NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382224 |
1jdq   |
5060 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jdq
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 838
_Distance_constraint_stats_list.Viol_count 1733
_Distance_constraint_stats_list.Viol_total 3441.881
_Distance_constraint_stats_list.Viol_max 0.999
_Distance_constraint_stats_list.Viol_rms 0.0568
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0993
_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 11 SER 0.420 0.050 8 0 "[ . 1 . 2]"
1 12 GLY 0.420 0.050 8 0 "[ . 1 . 2]"
1 13 LEU 0.030 0.022 7 0 "[ . 1 . 2]"
1 14 VAL 0.030 0.022 7 0 "[ . 1 . 2]"
1 16 ARG 5.832 0.749 20 2 "[ . 1 . - +]"
1 17 GLY 0.773 0.111 8 0 "[ . 1 . 2]"
1 18 SER 0.620 0.093 13 0 "[ . 1 . 2]"
1 19 HIS 1.211 0.093 13 0 "[ . 1 . 2]"
1 20 MET 0.591 0.059 8 0 "[ . 1 . 2]"
1 21 ALA 0.174 0.090 15 0 "[ . 1 . 2]"
1 22 LYS 2.987 0.492 1 0 "[ . 1 . 2]"
1 23 TYR 1.289 0.435 20 0 "[ . 1 . 2]"
1 24 GLN 1.051 0.525 12 1 "[ . 1 + . 2]"
1 25 VAL 1.910 0.450 7 0 "[ . 1 . 2]"
1 26 THR 1.250 0.294 16 0 "[ . 1 . 2]"
1 27 LYS 5.362 0.321 15 0 "[ . 1 . 2]"
1 28 THR 0.558 0.063 19 0 "[ . 1 . 2]"
1 29 LEU 2.144 0.111 17 0 "[ . 1 . 2]"
1 30 ASP 1.561 0.528 18 2 "[ . 1 - . + 2]"
1 31 VAL 5.290 0.999 6 4 "[ *.+ 1 . * -]"
1 32 ARG 1.946 0.132 16 0 "[ . 1 . 2]"
1 33 GLY 1.708 0.132 16 0 "[ . 1 . 2]"
1 34 GLU 1.853 0.515 17 1 "[ . 1 . + 2]"
1 35 VAL 9.723 0.797 20 2 "[ . 1 . - +]"
1 36 CYS 2.733 0.284 20 0 "[ . 1 . 2]"
1 37 PRO 0.199 0.034 1 0 "[ . 1 . 2]"
1 38 VAL 0.242 0.049 3 0 "[ . 1 . 2]"
1 39 PRO 0.001 0.001 17 0 "[ . 1 . 2]"
1 40 ASP 0.101 0.026 10 0 "[ . 1 . 2]"
1 41 VAL 2.353 0.660 10 2 "[ . + -. 2]"
1 42 GLU 0.504 0.083 20 0 "[ . 1 . 2]"
1 43 THR 1.913 0.235 5 0 "[ . 1 . 2]"
1 44 LYS 3.374 0.589 5 2 "[- + 1 . 2]"
1 45 ARG 13.987 0.806 6 9 "[ * -+ ** *.** *]"
1 46 ALA 0.691 0.051 11 0 "[ . 1 . 2]"
1 47 LEU 4.773 0.877 8 2 "[ - + 1 . 2]"
1 48 GLN 13.041 0.806 6 8 "[ * -+ ** *.* *]"
1 49 ASN 5.656 0.607 8 6 "[ -*. + 1 * . * *2]"
1 50 MET 25.280 0.932 2 12 "[ +-*. ** 1*** . ****]"
1 51 LYS 5.636 0.650 14 1 "[ . 1 +. 2]"
1 53 GLY 1.707 0.136 20 0 "[ . 1 . 2]"
1 54 GLU 3.956 0.136 20 0 "[ . 1 . 2]"
1 55 ILE 2.154 0.525 12 1 "[ . 1 + . 2]"
1 56 LEU 4.779 0.450 7 0 "[ . 1 . 2]"
1 57 GLU 1.015 0.091 16 0 "[ . 1 . 2]"
1 58 VAL 1.584 0.217 17 0 "[ . 1 . 2]"
1 59 TRP 2.134 0.315 18 0 "[ . 1 . 2]"
1 60 ILE 1.475 0.069 13 0 "[ . 1 . 2]"
1 61 ASP 0.162 0.041 12 0 "[ . 1 . 2]"
1 62 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 MET 6.086 0.450 7 0 "[ . 1 . 2]"
1 65 SER 0.360 0.062 17 0 "[ . 1 . 2]"
1 66 LYS 3.979 0.450 7 0 "[ . 1 . 2]"
1 67 GLU 2.351 0.185 2 0 "[ . 1 . 2]"
1 68 ARG 2.073 0.203 11 0 "[ . 1 . 2]"
1 69 ILE 2.990 0.150 8 0 "[ . 1 . 2]"
1 70 PRO 0.283 0.033 8 0 "[ . 1 . 2]"
1 71 GLU 15.614 0.877 8 8 "[*- ** + 1 . ***]"
1 72 THR 1.997 0.724 12 1 "[ . 1 + . 2]"
1 73 VAL 5.425 0.724 12 1 "[ . 1 + . 2]"
1 74 LYS 10.423 0.769 10 9 "[* * .*- *+* * . *]"
1 75 LYS 3.065 0.144 20 0 "[ . 1 . 2]"
1 76 LEU 8.571 0.710 9 2 "[ . +1 - . 2]"
1 77 GLY 2.406 0.432 9 0 "[ . 1 . 2]"
1 78 HIS 2.349 0.128 20 0 "[ . 1 . 2]"
1 79 GLU 5.486 0.312 18 0 "[ . 1 . 2]"
1 80 VAL 0.852 0.101 18 0 "[ . 1 . 2]"
1 81 LEU 6.262 0.589 5 2 "[- + 1 . 2]"
1 82 GLU 11.875 0.589 5 2 "[- + 1 . 2]"
1 83 ILE 1.590 0.312 1 0 "[ . 1 . 2]"
1 84 GLU 2.084 0.286 15 0 "[ . 1 . 2]"
1 85 GLU 2.284 0.515 17 1 "[ . 1 . + 2]"
1 86 VAL 1.293 0.515 17 1 "[ . 1 . + 2]"
1 87 GLY 0.867 0.371 20 0 "[ . 1 . 2]"
1 89 SER 1.402 0.112 17 0 "[ . 1 . 2]"
1 90 GLU 2.364 0.371 20 0 "[ . 1 . 2]"
1 91 TRP 1.618 0.105 9 0 "[ . 1 . 2]"
1 92 LYS 4.476 0.392 3 0 "[ . 1 . 2]"
1 93 ILE 3.022 0.392 3 0 "[ . 1 . 2]"
1 94 TYR 4.725 0.450 7 0 "[ . 1 . 2]"
1 95 ILE 1.326 0.130 18 0 "[ . 1 . 2]"
1 96 LYS 7.041 0.312 18 0 "[ . 1 . 2]"
1 97 VAL 7.394 0.709 19 6 "[ *. 1* - . * +*]"
1 98 LYS 0.056 0.017 14 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 11 SER H 1 12 GLY H 5.000 3.000 55.000 3.170 2.963 4.298 0.037 6 0 "[ . 1 . 2]" 1
2 1 11 SER HA 1 12 GLY H 5.000 3.000 55.000 3.342 2.950 3.573 0.050 8 0 "[ . 1 . 2]" 1
3 1 12 GLY H 1 13 LEU H 5.000 3.000 55.000 4.243 3.055 4.630 . 0 0 "[ . 1 . 2]" 1
4 1 12 GLY QA 1 13 LEU MD2 2.200 . 5.500 3.318 2.797 3.957 . 0 0 "[ . 1 . 2]" 1
5 1 12 GLY QA 1 13 LEU MD2 2.200 . 5.500 3.142 2.690 3.587 . 0 0 "[ . 1 . 2]" 1
6 1 13 LEU H 1 14 VAL H 5.000 3.000 55.000 3.996 2.978 4.627 0.022 7 0 "[ . 1 . 2]" 1
7 1 13 LEU HA 1 13 LEU QB 2.200 . 2.800 2.498 2.392 2.539 . 0 0 "[ . 1 . 2]" 1
8 1 13 LEU HA 1 13 LEU QD 2.100 . 2.700 2.167 1.767 2.594 . 0 0 "[ . 1 . 2]" 1
9 1 13 LEU HA 1 13 LEU QD 2.000 . 2.500 2.083 1.732 2.488 . 0 0 "[ . 1 . 2]" 1
10 1 13 LEU HB3 1 13 LEU QD 1.900 . 2.400 2.207 2.054 2.382 . 0 0 "[ . 1 . 2]" 1
11 1 13 LEU HB3 1 13 LEU QD 1.800 . 2.200 1.778 1.736 1.812 . 0 0 "[ . 1 . 2]" 1
12 1 14 VAL HB 1 14 VAL QG 1.800 . 2.200 1.609 1.600 1.625 . 0 0 "[ . 1 . 2]" 1
13 1 14 VAL HB 1 14 VAL QG 1.900 . 2.400 1.611 1.601 1.621 . 0 0 "[ . 1 . 2]" 1
14 1 14 VAL HB 1 14 VAL MG1 1.900 . 2.400 1.753 1.738 1.769 . 0 0 "[ . 1 . 2]" 1
15 1 14 VAL HB 1 14 VAL MG2 2.200 . 2.800 1.878 1.864 1.893 . 0 0 "[ . 1 . 2]" 1
16 1 14 VAL HB 1 14 VAL MG2 1.600 . 2.200 1.752 1.741 1.765 . 0 0 "[ . 1 . 2]" 1
17 1 14 VAL QG 1 16 ARG HD2 2.400 . 5.500 4.487 2.444 5.459 . 0 0 "[ . 1 . 2]" 1
18 1 14 VAL MG2 1 16 ARG HG3 2.300 . 5.500 3.213 1.760 4.000 . 0 0 "[ . 1 . 2]" 1
19 1 16 ARG H 1 17 GLY H 5.000 3.000 55.000 3.176 2.889 4.257 0.111 8 0 "[ . 1 . 2]" 1
20 1 16 ARG HA 1 16 ARG HB2 2.200 . 2.800 2.858 2.494 3.025 0.225 17 0 "[ . 1 . 2]" 1
21 1 16 ARG HA 1 16 ARG HB3 2.200 . 2.800 2.412 2.178 2.612 . 0 0 "[ . 1 . 2]" 1
22 1 16 ARG HA 1 17 GLY H 5.000 3.000 55.000 3.135 2.920 3.573 0.080 13 0 "[ . 1 . 2]" 1
23 1 16 ARG HB2 1 16 ARG HD3 1.900 . 2.400 2.271 1.813 3.149 0.749 20 2 "[ . 1 . - +]" 1
24 1 16 ARG HB3 1 16 ARG HD3 2.400 . 3.100 2.237 1.824 2.991 . 0 0 "[ . 1 . 2]" 1
25 1 16 ARG HD2 1 16 ARG HG2 2.000 . 2.500 1.935 1.866 2.007 . 0 0 "[ . 1 . 2]" 1
26 1 17 GLY H 1 18 SER H 5.000 3.000 55.000 4.113 3.005 4.627 . 0 0 "[ . 1 . 2]" 1
27 1 18 SER H 1 19 HIS H 5.000 3.000 55.000 3.335 2.949 4.268 0.051 10 0 "[ . 1 . 2]" 1
28 1 18 SER HA 1 18 SER QB 2.200 . 2.800 2.389 2.162 2.544 . 0 0 "[ . 1 . 2]" 1
29 1 18 SER HA 1 19 HIS H 5.000 3.000 55.000 3.199 2.907 3.575 0.093 13 0 "[ . 1 . 2]" 1
30 1 19 HIS H 1 20 MET H 5.000 3.000 55.000 3.249 2.949 4.263 0.051 9 0 "[ . 1 . 2]" 1
31 1 19 HIS HA 1 20 MET H 5.000 3.000 55.000 3.253 2.941 3.571 0.059 8 0 "[ . 1 . 2]" 1
32 1 20 MET HA 1 21 ALA H 2.700 . 3.600 2.815 2.141 3.574 . 0 0 "[ . 1 . 2]" 1
33 1 21 ALA H 1 21 ALA MB 2.700 . 3.600 2.141 2.026 2.295 . 0 0 "[ . 1 . 2]" 1
34 1 21 ALA HA 1 21 ALA MB 1.700 . 2.200 2.002 1.966 2.037 . 0 0 "[ . 1 . 2]" 1
35 1 21 ALA HA 1 22 LYS H 2.300 . 2.900 2.431 2.155 2.693 . 0 0 "[ . 1 . 2]" 1
36 1 21 ALA HA 1 22 LYS QE 2.300 . 5.500 4.860 3.897 5.481 . 0 0 "[ . 1 . 2]" 1
37 1 21 ALA MB 1 22 LYS H 2.900 . 4.000 2.622 1.898 3.718 . 0 0 "[ . 1 . 2]" 1
38 1 21 ALA MB 1 23 TYR H 2.900 . 4.000 3.304 2.300 4.090 0.090 15 0 "[ . 1 . 2]" 1
39 1 22 LYS H 1 22 LYS HA 3.000 . 4.100 2.900 2.833 2.915 . 0 0 "[ . 1 . 2]" 1
40 1 22 LYS H 1 22 LYS HB2 2.600 . 5.500 2.604 2.119 3.510 . 0 0 "[ . 1 . 2]" 1
41 1 22 LYS H 1 22 LYS HD2 3.500 . 5.000 4.127 2.617 5.236 0.236 1 0 "[ . 1 . 2]" 1
42 1 22 LYS H 1 23 TYR H 2.800 . 3.800 3.419 2.696 3.836 0.036 8 0 "[ . 1 . 2]" 1
43 1 22 LYS HA 1 22 LYS HB2 2.400 . 3.100 2.983 2.667 3.024 . 0 0 "[ . 1 . 2]" 1
44 1 22 LYS HA 1 22 LYS HB3 2.400 . 3.100 2.441 2.284 2.727 . 0 0 "[ . 1 . 2]" 1
45 1 22 LYS HA 1 22 LYS QG 2.500 . 3.300 2.557 2.150 3.262 . 0 0 "[ . 1 . 2]" 1
46 1 22 LYS HA 1 23 TYR H 2.300 . 2.900 2.690 2.352 3.335 0.435 20 0 "[ . 1 . 2]" 1
47 1 22 LYS HB2 1 22 LYS QD 2.100 . 2.700 2.437 1.992 3.192 0.492 1 0 "[ . 1 . 2]" 1
