1
1037 1 60 ARG HA 1 63 ASP H . . 4.530 3.088 2.831 3.750 . 0 0 "[ . 1 . 2]" 1
1038 1 60 ARG HA 1 63 ASP QB . . 3.940 2.165 1.829 2.798 . 0 0 "[ . 1 . 2]" 1
1039 1 60 ARG HA 1 64 ARG H . . 5.140 3.937 3.708 4.281 . 0 0 "[ . 1 . 2]" 1
1040 1 60 ARG QB 1 61 SER H . . 3.550 2.874 2.303 3.577 0.027 5 0 "[ . 1 . 2]" 1
1041 1 60 ARG QB 1 61 SER QB . . 4.860 4.386 3.759 4.897 0.037 5 0 "[ . 1 . 2]" 1
1042 1 60 ARG QB 1 62 MET H . . 5.080 4.902 4.692 5.145 0.065 5 0 "[ . 1 . 2]" 1
1043 1 60 ARG QB 1 63 ASP QB . . 4.810 3.610 3.265 4.568 . 0 0 "[ . 1 . 2]" 1
1044 1 61 SER H 1 61 SER QB . . 3.060 2.298 2.198 2.487 . 0 0 "[ . 1 . 2]" 1
1045 1 61 SER H 1 62 MET H . . 3.730 2.716 2.601 2.814 . 0 0 "[ . 1 . 2]" 1
1046 1 61 SER HA 1 63 ASP QB . . 4.960 4.850 4.496 5.036 0.076 17 0 "[ . 1 . 2]" 1
1047 1 61 SER QB 1 62 MET H . . 4.080 2.548 2.375 2.807 . 0 0 "[ . 1 . 2]" 1
1048 1 62 MET H 1 62 MET QB . . 3.650 2.440 2.344 2.521 . 0 0 "[ . 1 . 2]" 1
1049 1 62 MET H 1 62 MET HG2 . . 4.240 2.386 2.138 2.678 . 0 0 "[ . 1 . 2]" 1
1050 1 62 MET H 1 62 MET QG . . 3.630 2.361 2.123 2.636 . 0 0 "[ . 1 . 2]" 1
1051 1 62 MET H 1 62 MET HG3 . . 4.240 3.781 3.611 3.930 . 0 0 "[ . 1 . 2]" 1
1052 1 62 MET H 1 63 ASP H . . 3.750 2.530 2.420 2.744 . 0 0 "[ . 1 . 2]" 1
1053 1 62 MET HA 1 62 MET HG2 . . 3.870 3.061 2.834 3.214 . 0 0 "[ . 1 . 2]" 1
1054 1 62 MET HA 1 62 MET QG . . 3.370 2.924 2.735 3.056 . 0 0 "[ . 1 . 2]" 1
1055 1 62 MET HA 1 62 MET HG3 . . 3.870 3.715 3.601 3.821 . 0 0 "[ . 1 . 2]" 1
1056 1 62 MET HA 1 65 LYS H . . 4.690 3.250 2.917 3.532 . 0 0 "[ . 1 . 2]" 1
1057 1 62 MET HA 1 65 LYS QB . . 3.610 2.987 2.213 3.740 0.130 11 0 "[ . 1 . 2]" 1
1058 1 62 MET HA 1 65 LYS QD . . 4.440 2.947 1.983 4.451 0.011 4 0 "[ . 1 . 2]" 1
1059 1 62 MET HA 1 65 LYS QE . . 5.490 3.804 2.001 5.024 . 0 0 "[ . 1 . 2]" 1
1060 1 62 MET HA 1 65 LYS HG2 . . 4.580 3.342 1.860 4.623 0.043 14 0 "[ . 1 . 2]" 1
1061 1 62 MET HA 1 65 LYS QG . . 3.930 2.500 1.847 3.246 . 0 0 "[ . 1 . 2]" 1
1062 1 62 MET HA 1 65 LYS HG3 . . 4.580 2.943 1.902 4.330 . 0 0 "[ . 1 . 2]" 1
1063 1 62 MET QB 1 63 ASP H . . 3.920 2.745 2.487 2.866 . 0 0 "[ . 1 . 2]" 1
1064 1 62 MET QG 1 63 ASP H . . 4.300 4.144 3.913 4.314 0.014 16 0 "[ . 1 . 2]" 1
1065 1 62 MET HG2 1 63 ASP H . . 5.170 4.384 4.137 4.596 . 0 0 "[ . 1 . 2]" 1