48 1 22 LYS HB2 1 22 LYS QG 1.800 . 2.200 2.102 1.963 2.218 0.018 12 0 "[ . 1 . 2]" 1
49 1 22 LYS HB2 1 22 LYS HG3 2.100 . 2.700 1.870 1.793 1.939 . 0 0 "[ . 1 . 2]" 1
50 1 22 LYS HB2 1 23 TYR H 2.800 . 5.500 4.086 1.523 4.559 . 0 0 "[ . 1 . 2]" 1
51 1 22 LYS HB3 1 22 LYS QE 1.900 . 5.500 3.836 2.615 4.312 . 0 0 "[ . 1 . 2]" 1
52 1 22 LYS HB3 1 22 LYS QG 2.000 . 2.500 2.301 2.143 2.522 0.022 16 0 "[ . 1 . 2]" 1
53 1 22 LYS HB3 1 22 LYS HG2 2.100 . 2.700 1.814 1.788 1.852 . 0 0 "[ . 1 . 2]" 1
54 1 22 LYS HB3 1 22 LYS HG2 2.000 . 2.500 1.766 1.696 1.821 . 0 0 "[ . 1 . 2]" 1
55 1 22 LYS HD2 1 22 LYS HE2 2.400 . 3.100 2.239 2.026 2.374 . 0 0 "[ . 1 . 2]" 1
56 1 22 LYS QD 1 22 LYS HG2 1.800 . 2.200 1.906 1.854 1.981 . 0 0 "[ . 1 . 2]" 1
57 1 22 LYS QE 1 22 LYS HG2 2.000 . 2.500 2.326 1.987 2.942 0.442 10 0 "[ . 1 . 2]" 1
58 1 22 LYS QG 1 23 TYR H 3.700 . 5.400 4.374 3.491 4.614 . 0 0 "[ . 1 . 2]" 1
59 1 23 TYR H 1 23 TYR QB 3.200 . 3.400 2.426 2.114 2.927 . 0 0 "[ . 1 . 2]" 1
60 1 23 TYR H 1 23 TYR QD 3.500 . 5.000 3.105 2.460 4.110 . 0 0 "[ . 1 . 2]" 1
61 1 23 TYR H 1 24 GLN H 5.000 3.000 55.000 3.809 2.989 4.606 0.011 13 0 "[ . 1 . 2]" 1
62 1 23 TYR HA 1 24 GLN H 2.400 . 3.100 2.491 2.137 2.887 . 0 0 "[ . 1 . 2]" 1
63 1 23 TYR HA 1 55 ILE MG 1.900 . 5.500 3.164 2.400 3.687 . 0 0 "[ . 1 . 2]" 1
64 1 23 TYR QB 1 24 GLN H 3.200 . 4.500 3.503 1.869 4.025 0.031 19 0 "[ . 1 . 2]" 1
65 1 23 TYR QB 1 25 VAL QG 2.400 . 5.500 3.739 1.965 5.177 . 0 0 "[ . 1 . 2]" 1
66 1 23 TYR QD 1 24 GLN H 3.500 . 5.000 4.213 2.440 4.996 . 0 0 "[ . 1 . 2]" 1
67 1 24 GLN H 1 24 GLN HB2 2.900 . 4.000 2.260 2.097 2.493 . 0 0 "[ . 1 . 2]" 1
68 1 24 GLN H 1 24 GLN HB3 3.000 . 4.100 3.200 2.858 3.514 . 0 0 "[ . 1 . 2]" 1
69 1 24 GLN H 1 24 GLN QG 3.000 . 4.100 3.715 3.235 4.036 . 0 0 "[ . 1 . 2]" 1
70 1 24 GLN H 1 25 VAL H 5.000 3.000 55.000 3.972 3.472 4.615 . 0 0 "[ . 1 . 2]" 1
71 1 24 GLN H 1 55 ILE MG 3.300 . 4.700 4.229 3.340 4.732 0.032 19 0 "[ . 1 . 2]" 1
72 1 24 GLN HA 1 24 GLN QG 1.700 . 2.200 2.072 1.997 2.165 . 0 0 "[ . 1 . 2]" 1
73 1 24 GLN HA 1 25 VAL H 2.000 . 2.500 2.369 2.137 2.773 0.273 19 0 "[ . 1 . 2]" 1
74 1 24 GLN HA 1 25 VAL HA 2.200 . 5.500 3.861 3.729 3.995 . 0 0 "[ . 1 . 2]" 1
75 1 24 GLN HA 1 55 ILE MG 2.300 . 3.000 2.839 2.303 3.525 0.525 12 1 "[ . 1 + . 2]" 1
76 1 24 GLN QB 1 24 GLN QG 1.800 . 2.200 1.891 1.846 1.948 . 0 0 "[ . 1 . 2]" 1
77 1 24 GLN HB2 1 24 GLN QG 2.000 . 2.500 2.031 1.908 2.171 . 0 0 "[ . 1 . 2]" 1
78 1 25 VAL H 1 25 VAL HA 3.000 . 4.100 2.853 2.728 2.898 . 0 0 "[ . 1 . 2]" 1
79 1 25 VAL H 1 25 VAL HB 2.300 . 3.000 2.559 2.446 2.677 . 0 0 "[ . 1 . 2]" 1
80 1 25 VAL H 1 25 VAL QG 3.100 . 3.100 2.217 1.883 2.416 0.017 19 0 "[ . 1 . 2]" 1
81 1 25 VAL H 1 26 THR H 5.000 3.000 55.000 4.590 4.541 4.641 . 0 0 "[ . 1 . 2]" 1
82 1 25 VAL HA 1 25 VAL HB 2.200 . 2.800 2.781 2.306 2.914 0.114 12 0 "[ . 1 . 2]" 1
83 1 25 VAL HA 1 25 VAL QG 1.900 . 2.400 2.110 2.029 2.400 . 0 0 "[ . 1 . 2]" 1
84 1 25 VAL HA 1 25 VAL QG 2.300 . 3.000 2.056 1.949 2.311 . 0 0 "[ . 1 . 2]" 1
85 1 25 VAL HA 1 26 THR H 2.200 . 2.800 2.220 2.152 2.312 . 0 0 "[ . 1 . 2]" 1
86 1 25 VAL HA 1 26 THR HA 2.300 . 5.500 4.373 4.361 4.402 . 0 0 "[ . 1 . 2]" 1
87 1 25 VAL HA 1 27 LYS H 3.400 . 4.800 4.451 4.077 4.809 0.009 4 0 "[ . 1 . 2]" 1
88 1 25 VAL HA 1 55 ILE HB 1.800 . 2.200 2.092 1.846 2.199 . 0 0 "[ . 1 . 2]" 1
89 1 25 VAL HA 1 55 ILE HA 2.900 . 5.500 4.702 3.967 4.950 . 0 0 "[ . 1 . 2]" 1
90 1 25 VAL HB 1 25 VAL QG 1.800 . 2.200 1.875 1.860 1.895 . 0 0 "[ . 1 . 2]" 1
91 1 25 VAL QG 1 26 THR H 3.200 . 3.600 2.156 1.790 2.613 0.110 12 0 "[ . 1 . 2]" 1
92 1 25 VAL QG 1 26 THR HA 2.400 . 5.500 3.634 3.409 3.758 . 0 0 "[ . 1 . 2]" 1
93 1 25 VAL QG 1 27 LYS H 2.500 . 3.300 2.842 2.248 3.199 . 0 0 "[ . 1 . 2]" 1
94 1 25 VAL QG 1 94 TYR HB2 2.400 . 5.500 5.287 5.054 5.429 . 0 0 "[ . 1 . 2]" 1
95 1 25 VAL QG 1 56 LEU HA 1.800 . 2.200 1.924 1.595 2.158 . 0 0 "[ . 1 . 2]" 1
96 1 25 VAL QG 1 94 TYR HB2 2.500 . 5.500 5.367 4.825 5.950 0.450 7 0 "[ . 1 . 2]" 1
97 1 26 THR H 1 26 THR HA 3.000 . 4.100 2.930 2.923 2.944 . 0 0 "[ . 1 . 2]" 1
98 1 26 THR H 1 26 THR HB 2.600 . 3.400 2.934 2.685 3.153 . 0 0 "[ . 1 . 2]" 1
99 1 26 THR H 1 26 THR MG 3.200 . 4.500 3.770 3.645 3.842 . 0 0 "[ . 1 . 2]" 1
100 1 26 THR H 1 27 LYS H 2.400 . 3.100 2.417 2.085 2.661 . 0 0 "[ . 1 . 2]" 1
101 1 26 THR H 1 55 ILE H 2.700 . 3.700 3.572 3.132 3.737 0.037 12 0 "[ . 1 . 2]" 1
102 1 26 THR H 1 55 ILE H 3.000 . 4.100 3.304 2.784 3.482 . 0 0 "[ . 1 . 2]" 1
103 1 26 THR H 1 55 ILE HB 2.500 . 3.300 2.830 1.816 3.446 0.146 16 0 "[ . 1 . 2]" 1
104 1 26 THR H 1 56 LEU QD 3.000 . 4.100 3.399 1.606 4.029 0.294 16 0 "[ . 1 . 2]" 1
105 1 26 THR HA 1 26 THR MG 1.700 . 2.200 2.129 2.007 2.208 0.008 6 0 "[ . 1 . 2]" 1
106 1 26 THR HA 1 27 LYS H 2.800 . 3.600 3.573 3.535 3.587 . 0 0 "[ . 1 . 2]" 1
107 1 26 THR HA 1 55 ILE MD 2.300 . 5.500 4.488 3.488 5.138 . 0 0 "[ . 1 . 2]" 1
108 1 26 THR HB 1 26 THR MG 1.800 . 2.200 2.085 2.070 2.117 . 0 0 "[ . 1 . 2]" 1
109 1 26 THR HB 1 27 LYS HB2 2.300 . 3.000 2.920 2.731 3.020 0.020 11 0 "[ . 1 . 2]" 1
110 1 26 THR HB 1 27 LYS HB3 2.200 . 5.500 3.135 2.768 3.332 . 0 0 "[ . 1 . 2]" 1
111 1 26 THR HB 1 54 GLU QG 1.900 . 5.500 4.487 3.760 5.045 . 0 0 "[ . 1 . 2]" 1
112 1 26 THR HB 1 54 GLU QG 2.500 . 5.500 4.610 3.812 5.102 . 0 0 "[ . 1 . 2]" 1
113 1 26 THR HB 1 55 ILE H 3.200 . 4.500 3.532 2.873 4.063 . 0 0 "[ . 1 . 2]" 1
114 1 26 THR HB 1 56 LEU QD 1.900 . 2.400 2.076 1.559 2.346 . 0 0 "[ . 1 . 2]" 1
115 1 26 THR HB 1 56 LEU QD 2.500 . 3.300 2.554 1.609 2.886 0.091 11 0 "[ . 1 . 2]" 1
116 1 26 THR MG 1 27 LYS H 3.300 . 4.700 3.430 3.174 3.604 . 0 0 "[ . 1 . 2]" 1
117 1 27 LYS H 1 27 LYS HB2 2.700 . 3.600 2.576 2.300 2.894 . 0 0 "[ . 1 . 2]" 1
118 1 27 LYS H 1 54 GLU HB3 3.000 . 5.500 5.542 5.509 5.592 0.092 16 0 "[ . 1 . 2]" 1
119 1 27 LYS H 1 56 LEU HA 3.000 . 4.100 2.935 2.664 3.313 . 0 0 "[ . 1 . 2]" 1
120 1 27 LYS H 1 56 LEU QD 3.300 . 4.700 2.251 1.584 2.893 0.316 16 0 "[ . 1 . 2]" 1
121 1 27 LYS H 1 57 GLU H 3.500 2.500 4.500 4.524 4.495 4.551 0.051 10 0 "[ . 1 . 2]" 1
122 1 27 LYS HA 1 27 LYS HB2 1.900 . 2.400 2.270 2.137 2.372 . 0 0 "[ . 1 . 2]" 1
123 1 27 LYS HA 1 27 LYS HB3 2.000 . 2.500 2.309 2.192 2.388 . 0 0 "[ . 1 . 2]" 1
124 1 27 LYS HA 1 27 LYS QG 2.000 . 2.500 2.161 2.000 2.491 . 0 0 "[ . 1 . 2]" 1
125 1 27 LYS HA 1 28 THR H 2.100 . 2.700 2.313 2.156 2.470 . 0 0 "[ . 1 . 2]" 1
126 1 27 LYS HA 1 56 LEU QD 2.900 . 4.000 2.782 2.279 3.275 . 0 0 "[ . 1 . 2]" 1
127 1 27 LYS HB2 1 27 LYS HG3 2.100 . 2.700 2.169 2.132 2.347 . 0 0 "[ . 1 . 2]" 1
128 1 27 LYS HB2 1 27 LYS QG 1.800 . 2.200 2.241 2.129 2.521 0.321 15 0 "[ . 1 . 2]" 1
129 1 27 LYS HB2 1 56 LEU QD 1.900 . 2.400 1.945 1.592 2.407 0.007 9 0 "[ . 1 . 2]" 1
130 1 27 LYS HB2 1 56 LEU QD 1.600 . 2.200 1.786 1.544 1.993 . 0 0 "[ . 1 . 2]" 1
131 1 27 LYS HB2 1 56 LEU QD 1.700 . 2.200 1.932 1.610 2.138 . 0 0 "[ . 1 . 2]" 1
132 1 27 LYS HB3 1 27 LYS HD2 1.700 . 2.200 2.020 1.842 2.421 0.221 14 0 "[ . 1 . 2]" 1
133 1 27 LYS HB3 1 27 LYS HD2 1.800 . 2.200 2.116 1.836 2.503 0.303 13 0 "[ . 1 . 2]" 1
134 1 27 LYS HB3 1 56 LEU QD 2.200 . 2.800 2.126 1.771 2.704 . 0 0 "[ . 1 . 2]" 1
135 1 27 LYS QD 1 28 THR H 2.900 . 4.000 3.181 1.882 4.013 0.013 12 0 "[ . 1 . 2]" 1
136 1 27 LYS QG 1 28 THR HB 2.300 . 5.500 4.533 4.014 5.112 . 0 0 "[ . 1 . 2]" 1
137 1 27 LYS O 1 57 GLU H 2.000 . 2.500 2.292 2.090 2.591 0.091 16 0 "[ . 1 . 2]" 1
138 1 28 THR H 1 28 THR HB 2.500 . 3.300 2.744 2.579 2.839 . 0 0 "[ . 1 . 2]" 1
139 1 28 THR H 1 28 THR MG 2.600 . 5.500 3.908 3.840 3.949 . 0 0 "[ . 1 . 2]" 1
140 1 28 THR H 1 56 LEU QB 2.900 . 5.500 5.048 4.036 5.563 0.063 19 0 "[ . 1 . 2]" 1
141 1 28 THR H 1 56 LEU QD 3.500 . 5.000 4.395 3.977 4.821 . 0 0 "[ . 1 . 2]" 1
142 1 28 THR HA 1 28 THR MG 1.900 . 2.400 2.402 2.358 2.447 0.047 9 0 "[ . 1 . 2]" 1
143 1 28 THR HA 1 29 LEU H 2.000 . 2.500 2.165 2.134 2.292 . 0 0 "[ . 1 . 2]" 1
144 1 28 THR HA 1 56 LEU QD 2.600 . 5.500 3.232 3.037 3.590 . 0 0 "[ . 1 . 2]" 1
145 1 28 THR HA 1 57 GLU H 2.900 . 4.000 2.409 2.002 2.921 . 0 0 "[ . 1 . 2]" 1
146 1 28 THR HB 1 28 THR MG 1.700 . 2.200 2.104 2.069 2.117 . 0 0 "[ . 1 . 2]" 1
147 1 28 THR HB 1 29 LEU H 3.500 . 5.000 4.215 3.750 4.383 . 0 0 "[ . 1 . 2]" 1
148 1 28 THR MG 1 29 LEU H 2.400 . 3.100 2.762 2.138 3.093 . 0 0 "[ . 1 . 2]" 1
149 1 28 THR MG 1 57 GLU QG 1.800 . 2.200 1.765 1.642 1.843 . 0 0 "[ . 1 . 2]" 1
150 1 28 THR MG 1 30 ASP H 3.000 . 4.100 4.038 3.650 4.129 0.029 3 0 "[ . 1 . 2]" 1
151 1 28 THR MG 1 30 ASP HB3 2.300 . 5.500 3.607 3.059 4.399 . 0 0 "[ . 1 . 2]" 1
152 1 28 THR MG 1 57 GLU H 3.100 . 4.300 3.263 3.054 3.551 . 0 0 "[ . 1 . 2]" 1
153 1 28 THR MG 1 57 GLU QG 2.100 . 2.700 2.400 1.798 2.684 . 0 0 "[ . 1 . 2]" 1
154 1 28 THR MG 1 57 GLU QG 2.000 . 2.500 1.959 1.699 2.050 . 0 0 "[ . 1 . 2]" 1
155 1 29 LEU H 1 29 LEU HB3 2.500 . 3.300 2.692 2.598 2.934 . 0 0 "[ . 1 . 2]" 1
156 1 29 LEU H 1 29 LEU HG 3.200 . 4.500 4.523 4.395 4.586 0.086 5 0 "[ . 1 . 2]" 1
157 1 29 LEU H 1 56 LEU QD 2.700 . 5.500 4.549 3.542 5.286 . 0 0 "[ . 1 . 2]" 1
158 1 29 LEU H 1 57 GLU H 3.300 2.300 4.300 3.508 2.837 3.934 . 0 0 "[ . 1 . 2]" 1
159 1 29 LEU H 1 57 GLU O 2.000 . 2.500 2.009 1.835 2.186 . 0 0 "[ . 1 . 2]" 1
160 1 29 LEU H 1 58 VAL HA 2.900 . 4.000 2.962 2.547 3.310 . 0 0 "[ . 1 . 2]" 1
161 1 29 LEU H 1 58 VAL QG 2.700 . 3.600 3.431 3.087 3.711 0.111 17 0 "[ . 1 . 2]" 1
162 1 29 LEU H 1 59 TRP H 3.300 2.300 4.300 4.347 4.231 4.401 0.101 10 0 "[ . 1 . 2]" 1
163 1 29 LEU HA 1 29 LEU HB2 2.000 . 2.500 2.075 2.043 2.129 . 0 0 "[ . 1 . 2]" 1
164 1 29 LEU HA 1 29 LEU QD 2.800 . 3.800 2.808 2.094 3.043 . 0 0 "[ . 1 . 2]" 1
165 1 29 LEU HA 1 29 LEU QD 1.700 . 5.500 2.696 2.078 2.973 . 0 0 "[ . 1 . 2]" 1
166 1 29 LEU HA 1 29 LEU HG 2.100 . 2.700 2.422 2.153 2.747 0.047 8 0 "[ . 1 . 2]" 1
167 1 29 LEU HA 1 29 LEU HG 2.100 . 2.700 2.285 2.042 2.616 . 0 0 "[ . 1 . 2]" 1
168 1 29 LEU HA 1 30 ASP H 2.000 . 2.500 2.141 2.126 2.177 . 0 0 "[ . 1 . 2]" 1
169 1 29 LEU HA 1 30 ASP HB3 1.900 . 5.500 4.971 4.528 5.323 . 0 0 "[ . 1 . 2]" 1
170 1 29 LEU HB2 1 29 LEU QD 1.800 . 2.200 1.838 1.774 1.898 . 0 0 "[ . 1 . 2]" 1
171 1 29 LEU HB3 1 29 LEU QD 2.100 . 2.700 1.858 1.774 1.965 . 0 0 "[ . 1 . 2]" 1
172 1 29 LEU HB3 1 58 VAL HA 1.900 . 5.500 2.596 2.001 2.853 . 0 0 "[ . 1 . 2]" 1
173 1 29 LEU HB3 1 58 VAL QG 1.700 . 2.200 1.724 1.583 2.014 . 0 0 "[ . 1 . 2]" 1
174 1 29 LEU HB3 1 59 TRP H 3.100 . 4.300 4.026 2.689 4.319 0.019 3 0 "[ . 1 . 2]" 1
175 1 29 LEU QD 1 29 LEU HG 1.800 . 2.200 1.879 1.870 1.891 . 0 0 "[ . 1 . 2]" 1
176 1 29 LEU QD 1 29 LEU HG 1.800 . 2.200 1.668 1.659 1.685 . 0 0 "[ . 1 . 2]" 1
177 1 29 LEU QD 1 30 ASP H 2.500 . 3.300 3.247 3.220 3.297 . 0 0 "[ . 1 . 2]" 1
178 1 29 LEU QD 1 30 ASP HB2 2.100 . 5.500 4.392 4.103 4.669 . 0 0 "[ . 1 . 2]" 1
179 1 29 LEU QD 1 43 THR HA 2.500 . 3.300 2.778 1.749 3.291 . 0 0 "[ . 1 . 2]" 1
180 1 29 LEU HG 1 30 ASP H 3.400 . 4.800 3.138 2.755 3.704 . 0 0 "[ . 1 . 2]" 1
181 1 29 LEU HG 1 31 VAL H 3.600 . 5.200 5.018 3.909 5.224 0.024 9 0 "[ . 1 . 2]" 1
182 1 29 LEU HG 1 58 VAL HA 2.800 . 5.500 4.229 3.917 4.513 . 0 0 "[ . 1 . 2]" 1
183 1 29 LEU O 1 59 TRP H 2.000 . 2.500 2.051 1.829 2.491 . 0 0 "[ . 1 . 2]" 1
184 1 30 ASP H 1 30 ASP HB3 2.500 . 5.500 3.363 2.609 3.742 . 0 0 "[ . 1 . 2]" 1
185 1 30 ASP HA 1 30 ASP HB2 2.500 . 3.300 2.636 2.420 2.829 . 0 0 "[ . 1 . 2]" 1
186 1 30 ASP HA 1 30 ASP HB3 2.000 . 2.500 2.381 2.238 3.028 0.528 18 2 "[ . 1 - . + 2]" 1
187 1 30 ASP HA 1 31 VAL H 2.200 . 2.800 2.156 2.132 2.270 . 0 0 "[ . 1 . 2]" 1
188 1 30 ASP HA 1 31 VAL MG2 2.400 . 3.100 2.922 2.660 3.150 0.050 4 0 "[ . 1 . 2]" 1
189 1 30 ASP HA 1 32 ARG H 3.600 . 5.200 4.304 3.435 4.751 . 0 0 "[ . 1 . 2]" 1
190 1 30 ASP HA 1 59 TRP H 2.900 . 4.000 2.758 2.429 3.320 . 0 0 "[ . 1 . 2]" 1
191 1 30 ASP HB2 1 31 VAL HA 2.200 . 5.500 3.805 3.571 3.924 . 0 0 "[ . 1 . 2]" 1
192 1 30 ASP HB3 1 31 VAL H 3.200 . 4.500 4.165 3.806 4.409 . 0 0 "[ . 1 . 2]" 1
193 1 30 ASP HB3 1 59 TRP H 2.700 . 5.500 4.121 3.162 5.815 0.315 18 0 "[ . 1 . 2]" 1
194 1 30 ASP HB3 1 92 LYS HD2 2.000 . 5.500 3.597 2.661 4.197 . 0 0 "[ . 1 . 2]" 1
195 1 31 VAL H 1 31 VAL MG2 2.200 . 2.800 2.023 1.638 2.502 . 0 0 "[ . 1 . 2]" 1
196 1 31 VAL H 1 32 ARG H 2.500 . 3.300 3.046 1.905 3.351 0.051 18 0 "[ . 1 . 2]" 1
197 1 31 VAL H 1 59 TRP H 3.000 . 4.000 3.956 3.537 4.045 0.045 15 0 "[ . 1 . 2]" 1
198 1 31 VAL H 1 59 TRP O 2.000 . 2.500 2.517 2.325 2.559 0.059 17 0 "[ . 1 . 2]" 1
199 1 31 VAL HA 1 31 VAL MG1 1.800 . 2.200 2.297 1.914 3.199 0.999 6 4 "[ *.+ 1 . * -]" 1
200 1 31 VAL HA 1 31 VAL MG1 2.300 . 3.000 2.153 1.859 2.833 . 0 0 "[ . 1 . 2]" 1
201 1 31 VAL HA 1 32 ARG H 2.600 . 3.400 2.607 2.354 3.450 0.050 13 0 "[ . 1 . 2]" 1
202 1 31 VAL QG 1 32 ARG H 3.200 . 4.500 3.606 3.396 3.751 . 0 0 "[ . 1 . 2]" 1
203 1 31 VAL MG1 1 38 VAL HB 1.600 . 5.500 3.326 2.771 4.164 . 0 0 "[ . 1 . 2]" 1
204 1 32 ARG H 1 33 GLY H 5.000 3.000 55.000 3.474 2.880 4.550 0.120 13 0 "[ . 1 . 2]" 1
205 1 32 ARG H 1 60 ILE MG 3.300 . 4.700 3.843 2.604 4.616 . 0 0 "[ . 1 . 2]" 1
206 1 32 ARG HA 1 33 GLY H 2.600 . 3.400 3.307 2.640 3.532 0.132 16 0 "[ . 1 . 2]" 1
207 1 32 ARG HA 1 61 ASP H 3.500 . 5.000 4.475 3.261 5.032 0.032 13 0 "[ . 1 . 2]" 1
208 1 33 GLY H 1 33 GLY HA2 2.600 . 3.400 2.857 2.793 2.896 . 0 0 "[ . 1 . 2]" 1
209 1 33 GLY H 1 33 GLY HA3 2.300 . 3.000 2.309 2.294 2.326 . 0 0 "[ . 1 . 2]" 1
210 1 33 GLY H 1 34 GLU H 3.100 . 4.300 3.993 2.831 4.372 0.072 15 0 "[ . 1 . 2]" 1
211 1 33 GLY QA 1 34 GLU H 3.000 . 4.000 2.257 2.138 2.929 . 0 0 "[ . 1 . 2]" 1
212 1 33 GLY HA2 1 34 GLU H 3.500 . 5.000 2.572 2.179 3.525 . 0 0 "[ . 1 . 2]" 1
213 1 33 GLY HA3 1 34 GLU H 3.000 . 4.100 3.101 2.162 3.533 . 0 0 "[ . 1 . 2]" 1
214 1 34 GLU H 1 34 GLU QB 2.500 . 3.300 2.474 2.102 2.820 . 0 0 "[ . 1 . 2]" 1
215 1 34 GLU H 1 34 GLU QG 2.400 . 3.100 2.721 2.057 3.332 0.232 15 0 "[ . 1 . 2]" 1
216 1 34 GLU H 1 35 VAL H 5.000 3.000 55.000 4.392 2.935 4.592 0.065 14 0 "[ . 1 . 2]" 1
217 1 34 GLU HA 1 34 GLU QB 2.000 . 2.500 2.271 2.148 2.511 0.011 19 0 "[ . 1 . 2]" 1
218 1 34 GLU HA 1 35 VAL H 2.400 . 3.100 2.525 2.102 3.025 . 0 0 "[ . 1 . 2]" 1
219 1 34 GLU HA 1 35 VAL HA 2.000 . 5.500 3.797 3.583 3.968 . 0 0 "[ . 1 . 2]" 1
220 1 34 GLU HA 1 35 VAL MG2 2.200 . 2.800 2.802 2.617 3.315 0.515 17 1 "[ . 1 . + 2]" 1
221 1 34 GLU QB 1 34 GLU HG2 1.900 . 2.400 2.106 2.070 2.127 . 0 0 "[ . 1 . 2]" 1
222 1 34 GLU QB 1 35 VAL H 3.100 . 4.300 2.482 1.859 4.018 0.041 16 0 "[ . 1 . 2]" 1
223 1 34 GLU QG 1 35 VAL H 2.600 . 3.400 3.064 2.395 3.376 . 0 0 "[ . 1 . 2]" 1
224 1 34 GLU QG 1 35 VAL HA 1.700 . 5.500 2.640 2.388 2.901 . 0 0 "[ . 1 . 2]" 1
225 1 34 GLU QG 1 35 VAL HA 2.500 . 3.300 2.933 2.681 3.224 . 0 0 "[ . 1 . 2]" 1
226 1 35 VAL H 1 35 VAL HB 3.300 . 4.700 3.337 2.853 3.838 . 0 0 "[ . 1 . 2]" 1
227 1 35 VAL H 1 35 VAL MG1 2.800 . 5.500 3.580 1.839 3.954 . 0 0 "[ . 1 . 2]" 1
228 1 35 VAL H 1 35 VAL MG2 2.300 . 3.000 2.235 1.671 3.797 0.797 20 1 "[ . 1 . +]" 1
229 1 35 VAL H 1 36 CYS H 5.000 3.000 55.000 3.678 2.955 4.464 0.045 12 0 "[ . 1 . 2]" 1
230 1 35 VAL HA 1 35 VAL HB 2.100 . 2.700 2.766 2.204 2.968 0.268 19 0 "[ . 1 . 2]" 1
231 1 35 VAL HA 1 35 VAL MG1 2.200 . 2.800 2.140 1.886 3.097 0.297 20 0 "[ . 1 . 2]" 1
232 1 35 VAL HA 1 35 VAL MG2 2.200 . 2.800 2.853 2.470 3.135 0.335 11 0 "[ . 1 . 2]" 1
233 1 35 VAL HA 1 35 VAL MG2 2.600 . 3.400 2.147 1.738 2.416 0.062 17 0 "[ . 1 . 2]" 1
234 1 35 VAL HA 1 36 CYS H 2.500 . 3.300 3.064 2.216 3.487 0.187 12 0 "[ . 1 . 2]" 1
235 1 35 VAL HA 1 38 VAL HB 2.000 . 5.500 4.680 3.005 5.517 0.017 12 0 "[ . 1 . 2]" 1
236 1 35 VAL HB 1 35 VAL MG1 1.600 . 2.200 1.849 1.766 1.889 . 0 0 "[ . 1 . 2]" 1