1066 1 62 MET HG3 1 63 ASP H . . 5.170 5.106 4.826 5.228 0.058 16 0 "[ . 1 . 2]" 1
1067 1 63 ASP H 1 63 ASP QB . . 3.340 2.230 2.163 2.311 . 0 0 "[ . 1 . 2]" 1
1068 1 63 ASP H 1 64 ARG H . . 3.830 2.567 2.450 2.735 . 0 0 "[ . 1 . 2]" 1
1069 1 63 ASP QB 1 64 ARG H . . 3.980 2.570 2.362 2.846 . 0 0 "[ . 1 . 2]" 1
1070 1 65 LYS H 1 65 LYS QB . . 3.040 2.488 2.430 2.572 . 0 0 "[ . 1 . 2]" 1
1071 1 65 LYS H 1 65 LYS QD . . 4.040 3.716 3.282 4.146 0.106 6 0 "[ . 1 . 2]" 1
1072 1 65 LYS H 1 65 LYS QE . . 5.500 4.564 3.734 5.232 . 0 0 "[ . 1 . 2]" 1
1073 1 65 LYS H 1 65 LYS HG2 . . 4.460 2.929 2.131 3.595 . 0 0 "[ . 1 . 2]" 1
1074 1 65 LYS H 1 65 LYS QG . . 3.850 2.242 2.110 2.424 . 0 0 "[ . 1 . 2]" 1
1075 1 65 LYS H 1 65 LYS HG3 . . 4.460 2.872 2.143 3.750 . 0 0 "[ . 1 . 2]" 1
1076 1 65 LYS HA 1 65 LYS QD . . 4.360 3.622 2.042 4.436 0.076 11 0 "[ . 1 . 2]" 1
1077 1 65 LYS HA 1 65 LYS QE . . 5.500 4.419 2.894 5.620 0.120 2 0 "[ . 1 . 2]" 1
1078 1 65 LYS HA 1 65 LYS HG2 . . 4.190 3.047 2.527 4.261 0.071 18 0 "[ . 1 . 2]" 1
1079 1 65 LYS HA 1 65 LYS QG . . 3.660 2.830 2.416 3.503 . 0 0 "[ . 1 . 2]" 1
1080 1 65 LYS HA 1 65 LYS HG3 . . 4.190 3.447 3.000 3.831 . 0 0 "[ . 1 . 2]" 1
1081 1 65 LYS QB 1 65 LYS QE . . 4.390 2.951 1.971 3.864 . 0 0 "[ . 1 . 2]" 1
1082 1 65 LYS QB 1 66 SER H . . 4.220 2.973 2.185 3.853 . 0 0 "[ . 1 . 2]" 1
1083 1 65 LYS QD 1 65 LYS HG2 . . 2.530 2.303 2.157 2.426 . 0 0 "[ . 1 . 2]" 1
1084 1 65 LYS QD 1 65 LYS HG3 . . 2.530 2.323 2.176 2.403 . 0 0 "[ . 1 . 2]" 1
1085 1 66 SER H 1 66 SER QB . . 3.760 2.518 2.247 3.347 . 0 0 "[ . 1 . 2]" 1
1086 1 66 SER QB 1 67 ASN H . . 4.860 3.292 1.843 4.042 . 0 0 "[ . 1 . 2]" 1
1087 1 67 ASN HA 1 68 THR H . . 3.480 2.658 2.074 3.520 0.040 14 0 "[ . 1 . 2]" 1
1088 1 67 ASN HB2 1 68 THR H . . 5.500 4.023 2.547 4.537 . 0 0 "[ . 1 . 2]" 1
1089 1 67 ASN HB3 1 68 THR H . . 5.500 3.792 2.295 4.525 . 0 0 "[ . 1 . 2]" 1
1090 1 68 THR H 1 68 THR MG . . 4.360 2.237 1.837 2.718 . 0 0 "[ . 1 . 2]" 1
1091 1 68 THR HA 1 68 THR HB . . 2.400 2.436 2.364 2.480 0.080 17 0 "[ . 1 . 2]" 1
1092 1 68 THR HA 1 68 THR MG . . 2.970 3.010 2.176 3.179 0.209 8 0 "[ . 1 . 2]" 1
1093 1 68 THR HA 1 69 ARG H . . 3.230 2.403 2.067 3.356 0.126 19 0 "[ . 1 . 2]" 1
1094 1 68 THR HA 1 69 ARG QG . . 4.620 3.882 3.457 4.696 0.076 16 0 "[ . 1 . 2]" 1