237 1 35 VAL HB 1 35 VAL MG1 1.900 . 2.400 1.752 1.739 1.766 . 0 0 "[ . 1 . 2]" 1
238 1 35 VAL HB 1 35 VAL MG2 2.000 . 2.500 1.652 1.615 1.675 . 0 0 "[ . 1 . 2]" 1
239 1 35 VAL HB 1 35 VAL MG2 2.100 . 2.700 1.819 1.748 1.861 . 0 0 "[ . 1 . 2]" 1
240 1 35 VAL HB 1 36 CYS H 2.500 . 3.300 2.034 1.630 3.436 0.136 20 0 "[ . 1 . 2]" 1
241 1 35 VAL MG1 1 35 VAL MG2 2.000 . 2.500 2.011 1.886 2.096 . 0 0 "[ . 1 . 2]" 1
242 1 35 VAL MG1 1 35 VAL MG2 2.000 . 2.500 1.792 1.692 1.866 . 0 0 "[ . 1 . 2]" 1
243 1 35 VAL MG1 1 35 VAL MG2 1.600 . 2.200 1.796 1.728 1.847 . 0 0 "[ . 1 . 2]" 1
244 1 35 VAL MG1 1 36 CYS H 3.100 . 4.300 2.838 1.616 4.276 0.284 20 0 "[ . 1 . 2]" 1
245 1 36 CYS H 1 38 VAL HB 3.100 . 5.500 5.381 5.028 5.549 0.049 3 0 "[ . 1 . 2]" 1
246 1 36 CYS HA 1 38 VAL H 2.900 . 4.000 3.559 2.078 4.029 0.029 16 0 "[ . 1 . 2]" 1
247 1 37 PRO O 1 41 VAL H 2.000 . 2.500 2.445 2.148 2.534 0.034 1 0 "[ . 1 . 2]" 1
248 1 38 VAL H 1 38 VAL HA 2.800 . 3.800 2.803 2.764 2.829 . 0 0 "[ . 1 . 2]" 1
249 1 38 VAL H 1 38 VAL HB 2.500 . 3.300 2.630 2.312 2.719 . 0 0 "[ . 1 . 2]" 1
250 1 38 VAL H 1 38 VAL MG1 3.100 . 4.300 3.767 3.703 3.783 . 0 0 "[ . 1 . 2]" 1
251 1 38 VAL H 1 38 VAL MG2 2.300 . 3.000 2.100 1.790 2.620 . 0 0 "[ . 1 . 2]" 1
252 1 38 VAL HA 1 38 VAL MG1 2.600 . 3.400 2.311 2.166 2.575 . 0 0 "[ . 1 . 2]" 1
253 1 38 VAL HA 1 38 VAL MG2 2.100 . 2.700 2.375 2.058 2.523 . 0 0 "[ . 1 . 2]" 1
254 1 38 VAL HA 1 38 VAL MG2 2.000 . 2.500 1.990 1.872 2.108 . 0 0 "[ . 1 . 2]" 1
255 1 38 VAL HA 1 41 VAL H 3.100 . 4.300 3.930 3.567 4.221 . 0 0 "[ . 1 . 2]" 1
256 1 38 VAL HA 1 41 VAL HB 2.600 . 5.500 4.066 3.594 4.493 . 0 0 "[ . 1 . 2]" 1
257 1 38 VAL HB 1 38 VAL MG1 2.000 . 2.500 2.105 2.084 2.128 . 0 0 "[ . 1 . 2]" 1
258 1 38 VAL HB 1 38 VAL MG2 2.000 . 2.500 2.105 2.084 2.127 . 0 0 "[ . 1 . 2]" 1
259 1 38 VAL MG1 1 38 VAL MG2 2.000 . 2.500 1.994 1.900 2.096 . 0 0 "[ . 1 . 2]" 1
260 1 38 VAL MG1 1 38 VAL MG2 2.200 . 5.500 1.626 1.512 1.718 . 0 0 "[ . 1 . 2]" 1
261 1 38 VAL O 1 42 GLU H 2.000 . 2.500 2.292 1.961 2.507 0.007 3 0 "[ . 1 . 2]" 1
262 1 39 PRO O 1 43 THR H 2.000 . 2.500 2.176 1.999 2.501 0.001 17 0 "[ . 1 . 2]" 1
263 1 40 ASP H 1 41 VAL H 2.700 . 3.600 2.802 2.663 2.951 . 0 0 "[ . 1 . 2]" 1
264 1 40 ASP QB 1 41 VAL H 2.500 . 3.300 2.335 1.992 2.608 . 0 0 "[ . 1 . 2]" 1
265 1 40 ASP O 1 44 LYS H 2.000 . 2.500 2.439 2.259 2.526 0.026 10 0 "[ . 1 . 2]" 1
266 1 41 VAL H 1 41 VAL HB 2.400 . 3.100 2.660 2.094 2.774 . 0 0 "[ . 1 . 2]" 1
267 1 41 VAL H 1 41 VAL MG1 2.800 . 3.800 3.569 3.124 3.655 . 0 0 "[ . 1 . 2]" 1
268 1 41 VAL H 1 41 VAL MG2 2.300 . 3.000 2.138 1.841 3.303 0.303 10 0 "[ . 1 . 2]" 1
269 1 41 VAL H 1 42 GLU H 2.600 . 3.400 2.513 2.412 2.611 . 0 0 "[ . 1 . 2]" 1
270 1 41 VAL HA 1 42 GLU HB2 1.900 . 5.500 3.917 3.854 3.998 . 0 0 "[ . 1 . 2]" 1
271 1 41 VAL HA 1 41 VAL HB 2.300 . 3.000 2.993 2.847 3.013 0.013 13 0 "[ . 1 . 2]" 1
272 1 41 VAL HA 1 41 VAL HB 2.500 . 3.300 2.967 2.832 2.999 . 0 0 "[ . 1 . 2]" 1
273 1 41 VAL HA 1 41 VAL MG1 1.800 . 2.200 2.242 2.127 2.860 0.660 10 2 "[ . + -. 2]" 1
274 1 41 VAL HA 1 41 VAL MG1 2.200 . 2.800 2.029 1.889 2.159 . 0 0 "[ . 1 . 2]" 1
275 1 41 VAL HA 1 41 VAL MG2 2.000 . 2.500 2.447 2.057 2.524 0.024 9 0 "[ . 1 . 2]" 1
276 1 41 VAL HA 1 42 GLU QB 2.000 . 5.500 4.305 4.140 4.405 . 0 0 "[ . 1 . 2]" 1
277 1 41 VAL HA 1 44 LYS H 3.100 . 4.300 3.103 3.008 3.178 . 0 0 "[ . 1 . 2]" 1
278 1 41 VAL HA 1 44 LYS H 2.800 . 3.800 3.470 3.285 3.678 . 0 0 "[ . 1 . 2]" 1
279 1 41 VAL HA 1 44 LYS QB 1.900 . 2.400 2.297 2.031 2.385 . 0 0 "[ . 1 . 2]" 1
280 1 41 VAL HA 1 45 ARG HA 1.700 . 5.500 4.375 3.885 4.671 . 0 0 "[ . 1 . 2]" 1
281 1 41 VAL HB 1 41 VAL MG1 1.800 . 2.200 2.102 2.083 2.122 . 0 0 "[ . 1 . 2]" 1
282 1 41 VAL HB 1 41 VAL MG2 1.800 . 2.200 1.709 1.476 1.901 . 0 0 "[ . 1 . 2]" 1
283 1 41 VAL MG1 1 41 VAL MG2 2.500 . 5.500 1.726 1.567 1.828 . 0 0 "[ . 1 . 2]" 1
284 1 41 VAL MG1 1 42 GLU HA 2.700 . 3.600 2.715 2.558 2.987 . 0 0 "[ . 1 . 2]" 1
285 1 41 VAL MG1 1 45 ARG H 3.500 . 5.000 3.742 3.587 3.878 . 0 0 "[ . 1 . 2]" 1
286 1 41 VAL MG2 1 44 LYS H 3.700 . 5.400 4.664 4.486 4.772 . 0 0 "[ . 1 . 2]" 1
287 1 41 VAL O 1 45 ARG H 2.000 . 2.500 2.351 2.159 2.519 0.019 2 0 "[ . 1 . 2]" 1
288 1 42 GLU H 1 43 THR H 2.600 . 3.400 2.827 2.648 3.074 . 0 0 "[ . 1 . 2]" 1
289 1 42 GLU HA 1 42 GLU HB3 1.800 . 2.200 1.966 1.942 1.987 . 0 0 "[ . 1 . 2]" 1
290 1 42 GLU HA 1 42 GLU HB3 1.800 . 2.200 2.104 2.098 2.113 . 0 0 "[ . 1 . 2]" 1
291 1 42 GLU HA 1 42 GLU HG3 1.900 . 2.400 2.050 1.946 2.105 . 0 0 "[ . 1 . 2]" 1
292 1 42 GLU HA 1 42 GLU HG3 2.000 . 2.500 2.128 2.099 2.164 . 0 0 "[ . 1 . 2]" 1
293 1 42 GLU HA 1 42 GLU HG3 1.700 . 2.200 2.197 2.098 2.283 0.083 20 0 "[ . 1 . 2]" 1
294 1 42 GLU HA 1 42 GLU HG3 2.400 . 3.100 1.977 1.910 2.055 . 0 0 "[ . 1 . 2]" 1
295 1 42 GLU HA 1 45 ARG H 3.000 . 4.000 3.729 3.542 3.965 . 0 0 "[ . 1 . 2]" 1
296 1 42 GLU QB 1 43 THR H 2.300 . 3.000 2.197 1.877 2.389 . 0 0 "[ . 1 . 2]" 1
297 1 42 GLU QB 1 43 THR HA 2.200 . 5.500 3.636 3.596 3.693 . 0 0 "[ . 1 . 2]" 1
298 1 42 GLU QG 1 43 THR H 3.200 . 4.500 3.305 2.993 3.509 . 0 0 "[ . 1 . 2]" 1
299 1 42 GLU QG 1 43 THR HA 2.700 . 3.600 3.573 3.454 3.613 0.013 18 0 "[ . 1 . 2]" 1
300 1 42 GLU O 1 46 ALA H 2.000 . 2.500 2.459 2.251 2.539 0.039 1 0 "[ . 1 . 2]" 1
301 1 43 THR H 1 43 THR HA 2.600 . 3.400 2.805 2.781 2.833 . 0 0 "[ . 1 . 2]" 1
302 1 43 THR H 1 43 THR HB 2.400 . 3.100 2.482 2.296 2.684 . 0 0 "[ . 1 . 2]" 1
303 1 43 THR H 1 43 THR MG 2.400 . 3.100 2.305 2.090 2.717 . 0 0 "[ . 1 . 2]" 1
304 1 43 THR H 1 44 LYS H 2.300 . 3.000 2.656 2.553 2.717 . 0 0 "[ . 1 . 2]" 1
305 1 43 THR H 1 45 ARG H 2.500 . 5.500 4.349 4.122 4.653 . 0 0 "[ . 1 . 2]" 1
306 1 43 THR H 1 46 ALA MB 2.300 . 5.500 4.683 4.552 4.824 . 0 0 "[ . 1 . 2]" 1
307 1 43 THR HA 1 43 THR HB 2.200 . 2.800 2.482 2.379 2.602 . 0 0 "[ . 1 . 2]" 1
308 1 43 THR HA 1 46 ALA H 2.900 . 3.900 3.178 3.122 3.251 . 0 0 "[ . 1 . 2]" 1
309 1 43 THR HA 1 46 ALA MB 1.900 . 2.400 2.342 2.202 2.415 0.015 19 0 "[ . 1 . 2]" 1
310 1 43 THR HA 1 47 LEU QD 2.000 . 5.500 3.362 2.852 3.695 . 0 0 "[ . 1 . 2]" 1
311 1 43 THR HB 1 43 THR MG 2.000 . 2.500 1.875 1.806 1.961 . 0 0 "[ . 1 . 2]" 1
312 1 43 THR HB 1 46 ALA H 3.200 . 5.500 5.506 5.441 5.533 0.033 6 0 "[ . 1 . 2]" 1
313 1 43 THR MG 1 44 LYS H 2.400 . 3.100 2.061 1.751 2.377 . 0 0 "[ . 1 . 2]" 1
314 1 43 THR MG 1 46 ALA H 2.800 . 5.500 4.586 4.310 4.795 . 0 0 "[ . 1 . 2]" 1
315 1 43 THR MG 1 47 LEU H 3.400 . 4.800 4.704 4.504 5.035 0.235 5 0 "[ . 1 . 2]" 1
316 1 43 THR MG 1 66 LYS QG 2.500 . 5.500 5.341 5.128 5.422 . 0 0 "[ . 1 . 2]" 1
317 1 43 THR MG 1 66 LYS QG 2.800 . 5.500 5.502 5.193 5.684 0.184 14 0 "[ . 1 . 2]" 1
318 1 43 THR O 1 47 LEU H 2.000 . 2.500 2.297 1.977 2.524 0.024 14 0 "[ . 1 . 2]" 1
319 1 44 LYS H 1 44 LYS HA 2.800 . 3.800 2.789 2.752 2.810 . 0 0 "[ . 1 . 2]" 1
320 1 44 LYS H 1 44 LYS QB 2.000 . 2.500 2.181 2.051 2.282 . 0 0 "[ . 1 . 2]" 1
321 1 44 LYS H 1 45 ARG H 2.400 . 3.100 2.739 2.645 2.846 . 0 0 "[ . 1 . 2]" 1
322 1 44 LYS HA 1 44 LYS QB 2.100 . 2.700 2.422 2.296 2.540 . 0 0 "[ . 1 . 2]" 1
323 1 44 LYS HA 1 44 LYS QD 2.400 . 3.100 2.573 2.236 2.947 . 0 0 "[ . 1 . 2]" 1
324 1 44 LYS HA 1 47 LEU H 3.100 . 4.300 3.670 3.515 3.853 . 0 0 "[ . 1 . 2]" 1
325 1 44 LYS HA 1 47 LEU HA 1.900 . 5.500 5.195 5.091 5.317 . 0 0 "[ . 1 . 2]" 1
326 1 44 LYS HA 1 47 LEU QD 2.000 . 2.500 2.431 2.031 2.528 0.028 1 0 "[ . 1 . 2]" 1
327 1 44 LYS HB2 1 44 LYS HD2 1.800 . 2.200 2.240 1.911 2.789 0.589 5 2 "[- + 1 . 2]" 1
328 1 44 LYS O 1 48 GLN H 2.000 . 2.500 2.394 1.962 2.522 0.022 3 0 "[ . 1 . 2]" 1
329 1 45 ARG H 1 45 ARG HA 2.700 . 3.600 2.826 2.812 2.837 . 0 0 "[ . 1 . 2]" 1
330 1 45 ARG H 1 45 ARG HB2 1.900 . 2.400 2.412 2.267 2.452 0.052 1 0 "[ . 1 . 2]" 1
331 1 45 ARG H 1 45 ARG QG 3.100 . 4.300 3.971 3.874 4.018 . 0 0 "[ . 1 . 2]" 1
332 1 45 ARG H 1 46 ALA H 2.400 . 3.100 2.574 2.529 2.634 . 0 0 "[ . 1 . 2]" 1
333 1 45 ARG H 1 46 ALA H 2.200 . 2.800 2.359 2.316 2.415 . 0 0 "[ . 1 . 2]" 1
334 1 45 ARG HA 1 45 ARG QB 1.900 . 2.400 2.393 2.369 2.452 0.052 8 0 "[ . 1 . 2]" 1
335 1 45 ARG HA 1 45 ARG QB 1.800 . 2.200 2.306 2.287 2.350 0.150 8 0 "[ . 1 . 2]" 1
336 1 45 ARG HA 1 45 ARG QG 2.000 . 2.500 2.352 2.184 2.564 0.064 1 0 "[ . 1 . 2]" 1
337 1 45 ARG HA 1 46 ALA H 3.100 . 4.300 3.501 3.480 3.542 . 0 0 "[ . 1 . 2]" 1
338 1 45 ARG HA 1 48 GLN HB3 2.500 . 3.300 3.551 2.109 4.106 0.806 6 8 "[ * -+ ** *.* *]" 1
339 1 45 ARG HB3 1 46 ALA H 2.200 . 2.800 2.780 2.560 2.851 0.051 11 0 "[ . 1 . 2]" 1
340 1 45 ARG QD 1 45 ARG HG2 1.900 . 2.400 2.096 2.078 2.126 . 0 0 "[ . 1 . 2]" 1
341 1 45 ARG QD 1 49 ASN QB 2.200 . 2.800 2.533 2.271 2.775 . 0 0 "[ . 1 . 2]" 1
342 1 46 ALA H 1 46 ALA HA 2.400 . 3.100 2.801 2.780 2.828 . 0 0 "[ . 1 . 2]" 1
343 1 46 ALA H 1 46 ALA MB 2.100 . 2.700 2.106 2.029 2.230 . 0 0 "[ . 1 . 2]" 1
344 1 46 ALA H 1 47 LEU H 2.300 . 3.000 2.749 2.619 2.902 . 0 0 "[ . 1 . 2]" 1
345 1 46 ALA H 1 47 LEU QD 3.400 . 5.500 3.779 3.466 4.561 . 0 0 "[ . 1 . 2]" 1
346 1 46 ALA HA 1 46 ALA MB 1.600 . 2.200 2.099 2.081 2.125 . 0 0 "[ . 1 . 2]" 1
347 1 46 ALA HA 1 47 LEU H 3.500 . 5.000 3.544 3.483 3.575 . 0 0 "[ . 1 . 2]" 1
348 1 46 ALA HA 1 49 ASN H 3.000 . 4.200 3.549 3.193 4.035 . 0 0 "[ . 1 . 2]" 1
349 1 46 ALA MB 1 47 LEU H 2.500 . 3.300 2.560 2.317 2.842 . 0 0 "[ . 1 . 2]" 1
350 1 47 LEU H 1 47 LEU HA 2.800 . 3.800 2.823 2.759 2.869 . 0 0 "[ . 1 . 2]" 1
351 1 47 LEU H 1 47 LEU QD 2.700 . 3.600 2.168 1.771 2.800 0.029 5 0 "[ . 1 . 2]" 1
352 1 47 LEU H 1 47 LEU HG 2.700 . 5.500 3.363 1.763 4.200 . 0 0 "[ . 1 . 2]" 1
353 1 47 LEU H 1 48 GLN H 2.500 . 3.300 2.655 2.484 2.940 . 0 0 "[ . 1 . 2]" 1
354 1 47 LEU H 1 68 ARG QG 2.100 . 5.500 5.239 4.891 5.336 . 0 0 "[ . 1 . 2]" 1
355 1 47 LEU HA 1 47 LEU QB 2.600 . 3.400 2.366 2.221 2.457 . 0 0 "[ . 1 . 2]" 1
356 1 47 LEU HA 1 47 LEU HB3 2.000 . 2.500 2.482 2.294 2.616 0.116 6 0 "[ . 1 . 2]" 1
357 1 47 LEU HA 1 47 LEU QD 1.700 . 2.200 2.034 1.824 2.203 0.003 3 0 "[ . 1 . 2]" 1
358 1 47 LEU HA 1 47 LEU QD 2.200 . 2.800 1.896 1.749 2.021 . 0 0 "[ . 1 . 2]" 1
359 1 47 LEU HA 1 71 GLU HG3 2.300 . 5.500 4.009 3.400 4.945 . 0 0 "[ . 1 . 2]" 1
360 1 47 LEU HA 1 71 GLU HB2 1.900 . 5.500 4.972 4.321 6.377 0.877 8 2 "[ - + 1 . 2]" 1
361 1 47 LEU HA 1 97 VAL MG2 1.900 . 5.500 5.081 4.571 5.526 0.026 18 0 "[ . 1 . 2]" 1
362 1 47 LEU QB 1 50 MET HG2 2.000 . 5.500 4.574 3.702 5.703 0.203 11 0 "[ . 1 . 2]" 1
363 1 47 LEU QB 1 47 LEU QD 1.800 . 2.200 1.947 1.869 2.043 . 0 0 "[ . 1 . 2]" 1
364 1 47 LEU QB 1 47 LEU QD 2.200 . 2.800 1.766 1.711 1.814 . 0 0 "[ . 1 . 2]" 1
365 1 47 LEU QB 1 47 LEU HG 1.600 . 2.200 2.226 2.148 2.361 0.161 17 0 "[ . 1 . 2]" 1
366 1 47 LEU QB 1 71 GLU HB2 1.800 . 5.500 3.412 2.558 4.240 . 0 0 "[ . 1 . 2]" 1
367 1 47 LEU HB2 1 48 GLN H 2.800 . 3.800 2.673 2.147 3.139 . 0 0 "[ . 1 . 2]" 1
368 1 47 LEU HB3 1 47 LEU QD 1.800 . 2.200 1.779 1.480 1.984 . 0 0 "[ . 1 . 2]" 1
369 1 47 LEU MD1 1 47 LEU MD2 1.700 . 2.200 2.017 1.876 2.093 . 0 0 "[ . 1 . 2]" 1
370 1 47 LEU QD 1 47 LEU HG 1.900 . 2.400 1.876 1.855 1.889 . 0 0 "[ . 1 . 2]" 1
371 1 47 LEU QD 1 47 LEU HG 1.800 . 2.200 1.721 1.675 1.752 . 0 0 "[ . 1 . 2]" 1
372 1 47 LEU QD 1 48 GLN H 3.600 . 5.200 3.727 3.259 4.073 . 0 0 "[ . 1 . 2]" 1
373 1 47 LEU QD 1 67 GLU QG 2.200 . 2.800 1.946 1.616 2.272 . 0 0 "[ . 1 . 2]" 1
374 1 47 LEU QD 1 58 VAL QG 2.400 . 5.500 4.727 4.190 5.307 . 0 0 "[ . 1 . 2]" 1
375 1 47 LEU MD1 1 47 LEU MD2 1.900 . 2.400 1.799 1.720 1.846 . 0 0 "[ . 1 . 2]" 1
376 1 47 LEU HG 1 48 GLN H 3.400 . 5.500 4.717 3.406 5.504 0.004 13 0 "[ . 1 . 2]" 1
377 1 48 GLN H 1 48 GLN HA 2.500 . 3.300 2.865 2.774 2.884 . 0 0 "[ . 1 . 2]" 1
378 1 48 GLN H 1 48 GLN HB2 2.600 . 3.400 2.309 2.072 3.141 . 0 0 "[ . 1 . 2]" 1
379 1 48 GLN H 1 48 GLN HB3 2.300 . 3.000 3.056 2.088 3.426 0.426 11 0 "[ . 1 . 2]" 1
380 1 48 GLN H 1 48 GLN QG 2.700 . 3.600 3.462 3.002 3.651 0.051 13 0 "[ . 1 . 2]" 1
381 1 48 GLN H 1 49 ASN H 2.400 . 3.200 2.506 2.385 2.767 . 0 0 "[ . 1 . 2]" 1
382 1 48 GLN HA 1 48 GLN HB2 1.900 . 2.400 2.233 1.987 2.437 0.037 8 0 "[ . 1 . 2]" 1
383 1 48 GLN HA 1 48 GLN HG3 2.400 . 3.100 2.667 2.063 3.134 0.034 15 0 "[ . 1 . 2]" 1
384 1 48 GLN HA 1 49 ASN H 2.800 . 3.800 3.396 3.168 3.529 . 0 0 "[ . 1 . 2]" 1
385 1 48 GLN HB2 1 48 GLN QG 2.300 . 3.000 2.351 2.147 2.515 . 0 0 "[ . 1 . 2]" 1
386 1 48 GLN HB2 1 49 ASN H 3.400 . 4.800 3.724 3.125 4.346 . 0 0 "[ . 1 . 2]" 1
387 1 48 GLN HB3 1 49 ASN H 3.400 . 4.800 3.516 3.004 3.952 . 0 0 "[ . 1 . 2]" 1
388 1 48 GLN QG 1 49 ASN HA 2.500 . 5.500 5.063 3.322 5.558 0.058 6 0 "[ . 1 . 2]" 1
389 1 48 GLN HG3 1 71 GLU HG2 2.600 . 5.500 3.587 2.526 4.049 . 0 0 "[ . 1 . 2]" 1
390 1 49 ASN H 1 49 ASN HA 2.800 . 3.800 2.940 2.932 2.949 . 0 0 "[ . 1 . 2]" 1
391 1 49 ASN H 1 49 ASN QB 3.100 . 3.800 2.554 2.387 2.719 . 0 0 "[ . 1 . 2]" 1
392 1 49 ASN H 1 50 MET H 2.500 . 3.300 3.166 2.420 3.329 0.029 1 0 "[ . 1 . 2]" 1
393 1 49 ASN HA 1 50 MET H 3.000 . 4.100 2.545 2.400 2.888 . 0 0 "[ . 1 . 2]" 1
394 1 49 ASN HA 1 50 MET HB2 2.300 . 5.500 5.603 4.947 6.107 0.607 8 6 "[ -*. + 1 * . * *2]" 1
395 1 49 ASN QB 1 50 MET HA 2.500 . 5.500 4.174 4.005 4.544 . 0 0 "[ . 1 . 2]" 1
396 1 50 MET H 1 50 MET HA 3.000 . 4.100 2.927 2.893 2.944 . 0 0 "[ . 1 . 2]" 1
397 1 50 MET H 1 50 MET HB2 2.500 . 3.300 3.170 2.304 3.746 0.446 20 0 "[ . 1 . 2]" 1
398 1 50 MET H 1 50 MET ME 2.400 . 5.500 3.406 1.518 5.007 . 0 0 "[ . 1 . 2]" 1
399 1 50 MET H 1 50 MET HG3 2.600 . 3.400 2.895 1.913 4.332 0.932 2 2 "[ + . 1- . 2]" 1
400 1 50 MET H 1 51 LYS H 5.000 3.000 55.000 4.515 4.278 4.596 . 0 0 "[ . 1 . 2]" 1
401 1 50 MET H 1 97 VAL MG2 3.100 . 5.500 5.064 4.839 5.471 . 0 0 "[ . 1 . 2]" 1
402 1 50 MET HA 1 50 MET HB3 2.000 . 2.500 2.423 2.241 2.575 0.075 11 0 "[ . 1 . 2]" 1
403 1 50 MET HA 1 50 MET ME 2.300 . 5.500 4.281 3.833 5.319 . 0 0 "[ . 1 . 2]" 1
404 1 50 MET HA 1 50 MET ME 2.100 . 2.700 2.626 2.292 2.750 0.050 2 0 "[ . 1 . 2]" 1
405 1 50 MET HA 1 50 MET HG3 2.200 . 5.500 3.487 2.548 4.242 . 0 0 "[ . 1 . 2]" 1
406 1 50 MET HA 1 51 LYS H 2.200 . 2.800 2.227 2.147 2.353 . 0 0 "[ . 1 . 2]" 1
407 1 50 MET QB 1 54 GLU HB2 2.200 . 5.500 3.969 3.418 4.727 . 0 0 "[ . 1 . 2]" 1
408 1 50 MET HB2 1 50 MET ME 1.700 . 2.200 2.092 1.816 2.494 0.294 5 0 "[ . 1 . 2]" 1
409 1 50 MET HB2 1 50 MET QG 2.000 . 2.500 2.326 2.146 2.520 0.020 1 0 "[ . 1 . 2]" 1
410 1 50 MET HB3 1 50 MET QG 1.800 . 2.200 2.300 2.127 2.466 0.266 17 0 "[ . 1 . 2]" 1
411 1 50 MET HB3 1 97 VAL MG2 2.100 . 2.700 2.536 1.637 3.409 0.709 19 6 "[ *. 1* - . * +*]" 1
412 1 50 MET ME 1 50 MET HG3 2.000 . 2.500 2.726 2.243 3.373 0.873 12 6 "[ * . -* 1*+ . * 2]" 1
413 1 51 LYS H 1 51 LYS QB 2.300 . 3.000 2.376 2.132 2.712 . 0 0 "[ . 1 . 2]" 1
414 1 51 LYS H 1 51 LYS QD 2.200 . 5.500 4.002 2.427 4.611 . 0 0 "[ . 1 . 2]" 1
415 1 51 LYS H 1 54 GLU QG 2.200 . 5.500 2.351 1.776 3.245 . 0 0 "[ . 1 . 2]" 1
416 1 51 LYS H 1 97 VAL MG2 3.200 . 4.500 3.223 2.904 3.939 . 0 0 "[ . 1 . 2]" 1
417 1 51 LYS HA 1 51 LYS QE 1.800 . 5.500 4.078 2.801 4.961 . 0 0 "[ . 1 . 2]" 1
418 1 51 LYS HA 1 51 LYS HG2 2.300 . 3.000 2.953 2.286 3.650 0.650 14 1 "[ . 1 +. 2]" 1
419 1 51 LYS HA 1 97 VAL QG 3.000 . 4.100 4.130 4.039 4.167 0.067 4 0 "[ . 1 . 2]" 1
420 1 51 LYS QB 1 51 LYS QE 2.000 . 5.500 3.161 2.423 3.764 . 0 0 "[ . 1 . 2]" 1
421 1 51 LYS QB 1 51 LYS HG3 1.600 . 2.200 1.879 1.788 2.127 . 0 0 "[ . 1 . 2]" 1
422 1 51 LYS QB 1 53 GLY H 3.100 . 4.300 3.472 2.553 4.116 . 0 0 "[ . 1 . 2]" 1
423 1 51 LYS QB 1 53 GLY HA3 2.200 . 5.500 4.306 3.876 4.605 . 0 0 "[ . 1 . 2]" 1
424 1 51 LYS QB 1 54 GLU QG 1.800 . 2.200 1.689 1.417 1.880 . 0 0 "[ . 1 . 2]" 1
425 1 51 LYS HE2 1 51 LYS HG2 2.400 . 3.100 2.598 2.004 3.280 0.180 17 0 "[ . 1 . 2]" 1