1095 1 68 THR MG 1 69 ARG H . . 4.890 3.525 2.557 4.217 . 0 0 "[ . 1 . 2]" 1
1096 1 68 THR MG 1 69 ARG HA . . 5.060 4.218 3.492 5.305 0.245 19 0 "[ . 1 . 2]" 1
1097 1 69 ARG H 1 69 ARG QD . . 5.500 4.005 2.277 4.933 . 0 0 "[ . 1 . 2]" 1
1098 1 69 ARG H 1 69 ARG QG . . 4.490 2.688 1.986 3.624 . 0 0 "[ . 1 . 2]" 1
1099 1 69 ARG QB 1 69 ARG QD . . 3.420 2.309 2.076 2.796 . 0 0 "[ . 1 . 2]" 1
1100 1 70 ASN H 1 70 ASN QB . . 3.900 2.678 2.214 3.411 . 0 0 "[ . 1 . 2]" 1
1101 1 72 MET H 1 72 MET HB2 . . 3.960 2.898 2.494 3.754 . 0 0 "[ . 1 . 2]" 1
1102 1 72 MET H 1 72 MET HB3 . . 3.960 2.998 2.415 3.665 . 0 0 "[ . 1 . 2]" 1
1103 1 72 MET H 1 72 MET HG2 . . 5.330 4.097 2.121 4.895 . 0 0 "[ . 1 . 2]" 1
1104 1 72 MET H 1 72 MET QG . . 4.660 3.509 2.097 4.379 . 0 0 "[ . 1 . 2]" 1
1105 1 72 MET H 1 72 MET HG3 . . 5.330 4.000 2.470 5.105 . 0 0 "[ . 1 . 2]" 1
1106 1 72 MET QB 1 73 ILE H . . 4.410 3.530 2.602 4.036 . 0 0 "[ . 1 . 2]" 1
1107 1 73 ILE H 1 73 ILE HB . . 3.660 3.132 2.492 3.693 0.033 14 0 "[ . 1 . 2]" 1
1108 1 73 ILE H 1 73 ILE MD . . 4.630 3.815 3.149 4.500 . 0 0 "[ . 1 . 2]" 1
1109 1 73 ILE H 1 73 ILE HG12 . . 4.280 2.861 1.971 4.314 0.034 13 0 "[ . 1 . 2]" 1
1110 1 73 ILE H 1 73 ILE HG13 . . 4.280 3.065 2.149 4.391 0.111 13 0 "[ . 1 . 2]" 1
1111 1 73 ILE H 1 73 ILE MG . . 4.480 3.240 1.927 4.074 . 0 0 "[ . 1 . 2]" 1
1112 1 73 ILE H 1 74 GLN H . . 4.380 3.940 1.794 4.476 0.096 19 0 "[ . 1 . 2]" 1
1113 1 73 ILE HA 1 73 ILE MD . . 4.320 3.734 2.050 4.227 . 0 0 "[ . 1 . 2]" 1
1114 1 73 ILE HA 1 74 GLN H . . 3.130 2.216 2.036 3.204 0.074 11 0 "[ . 1 . 2]" 1
1115 1 73 ILE HB 1 74 GLN H . . 4.830 3.966 2.724 4.509 . 0 0 "[ . 1 . 2]" 1
1116 1 73 ILE MD 1 73 ILE MG . . 2.400 1.951 1.895 2.023 . 0 0 "[ . 1 . 2]" 1
1117 1 73 ILE QG 1 74 GLN H . . 5.340 4.169 2.832 4.810 . 0 0 "[ . 1 . 2]" 1
1118 1 73 ILE MG 1 74 GLN H . . 4.550 3.552 2.896 4.201 . 0 0 "[ . 1 . 2]" 1
1119 1 74 GLN H 1 74 GLN QB . . 3.640 2.752 2.443 3.349 . 0 0 "[ . 1 . 2]" 1
1120 1 74 GLN H 1 74 GLN QG . . 4.760 3.164 2.041 4.288 . 0 0 "[ . 1 . 2]" 1
1121 1 74 GLN QB 1 74 GLN QG . . 2.320 2.062 1.995 2.094 . 0 0 "[ . 1 . 2]" 1
1122 1 74 GLN HB2 1 74 GLN QG . . 2.710 2.316 2.148 2.403 . 0 0 "[ . 1 . 2]" 1
1123 1 74 GLN HB3 1 74 GLN QG . . 2.710 2.325 2.164 2.412 . 0 0 "[ . 1 . 2]" 1
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