426 1 53 GLY H 1 53 GLY HA2 2.500 . 3.300 2.943 2.938 2.947 . 0 0 "[ . 1 . 2]" 1
427 1 53 GLY H 1 53 GLY HA3 2.500 . 3.300 2.406 2.397 2.424 . 0 0 "[ . 1 . 2]" 1
428 1 53 GLY H 1 54 GLU H 2.500 . 3.300 3.360 2.981 3.436 0.136 20 0 "[ . 1 . 2]" 1
429 1 53 GLY H 1 97 VAL HB 2.700 . 5.500 4.850 4.554 5.321 . 0 0 "[ . 1 . 2]" 1
430 1 53 GLY HA2 1 54 GLU H 3.300 . 4.700 2.624 2.545 2.862 . 0 0 "[ . 1 . 2]" 1
431 1 53 GLY HA2 1 97 VAL MG1 2.800 . 5.500 4.601 4.097 5.529 0.029 7 0 "[ . 1 . 2]" 1
432 1 53 GLY HA3 1 54 GLU H 3.200 . 4.500 3.570 3.557 3.592 . 0 0 "[ . 1 . 2]" 1
433 1 53 GLY HA3 1 54 GLU HA 1.900 . 5.500 3.783 3.709 3.895 . 0 0 "[ . 1 . 2]" 1
434 1 53 GLY HA3 1 54 GLU HB2 2.300 . 5.500 5.025 4.168 5.534 0.034 16 0 "[ . 1 . 2]" 1
435 1 53 GLY HA3 1 54 GLU QG 2.100 . 5.500 5.234 4.830 5.410 . 0 0 "[ . 1 . 2]" 1
436 1 53 GLY HA3 1 54 GLU QG 2.400 . 5.500 4.452 4.192 4.641 . 0 0 "[ . 1 . 2]" 1
437 1 54 GLU H 1 54 GLU HA 2.900 . 4.000 2.914 2.905 2.920 . 0 0 "[ . 1 . 2]" 1
438 1 54 GLU H 1 54 GLU QG 2.300 . 5.500 3.176 2.631 3.364 . 0 0 "[ . 1 . 2]" 1
439 1 54 GLU H 1 97 VAL H 2.800 . 3.800 3.617 3.300 3.838 0.038 14 0 "[ . 1 . 2]" 1
440 1 54 GLU H 1 97 VAL HB 2.600 . 3.400 2.146 1.797 2.720 0.003 18 0 "[ . 1 . 2]" 1
441 1 54 GLU H 1 97 VAL QG 2.800 . 3.800 3.106 2.742 3.553 . 0 0 "[ . 1 . 2]" 1
442 1 54 GLU H 1 97 VAL O 2.000 . 2.500 2.552 2.428 2.602 0.102 20 0 "[ . 1 . 2]" 1
443 1 54 GLU HA 1 54 GLU HB2 2.400 . 3.100 2.660 2.018 2.893 . 0 0 "[ . 1 . 2]" 1
444 1 54 GLU HA 1 54 GLU HB3 1.900 . 2.400 2.082 2.007 2.133 . 0 0 "[ . 1 . 2]" 1
445 1 54 GLU HA 1 54 GLU HB3 3.100 . 4.300 2.160 2.089 2.227 . 0 0 "[ . 1 . 2]" 1
446 1 54 GLU HA 1 54 GLU HB3 2.200 . 2.800 2.169 2.076 2.297 . 0 0 "[ . 1 . 2]" 1
447 1 54 GLU HA 1 54 GLU QG 2.400 . 3.100 2.466 2.137 2.834 . 0 0 "[ . 1 . 2]" 1
448 1 54 GLU HA 1 55 ILE H 2.500 . 3.200 2.236 2.113 2.330 . 0 0 "[ . 1 . 2]" 1
449 1 54 GLU HB2 1 54 GLU QG 2.000 . 2.500 2.191 2.148 2.319 . 0 0 "[ . 1 . 2]" 1
450 1 54 GLU HB2 1 97 VAL MG2 1.800 . 2.200 2.152 1.914 2.237 0.037 8 0 "[ . 1 . 2]" 1
451 1 54 GLU HB3 1 55 ILE H 2.300 . 3.000 2.599 2.476 2.871 . 0 0 "[ . 1 . 2]" 1
452 1 54 GLU HB3 1 56 LEU H 3.000 . 4.100 3.806 3.372 3.953 . 0 0 "[ . 1 . 2]" 1
453 1 54 GLU HB3 1 56 LEU QD 1.800 . 2.200 1.867 1.712 2.070 . 0 0 "[ . 1 . 2]" 1
454 1 54 GLU QG 1 56 LEU QD 2.100 . 2.700 1.952 1.617 2.276 . 0 0 "[ . 1 . 2]" 1
455 1 54 GLU O 1 97 VAL H 2.000 . 2.500 2.254 2.068 2.540 0.040 18 0 "[ . 1 . 2]" 1
456 1 55 ILE H 1 56 LEU HB2 3.300 . 4.700 4.600 3.952 4.938 0.238 7 0 "[ . 1 . 2]" 1
457 1 55 ILE H 1 56 LEU QD 2.800 . 3.800 2.710 1.468 3.100 0.332 16 0 "[ . 1 . 2]" 1
458 1 55 ILE HA 1 55 ILE HB 2.800 . 3.800 2.320 1.765 2.579 0.035 15 0 "[ . 1 . 2]" 1
459 1 55 ILE HA 1 55 ILE MD 1.900 . 5.500 2.749 2.306 3.287 . 0 0 "[ . 1 . 2]" 1
460 1 55 ILE HA 1 55 ILE MG 1.800 . 2.200 2.171 2.005 2.287 0.087 18 0 "[ . 1 . 2]" 1
461 1 55 ILE HA 1 56 LEU H 2.200 . 2.800 2.230 2.163 2.554 . 0 0 "[ . 1 . 2]" 1
462 1 55 ILE HA 1 96 LYS QB 2.100 . 2.700 2.438 1.777 2.793 0.093 18 0 "[ . 1 . 2]" 1
463 1 55 ILE HB 1 55 ILE MD 1.900 . 2.400 1.725 1.676 1.787 . 0 0 "[ . 1 . 2]" 1
464 1 55 ILE HB 1 55 ILE MD 1.800 . 2.200 1.794 1.742 1.872 . 0 0 "[ . 1 . 2]" 1
465 1 55 ILE HB 1 55 ILE MG 1.600 . 2.200 1.683 1.628 1.703 . 0 0 "[ . 1 . 2]" 1
466 1 55 ILE MG 1 96 LYS HA 2.000 . 5.500 2.922 2.719 3.336 . 0 0 "[ . 1 . 2]" 1
467 1 56 LEU H 1 56 LEU QB 2.400 . 3.100 2.673 2.314 3.101 0.001 7 0 "[ . 1 . 2]" 1
468 1 56 LEU H 1 56 LEU QD 2.700 . 3.000 2.819 2.414 3.002 0.002 19 0 "[ . 1 . 2]" 1
469 1 56 LEU H 1 95 ILE H 2.800 . 3.800 3.839 3.703 3.930 0.130 18 0 "[ . 1 . 2]" 1
470 1 56 LEU H 1 95 ILE O 2.000 . 2.500 1.995 1.845 2.339 . 0 0 "[ . 1 . 2]" 1
471 1 56 LEU H 1 97 VAL H 3.200 . 4.500 3.651 3.520 3.903 . 0 0 "[ . 1 . 2]" 1
472 1 56 LEU HA 1 56 LEU QB 2.200 . 2.800 2.328 2.136 2.521 . 0 0 "[ . 1 . 2]" 1
473 1 56 LEU HA 1 56 LEU QD 1.800 . 5.500 2.506 1.907 3.385 . 0 0 "[ . 1 . 2]" 1
474 1 56 LEU HA 1 56 LEU HG 2.600 . 3.400 3.108 2.323 3.495 0.095 9 0 "[ . 1 . 2]" 1
475 1 56 LEU HA 1 57 GLU H 2.100 . 2.700 2.350 2.203 2.671 . 0 0 "[ . 1 . 2]" 1
476 1 56 LEU HB2 1 56 LEU QD 1.800 . 2.200 1.961 1.780 2.173 . 0 0 "[ . 1 . 2]" 1
477 1 56 LEU HB3 1 57 GLU H 3.100 . 4.300 2.742 2.059 3.105 . 0 0 "[ . 1 . 2]" 1
478 1 56 LEU QD 1 57 GLU H 2.500 . 5.500 3.643 3.331 4.003 . 0 0 "[ . 1 . 2]" 1
479 1 56 LEU QD 1 58 VAL H 2.800 . 5.500 4.802 4.111 5.323 . 0 0 "[ . 1 . 2]" 1
480 1 56 LEU MD1 1 56 LEU MD2 1.700 . 2.200 1.847 1.767 1.913 . 0 0 "[ . 1 . 2]" 1
481 1 56 LEU MD1 1 56 LEU MD2 1.800 . 2.200 1.900 1.801 1.970 . 0 0 "[ . 1 . 2]" 1
482 1 56 LEU HG 1 57 GLU H 3.100 . 5.500 4.221 2.984 5.128 . 0 0 "[ . 1 . 2]" 1
483 1 56 LEU O 1 95 ILE H 2.000 . 2.500 2.101 1.847 2.468 . 0 0 "[ . 1 . 2]" 1
484 1 57 GLU H 1 57 GLU QG 2.700 . 5.500 3.345 2.093 4.090 . 0 0 "[ . 1 . 2]" 1
485 1 57 GLU H 1 58 VAL QG 2.900 . 4.000 3.916 3.708 4.028 0.028 17 0 "[ . 1 . 2]" 1
486 1 57 GLU HA 1 57 GLU HB2 2.800 . 3.800 2.390 2.264 2.513 . 0 0 "[ . 1 . 2]" 1
487 1 57 GLU HA 1 57 GLU HB3 2.200 . 2.800 2.528 2.306 2.693 . 0 0 "[ . 1 . 2]" 1
488 1 57 GLU HA 1 58 VAL H 2.200 . 2.800 2.251 2.138 2.535 . 0 0 "[ . 1 . 2]" 1
489 1 57 GLU HA 1 95 ILE H 2.800 . 3.800 2.661 2.396 2.816 . 0 0 "[ . 1 . 2]" 1
490 1 57 GLU HB2 1 57 GLU QG 2.400 . 3.100 2.273 2.190 2.385 . 0 0 "[ . 1 . 2]" 1
491 1 57 GLU HB2 1 58 VAL H 3.000 . 4.100 3.586 2.229 4.164 0.064 6 0 "[ . 1 . 2]" 1
492 1 57 GLU HB3 1 57 GLU QG 2.300 . 3.000 2.216 2.085 2.342 . 0 0 "[ . 1 . 2]" 1
493 1 57 GLU QG 1 93 ILE H 2.900 . 5.500 4.793 3.945 5.323 . 0 0 "[ . 1 . 2]" 1
494 1 58 VAL H 1 58 VAL HB 2.400 . 3.100 2.895 2.740 3.317 0.217 17 0 "[ . 1 . 2]" 1
495 1 58 VAL H 1 58 VAL QG 2.300 . 3.000 2.465 1.779 2.893 . 0 0 "[ . 1 . 2]" 1
496 1 58 VAL H 1 93 ILE O 2.000 . 2.500 2.004 1.852 2.171 . 0 0 "[ . 1 . 2]" 1
497 1 58 VAL H 1 95 ILE HB 2.600 . 5.500 5.151 4.672 5.525 0.025 19 0 "[ . 1 . 2]" 1
498 1 58 VAL HA 1 59 TRP H 2.200 . 2.800 2.165 2.128 2.259 . 0 0 "[ . 1 . 2]" 1
499 1 58 VAL HB 1 58 VAL QG 1.400 . 2.200 1.668 1.588 1.803 . 0 0 "[ . 1 . 2]" 1
500 1 58 VAL HB 1 64 MET H 2.400 . 5.500 4.895 3.787 5.553 0.053 17 0 "[ . 1 . 2]" 1
501 1 58 VAL HB 1 65 SER H 3.500 . 5.500 4.988 3.885 5.510 0.010 17 0 "[ . 1 . 2]" 1
502 1 58 VAL HB 1 93 ILE MD 1.700 . 2.200 1.771 1.700 1.807 . 0 0 "[ . 1 . 2]" 1
503 1 58 VAL QG 1 59 TRP H 2.400 . 3.100 2.399 2.129 2.887 . 0 0 "[ . 1 . 2]" 1
504 1 58 VAL QG 1 64 MET QG 2.600 . 3.400 3.170 2.748 3.421 0.021 12 0 "[ . 1 . 2]" 1
505 1 58 VAL O 1 93 ILE H 2.000 . 2.500 2.068 1.857 2.286 . 0 0 "[ . 1 . 2]" 1
506 1 59 TRP H 1 59 TRP HD1 3.500 . 5.000 4.564 2.198 4.979 . 0 0 "[ . 1 . 2]" 1
507 1 59 TRP HA 1 60 ILE H 2.200 . 2.800 2.169 2.138 2.199 . 0 0 "[ . 1 . 2]" 1
508 1 59 TRP HA 1 92 LYS HA 2.500 . 3.200 2.721 2.399 3.058 . 0 0 "[ . 1 . 2]" 1
509 1 59 TRP HD1 1 60 ILE H 3.500 . 5.000 3.439 2.301 5.010 0.010 14 0 "[ . 1 . 2]" 1
510 1 60 ILE H 1 60 ILE HB 2.800 . 3.800 3.589 3.309 3.767 . 0 0 "[ . 1 . 2]" 1
511 1 60 ILE H 1 60 ILE MG 3.100 . 4.300 3.839 3.697 4.021 . 0 0 "[ . 1 . 2]" 1
512 1 60 ILE H 1 91 TRP H 2.800 . 3.800 3.804 3.706 3.859 0.059 12 0 "[ . 1 . 2]" 1
513 1 60 ILE H 1 91 TRP O 2.000 . 2.500 2.540 2.499 2.569 0.069 13 0 "[ . 1 . 2]" 1
514 1 60 ILE H 1 93 ILE MD 3.200 . 4.500 3.701 3.186 4.518 0.018 14 0 "[ . 1 . 2]" 1
515 1 60 ILE HA 1 60 ILE HB 2.300 . 3.000 2.795 2.693 2.946 . 0 0 "[ . 1 . 2]" 1
516 1 60 ILE HA 1 60 ILE MG 1.900 . 2.400 1.995 1.896 2.134 . 0 0 "[ . 1 . 2]" 1
517 1 60 ILE HA 1 61 ASP H 2.200 . 2.800 2.706 2.601 2.841 0.041 12 0 "[ . 1 . 2]" 1
518 1 60 ILE HB 1 91 TRP H 2.900 . 5.500 5.391 4.949 5.537 0.037 11 0 "[ . 1 . 2]" 1
519 1 60 ILE MG 1 61 ASP H 3.400 . 4.800 2.515 1.979 2.916 0.021 12 0 "[ . 1 . 2]" 1
520 1 60 ILE O 1 91 TRP H 2.000 . 2.500 2.067 1.885 2.163 . 0 0 "[ . 1 . 2]" 1
521 1 61 ASP H 1 62 TYR H 2.400 . 3.100 2.144 1.918 2.631 . 0 0 "[ . 1 . 2]" 1
522 1 61 ASP HA 1 61 ASP QB 2.300 . 3.000 2.285 2.155 2.530 . 0 0 "[ . 1 . 2]" 1
523 1 61 ASP QB 1 90 GLU HB2 2.500 . 5.500 4.059 3.426 4.570 . 0 0 "[ . 1 . 2]" 1
524 1 61 ASP QB 1 90 GLU HA 1.800 . 5.500 3.098 1.768 3.943 . 0 0 "[ . 1 . 2]" 1
525 1 61 ASP HB2 1 89 SER HB2 2.400 . 5.500 3.795 2.441 5.051 . 0 0 "[ . 1 . 2]" 1
526 1 62 TYR HA 1 62 TYR QB 2.400 . 3.100 2.428 2.160 2.542 . 0 0 "[ . 1 . 2]" 1
527 1 64 MET H 1 64 MET HA 2.800 . 3.800 2.837 2.816 2.846 . 0 0 "[ . 1 . 2]" 1
528 1 64 MET H 1 64 MET HB3 2.700 . 3.600 3.161 2.544 3.577 . 0 0 "[ . 1 . 2]" 1
529 1 64 MET H 1 64 MET QG 3.100 . 4.300 3.495 2.437 4.052 . 0 0 "[ . 1 . 2]" 1
530 1 64 MET H 1 65 SER H 2.600 . 3.400 2.552 2.493 2.601 . 0 0 "[ . 1 . 2]" 1
531 1 64 MET HA 1 64 MET QG 2.100 . 2.700 2.312 2.024 2.622 . 0 0 "[ . 1 . 2]" 1
532 1 64 MET HA 1 66 LYS H 3.200 . 4.500 3.346 3.146 3.515 . 0 0 "[ . 1 . 2]" 1
533 1 64 MET HB2 1 64 MET QG 2.500 . 3.300 2.117 1.936 2.400 . 0 0 "[ . 1 . 2]" 1
534 1 64 MET HB3 1 64 MET QG 1.800 . 2.200 2.361 2.143 2.520 0.320 2 0 "[ . 1 . 2]" 1
535 1 64 MET HB3 1 65 SER H 3.300 . 4.700 3.445 2.953 4.085 . 0 0 "[ . 1 . 2]" 1
536 1 64 MET QG 1 67 GLU QB 2.000 . 5.500 4.490 3.431 5.273 . 0 0 "[ . 1 . 2]" 1
537 1 64 MET O 1 68 ARG H 2.000 . 2.500 2.557 2.524 2.602 0.102 15 0 "[ . 1 . 2]" 1
538 1 65 SER H 1 65 SER QB 3.200 . 3.600 2.423 2.081 2.909 . 0 0 "[ . 1 . 2]" 1
539 1 65 SER H 1 66 LYS H 2.500 . 3.300 2.665 2.610 2.738 . 0 0 "[ . 1 . 2]" 1
540 1 65 SER H 1 93 ILE MD 3.200 . 4.500 3.881 2.796 4.535 0.035 7 0 "[ . 1 . 2]" 1
541 1 65 SER HA 1 68 ARG H 3.000 . 4.000 2.785 2.673 2.877 . 0 0 "[ . 1 . 2]" 1
542 1 65 SER HA 1 68 ARG HB2 1.900 . 2.400 1.689 1.510 1.929 . 0 0 "[ . 1 . 2]" 1
543 1 65 SER HA 1 68 ARG QG 2.300 . 3.000 2.708 2.173 3.047 0.047 1 0 "[ . 1 . 2]" 1
544 1 65 SER HA 1 69 ILE MD 2.100 . 5.500 3.120 2.838 3.660 . 0 0 "[ . 1 . 2]" 1
545 1 65 SER QB 1 68 ARG HD2 2.800 . 3.800 3.032 1.777 3.591 0.023 16 0 "[ . 1 . 2]" 1
546 1 65 SER QB 1 95 ILE MD 1.600 . 2.200 1.907 1.697 2.038 . 0 0 "[ . 1 . 2]" 1
547 1 65 SER QB 1 95 ILE MD 2.000 . 2.500 1.919 1.702 2.056 . 0 0 "[ . 1 . 2]" 1
548 1 65 SER QB 1 93 ILE MG 2.400 . 3.100 2.803 2.314 3.037 . 0 0 "[ . 1 . 2]" 1
549 1 65 SER O 1 69 ILE H 2.000 . 2.500 1.997 1.889 2.187 . 0 0 "[ . 1 . 2]" 1
550 1 66 LYS H 1 66 LYS HA 3.000 . 4.100 2.791 2.763 2.812 . 0 0 "[ . 1 . 2]" 1
551 1 66 LYS H 1 66 LYS QB 2.600 . 3.400 2.465 2.299 2.654 . 0 0 "[ . 1 . 2]" 1
552 1 66 LYS H 1 66 LYS HD2 2.400 . 5.500 3.787 3.589 3.963 . 0 0 "[ . 1 . 2]" 1
553 1 66 LYS H 1 67 GLU H 2.700 . 3.600 2.702 2.612 2.819 . 0 0 "[ . 1 . 2]" 1
554 1 66 LYS HA 1 66 LYS QB 2.400 . 3.100 2.181 2.175 2.185 . 0 0 "[ . 1 . 2]" 1
555 1 66 LYS HA 1 66 LYS QG 2.400 . 5.500 3.345 3.318 3.392 . 0 0 "[ . 1 . 2]" 1
556 1 66 LYS HA 1 67 GLU HB2 2.400 . 5.500 4.811 4.668 4.913 . 0 0 "[ . 1 . 2]" 1
557 1 66 LYS HA 1 67 GLU HB2 2.200 . 5.500 3.831 3.654 3.970 . 0 0 "[ . 1 . 2]" 1
558 1 66 LYS HA 1 69 ILE H 3.000 . 4.000 4.032 3.981 4.061 0.061 7 0 "[ . 1 . 2]" 1
559 1 66 LYS HA 1 69 ILE HB 2.400 . 5.500 4.059 3.828 4.279 . 0 0 "[ . 1 . 2]" 1
560 1 66 LYS HA 1 69 ILE MD 1.800 . 2.200 2.191 2.060 2.224 0.024 16 0 "[ . 1 . 2]" 1
561 1 66 LYS HB2 1 66 LYS HG2 2.500 . 3.300 2.615 2.466 2.684 . 0 0 "[ . 1 . 2]" 1
562 1 66 LYS QB 1 67 GLU H 3.100 . 4.300 3.444 3.233 3.587 . 0 0 "[ . 1 . 2]" 1
563 1 66 LYS HD2 1 66 LYS HG2 1.800 . 2.200 2.203 2.065 2.375 0.175 7 0 "[ . 1 . 2]" 1
564 1 66 LYS QD 1 67 GLU H 3.100 . 4.300 3.858 2.988 4.335 0.035 8 0 "[ . 1 . 2]" 1
565 1 66 LYS QG 1 67 GLU QG 2.500 . 5.500 3.419 2.453 4.751 . 0 0 "[ . 1 . 2]" 1
566 1 67 GLU H 1 67 GLU HA 2.600 . 3.400 2.921 2.907 2.928 . 0 0 "[ . 1 . 2]" 1
567 1 67 GLU H 1 67 GLU HB2 2.600 . 3.400 2.235 2.182 2.346 . 0 0 "[ . 1 . 2]" 1
568 1 67 GLU H 1 67 GLU HB3 2.600 . 5.500 3.346 2.997 3.553 . 0 0 "[ . 1 . 2]" 1
569 1 67 GLU H 1 67 GLU QG 3.100 . 4.300 3.536 2.986 4.007 . 0 0 "[ . 1 . 2]" 1
570 1 67 GLU H 1 68 ARG H 2.500 . 3.300 2.138 2.074 2.221 . 0 0 "[ . 1 . 2]" 1
571 1 67 GLU HA 1 67 GLU QG 1.700 . 2.200 2.087 2.007 2.189 . 0 0 "[ . 1 . 2]" 1
572 1 67 GLU HB2 1 68 ARG H 2.600 . 3.400 3.248 2.986 3.585 0.185 2 0 "[ . 1 . 2]" 1
573 1 67 GLU O 1 71 GLU H 2.000 . 2.500 2.586 2.558 2.642 0.142 18 0 "[ . 1 . 2]" 1
574 1 68 ARG H 1 68 ARG HA 2.700 . 3.600 2.808 2.788 2.823 . 0 0 "[ . 1 . 2]" 1
575 1 68 ARG H 1 68 ARG QG 2.900 . 4.000 2.910 2.290 3.592 . 0 0 "[ . 1 . 2]" 1
576 1 68 ARG H 1 69 ILE H 2.800 . 3.800 2.699 2.627 2.799 . 0 0 "[ . 1 . 2]" 1
577 1 68 ARG HA 1 68 ARG HB3 1.600 . 2.200 2.003 1.920 2.040 . 0 0 "[ . 1 . 2]" 1
578 1 68 ARG HB3 1 69 ILE H 2.100 . 2.700 2.516 2.459 2.573 . 0 0 "[ . 1 . 2]" 1
579 1 68 ARG O 1 72 THR H 2.000 . 2.500 2.107 1.902 2.413 . 0 0 "[ . 1 . 2]" 1
580 1 69 ILE H 1 69 ILE HA 3.000 . 4.100 2.785 2.733 2.848 . 0 0 "[ . 1 . 2]" 1
581 1 69 ILE H 1 69 ILE HB 2.100 . 2.700 2.597 2.500 2.710 0.010 12 0 "[ . 1 . 2]" 1
582 1 69 ILE H 1 69 ILE MD 2.500 . 3.300 3.037 2.760 3.157 . 0 0 "[ . 1 . 2]" 1
583 1 69 ILE H 1 69 ILE MG 3.200 . 4.500 3.774 3.758 3.783 . 0 0 "[ . 1 . 2]" 1
584 1 69 ILE H 1 78 HIS QB 3.000 . 5.500 5.229 4.942 5.311 . 0 0 "[ . 1 . 2]" 1
585 1 69 ILE HA 1 69 ILE HB 1.900 . 2.400 2.227 2.108 2.358 . 0 0 "[ . 1 . 2]" 1
586 1 69 ILE HA 1 69 ILE MG 2.100 . 2.700 2.377 2.287 2.487 . 0 0 "[ . 1 . 2]" 1
587 1 69 ILE HA 1 72 THR H 3.000 . 4.100 3.232 3.129 3.338 . 0 0 "[ . 1 . 2]" 1
588 1 69 ILE HA 1 72 THR H 3.000 . 4.000 3.713 3.472 4.001 0.001 14 0 "[ . 1 . 2]" 1
589 1 69 ILE HB 1 71 GLU H 2.800 . 5.500 4.958 4.798 5.168 . 0 0 "[ . 1 . 2]" 1
590 1 69 ILE MG 1 73 VAL H 3.000 . 4.100 3.462 3.180 3.724 . 0 0 "[ . 1 . 2]" 1
591 1 69 ILE O 1 73 VAL H 2.000 . 2.500 1.896 1.803 1.985 . 0 0 "[ . 1 . 2]" 1
592 1 70 PRO O 1 74 LYS H 2.000 . 2.500 2.508 2.441 2.533 0.033 8 0 "[ . 1 . 2]" 1
593 1 71 GLU H 1 71 GLU HA 2.500 . 3.300 2.837 2.808 2.856 . 0 0 "[ . 1 . 2]" 1
594 1 71 GLU H 1 71 GLU HB2 2.200 . 2.800 2.177 2.065 2.562 . 0 0 "[ . 1 . 2]" 1
595 1 71 GLU H 1 71 GLU HG2 2.900 . 4.000 3.658 2.055 4.591 0.591 8 2 "[ .- + 1 . 2]" 1
596 1 71 GLU H 1 72 THR H 2.400 . 3.100 2.773 2.634 2.935 . 0 0 "[ . 1 . 2]" 1
597 1 71 GLU HA 1 71 GLU HG2 2.300 . 3.000 3.024 2.282 3.675 0.675 20 5 "[*- . 1 . **+]" 1
598 1 71 GLU QB 1 71 GLU HG3 1.800 . 2.200 2.292 2.139 2.523 0.323 17 0 "[ . 1 . 2]" 1
599 1 71 GLU HB3 1 72 THR H 2.600 . 3.400 2.821 2.211 3.364 . 0 0 "[ . 1 . 2]" 1
600 1 71 GLU HB3 1 72 THR HA 2.000 . 5.500 2.744 1.668 3.517 . 0 0 "[ . 1 . 2]" 1
601 1 71 GLU O 1 75 LYS H 2.000 . 2.500 2.600 2.578 2.644 0.144 20 0 "[ . 1 . 2]" 1
602 1 72 THR H 1 72 THR HA 2.800 . 3.800 2.782 2.765 2.810 . 0 0 "[ . 1 . 2]" 1
603 1 72 THR H 1 72 THR HB 2.500 . 3.300 3.120 2.729 3.400 0.100 4 0 "[ . 1 . 2]" 1
604 1 72 THR H 1 72 THR MG 3.300 . 4.700 3.410 3.006 3.723 . 0 0 "[ . 1 . 2]" 1
605 1 72 THR H 1 73 VAL H 2.500 . 3.300 2.800 2.697 2.916 . 0 0 "[ . 1 . 2]" 1
606 1 72 THR H 1 73 VAL MG1 3.300 . 4.700 4.278 3.789 5.424 0.724 12 1 "[ . 1 + . 2]" 1
607 1 72 THR HA 1 75 LYS H 3.000 . 4.000 3.468 3.306 3.849 . 0 0 "[ . 1 . 2]" 1
608 1 72 THR HB 1 72 THR MG 1.800 . 2.200 2.093 2.072 2.113 . 0 0 "[ . 1 . 2]" 1
609 1 72 THR HB 1 73 VAL H 2.900 . 4.000 2.881 2.344 3.244 . 0 0 "[ . 1 . 2]" 1
610 1 72 THR MG 1 75 LYS QE 2.600 . 3.400 3.300 2.920 3.436 0.036 17 0 "[ . 1 . 2]" 1
611 1 72 THR MG 1 78 HIS HA 2.200 . 2.800 2.547 1.594 2.824 0.024 18 0 "[ . 1 . 2]" 1
612 1 73 VAL H 1 73 VAL HA 3.000 . 4.100 2.813 2.770 2.871 . 0 0 "[ . 1 . 2]" 1
613 1 73 VAL H 1 73 VAL HB 2.500 . 3.300 2.847 2.394 3.578 0.278 3 0 "[ . 1 . 2]" 1
614 1 73 VAL H 1 74 LYS H 2.400 . 3.100 2.596 2.411 2.737 . 0 0 "[ . 1 . 2]" 1
615 1 73 VAL HA 1 73 VAL HB 2.000 . 2.500 2.486 2.297 2.710 0.210 12 0 "[ . 1 . 2]" 1
616 1 73 VAL HA 1 73 VAL MG2 2.500 . 3.300 2.536 2.077 3.204 . 0 0 "[ . 1 . 2]" 1
617 1 73 VAL HA 1 76 LEU H 3.000 . 4.000 4.078 4.030 4.135 0.135 17 0 "[ . 1 . 2]" 1
618 1 73 VAL HB 1 73 VAL QG 1.800 . 2.200 1.673 1.666 1.680 . 0 0 "[ . 1 . 2]" 1
619 1 73 VAL HB 1 77 GLY HA2 2.100 . 5.500 3.369 3.154 3.973 . 0 0 "[ . 1 . 2]" 1
620 1 74 LYS H 1 74 LYS HA 2.400 . 3.100 2.814 2.799 2.822 . 0 0 "[ . 1 . 2]" 1
621 1 74 LYS HA 1 74 LYS HD2 2.400 . 3.100 2.993 2.370 3.810 0.710 9 1 "[ . +1 . 2]" 1
622 1 74 LYS HA 1 74 LYS HG2 2.300 . 3.000 3.217 2.056 3.769 0.769 10 8 "[* * .*- +* * . *]" 1
623 1 74 LYS QB 1 75 LYS H 2.000 . 2.500 2.515 2.299 2.552 0.052 15 0 "[ . 1 . 2]" 1
624 1 74 LYS QD 1 74 LYS HE3 2.000 . 2.500 2.101 2.084 2.131 . 0 0 "[ . 1 . 2]" 1
625 1 74 LYS HD3 1 74 LYS QE 1.800 . 2.200 1.940 1.859 2.126 . 0 0 "[ . 1 . 2]" 1
626 1 75 LYS H 1 75 LYS HA 2.600 . 3.400 2.917 2.905 2.922 . 0 0 "[ . 1 . 2]" 1
627 1 75 LYS H 1 75 LYS HD3 2.600 . 3.400 2.557 1.888 3.452 0.052 20 0 "[ . 1 . 2]" 1
628 1 75 LYS H 1 75 LYS QG 3.100 . 4.300 2.587 1.807 3.429 0.093 17 0 "[ . 1 . 2]" 1
629 1 75 LYS H 1 76 LEU H 2.500 . 3.300 2.838 2.605 2.958 . 0 0 "[ . 1 . 2]" 1
630 1 75 LYS HA 1 76 LEU H 3.500 . 5.000 3.557 3.533 3.616 . 0 0 "[ . 1 . 2]" 1
631 1 75 LYS QB 1 75 LYS QE 2.300 . 3.000 2.343 1.905 2.976 . 0 0 "[ . 1 . 2]" 1
632 1 75 LYS QD 1 75 LYS HE2 2.000 . 2.500 2.126 2.016 2.374 . 0 0 "[ . 1 . 2]" 1
633 1 75 LYS QE 1 75 LYS QG 2.500 . 3.300 2.344 1.952 2.740 . 0 0 "[ . 1 . 2]" 1
634 1 75 LYS QE 1 76 LEU QD 2.300 . 3.000 2.493 1.952 2.866 . 0 0 "[ . 1 . 2]" 1
635 1 76 LEU H 1 76 LEU HA 2.800 . 3.800 2.935 2.932 2.941 . 0 0 "[ . 1 . 2]" 1
636 1 76 LEU H 1 76 LEU QB 2.100 . 5.500 3.050 3.014 3.085 . 0 0 "[ . 1 . 2]" 1
637 1 76 LEU H 1 76 LEU QD 2.700 . 3.600 2.182 1.591 2.602 0.209 6 0 "[ . 1 . 2]" 1
638 1 76 LEU H 1 76 LEU HG 2.700 . 3.600 2.267 1.756 3.612 0.044 1 0 "[ . 1 . 2]" 1
639 1 76 LEU H 1 77 GLY H 2.600 . 3.400 3.258 3.105 3.408 0.008 20 0 "[ . 1 . 2]" 1
640 1 76 LEU HA 1 77 GLY H 2.700 . 3.600 3.441 3.384 3.476 . 0 0 "[ . 1 . 2]" 1
641 1 76 LEU HB2 1 76 LEU MD1 2.000 . 2.500 1.634 1.538 1.768 . 0 0 "[ . 1 . 2]" 1
642 1 76 LEU HB2 1 78 HIS H 2.900 . 4.000 4.051 4.013 4.128 0.128 20 0 "[ . 1 . 2]" 1
643 1 76 LEU QD 1 76 LEU HG 1.800 . 2.200 1.866 1.855 1.893 . 0 0 "[ . 1 . 2]" 1
644 1 76 LEU QD 1 76 LEU HG 2.000 . 2.500 1.749 1.735 1.767 . 0 0 "[ . 1 . 2]" 1
645 1 76 LEU QD 1 77 GLY H 3.200 . 4.500 2.094 1.880 2.427 0.020 9 0 "[ . 1 . 2]" 1
646 1 76 LEU QD 1 97 VAL MG1 2.500 . 3.300 3.106 2.706 3.327 0.027 16 0 "[ . 1 . 2]" 1
647 1 76 LEU HG 1 77 GLY H 3.300 . 4.700 2.487 2.265 3.027 . 0 0 "[ . 1 . 2]" 1
648 1 76 LEU HG 1 77 GLY HA2 2.600 . 5.500 5.021 4.497 5.932 0.432 9 0 "[ . 1 . 2]" 1
649 1 76 LEU HG 1 78 HIS H 3.400 . 4.800 4.806 4.643 4.867 0.067 13 0 "[ . 1 . 2]" 1
650 1 77 GLY H 1 77 GLY HA2 2.300 . 3.000 2.929 2.919 2.949 . 0 0 "[ . 1 . 2]" 1
651 1 77 GLY H 1 77 GLY HA3 2.400 . 3.100 2.605 2.534 2.629 . 0 0 "[ . 1 . 2]" 1
652 1 77 GLY H 1 78 HIS H 2.300 . 3.000 2.853 2.775 2.954 . 0 0 "[ . 1 . 2]" 1
653 1 77 GLY HA2 1 78 HIS H 3.100 . 4.300 3.523 3.489 3.540 . 0 0 "[ . 1 . 2]" 1
654 1 77 GLY HA2 1 78 HIS QB 1.800 . 5.500 4.909 4.360 5.065 . 0 0 "[ . 1 . 2]" 1
655 1 77 GLY HA3 1 78 HIS H 3.400 . 4.800 2.332 2.271 2.372 . 0 0 "[ . 1 . 2]" 1
656 1 78 HIS H 1 78 HIS HA 2.900 . 4.000 2.904 2.890 2.914 . 0 0 "[ . 1 . 2]" 1
657 1 78 HIS H 1 78 HIS QB 2.600 . 4.100 3.280 2.792 3.348 . 0 0 "[ . 1 . 2]" 1
658 1 78 HIS H 1 80 VAL QG 2.900 . 4.000 4.022 3.996 4.101 0.101 18 0 "[ . 1 . 2]" 1
659 1 78 HIS HA 1 78 HIS QB 2.200 . 2.800 2.170 2.152 2.419 . 0 0 "[ . 1 . 2]" 1
660 1 78 HIS HA 1 79 GLU H 2.200 . 2.800 2.357 2.250 2.502 . 0 0 "[ . 1 . 2]" 1
661 1 78 HIS HA 1 79 GLU QG 2.400 . 3.100 3.055 2.986 3.099 . 0 0 "[ . 1 . 2]" 1
662 1 78 HIS QB 1 79 GLU H 2.300 . 3.000 2.647 2.316 2.969 . 0 0 "[ . 1 . 2]" 1
663 1 78 HIS QB 1 79 GLU HA 2.000 . 5.500 4.232 4.089 4.389 . 0 0 "[ . 1 . 2]" 1
664 1 78 HIS QB 1 80 VAL QG 1.800 . 2.200 1.948 1.722 2.194 . 0 0 "[ . 1 . 2]" 1
665 1 78 HIS QB 1 80 VAL QG 2.600 . 3.400 1.930 1.721 2.175 0.079 12 0 "[ . 1 . 2]" 1
666 1 78 HIS QB 1 80 VAL QG 2.200 . 2.800 1.899 1.710 2.110 . 0 0 "[ . 1 . 2]" 1
667 1 78 HIS HE1 1 98 LYS H 5.000 3.000 10.000 9.877 9.529 10.017 0.017 14 0 "[ . 1 . 2]" 1
668 1 79 GLU H 1 95 ILE MD 2.700 . 3.600 3.449 2.553 3.644 0.044 9 0 "[ . 1 . 2]" 1
669 1 79 GLU H 1 96 LYS H 3.200 2.200 4.200 4.454 4.414 4.512 0.312 18 0 "[ . 1 . 2]" 1
670 1 79 GLU HA 1 79 GLU QB 2.300 . 3.000 2.081 2.012 2.214 . 0 0 "[ . 1 . 2]" 1
671 1 79 GLU HA 1 79 GLU QG 2.500 . 3.300 2.725 2.424 2.928 . 0 0 "[ . 1 . 2]" 1
672 1 79 GLU QB 1 80 VAL H 2.700 . 5.500 3.912 3.865 3.965 . 0 0 "[ . 1 . 2]" 1
673 1 79 GLU HB3 1 81 LEU QD 2.900 . 4.000 2.330 1.641 3.576 0.159 11 0 "[ . 1 . 2]" 1
674 1 79 GLU QG 1 95 ILE MG 1.900 . 2.400 1.942 1.677 2.257 . 0 0 "[ . 1 . 2]" 1
675 1 79 GLU QG 1 95 ILE HA 2.100 . 5.500 4.031 3.605 4.664 . 0 0 "[ . 1 . 2]" 1
676 1 80 VAL H 1 80 VAL HA 3.000 . 4.100 2.920 2.914 2.926 . 0 0 "[ . 1 . 2]" 1
677 1 80 VAL H 1 80 VAL HB 2.200 . 5.500 3.052 2.856 3.269 . 0 0 "[ . 1 . 2]" 1
678 1 80 VAL H 1 80 VAL QG 2.300 . 3.000 1.776 1.599 1.926 0.001 19 0 "[ . 1 . 2]" 1
679 1 80 VAL HA 1 80 VAL QG 2.000 . 2.500 2.184 1.954 2.407 . 0 0 "[ . 1 . 2]" 1
680 1 80 VAL HA 1 81 LEU H 2.100 . 2.700 2.127 2.110 2.139 . 0 0 "[ . 1 . 2]" 1
681 1 80 VAL HA 1 82 GLU H 3.000 . 4.100 3.746 3.576 3.845 . 0 0 "[ . 1 . 2]" 1
682 1 80 VAL HA 1 96 LYS H 3.400 . 4.800 4.257 4.079 4.537 . 0 0 "[ . 1 . 2]" 1
683 1 80 VAL HB 1 80 VAL QG 1.600 . 2.200 1.885 1.876 1.896 . 0 0 "[ . 1 . 2]" 1
684 1 80 VAL QG 1 81 LEU H 2.300 . 3.000 2.733 2.541 2.973 . 0 0 "[ . 1 . 2]" 1
685 1 80 VAL QG 1 82 GLU H 2.300 . 3.000 2.701 2.056 2.856 . 0 0 "[ . 1 . 2]" 1
686 1 80 VAL QG 1 94 TYR H 2.400 . 5.500 3.894 2.838 4.491 . 0 0 "[ . 1 . 2]" 1
687 1 81 LEU H 1 81 LEU QD 3.300 . 4.700 2.780 1.607 3.282 0.293 17 0 "[ . 1 . 2]" 1
688 1 81 LEU H 1 81 LEU HG 2.500 . 3.300 2.723 2.416 3.233 . 0 0 "[ . 1 . 2]" 1
689 1 81 LEU H 1 82 GLU H 2.500 . 3.300 1.838 1.757 1.911 . 0 0 "[ . 1 . 2]" 1
690 1 81 LEU H 1 95 ILE HA 2.800 . 3.800 3.652 3.538 3.822 0.022 18 0 "[ . 1 . 2]" 1
691 1 81 LEU H 1 96 LYS H 3.200 . 5.500 4.667 4.492 4.758 . 0 0 "[ . 1 . 2]" 1
692 1 81 LEU H 1 96 LYS QD 2.600 . 5.500 5.111 3.471 5.364 . 0 0 "[ . 1 . 2]" 1
693 1 81 LEU HA 1 81 LEU QB 2.000 . 2.500 2.161 2.148 2.171 . 0 0 "[ . 1 . 2]" 1
694 1 81 LEU HA 1 81 LEU QD 2.400 . 5.500 3.339 3.216 3.419 . 0 0 "[ . 1 . 2]" 1
695 1 81 LEU HA 1 82 GLU H 2.600 . 3.400 3.515 3.490 3.531 0.131 14 0 "[ . 1 . 2]" 1
696 1 81 LEU HB2 1 81 LEU QD 1.800 . 2.200 1.736 1.680 1.760 . 0 0 "[ . 1 . 2]" 1
697 1 81 LEU MD1 1 81 LEU MD2 2.000 . 2.500 2.028 1.853 2.090 . 0 0 "[ . 1 . 2]" 1
698 1 81 LEU QD 1 81 LEU HG 2.200 . 2.800 1.875 1.851 1.893 . 0 0 "[ . 1 . 2]" 1
699 1 81 LEU QD 1 82 GLU H 3.600 . 5.200 2.843 2.065 3.117 . 0 0 "[ . 1 . 2]" 1
700 1 81 LEU QD 1 94 TYR HB2 2.700 . 3.600 2.917 2.657 3.206 . 0 0 "[ . 1 . 2]" 1
701 1 81 LEU QD 1 94 TYR HB3 2.100 . 2.700 2.020 1.765 2.396 . 0 0 "[ . 1 . 2]" 1
702 1 81 LEU QD 1 96 LYS H 3.100 . 4.300 2.947 2.237 3.498 . 0 0 "[ . 1 . 2]" 1
703 1 81 LEU QD 1 96 LYS HA 2.700 . 3.600 3.431 3.082 3.660 0.060 18 0 "[ . 1 . 2]" 1
704 1 81 LEU QD 1 96 LYS QB 2.300 . 2.700 1.727 1.481 1.912 0.119 17 0 "[ . 1 . 2]" 1
705 1 81 LEU HG 1 82 GLU H 2.300 . 3.000 2.022 1.795 2.482 . 0 0 "[ . 1 . 2]" 1
706 1 81 LEU HG 1 94 TYR HB2 2.400 . 3.100 2.604 2.311 2.841 . 0 0 "[ . 1 . 2]" 1
707 1 81 LEU HG 1 94 TYR HB3 2.000 . 2.500 2.100 1.778 2.542 0.042 10 0 "[ . 1 . 2]" 1
708 1 82 GLU H 1 82 GLU HA 2.900 . 4.000 2.904 2.891 2.922 . 0 0 "[ . 1 . 2]" 1
709 1 82 GLU H 1 82 GLU HB2 3.000 . 4.100 3.086 2.882 3.606 . 0 0 "[ . 1 . 2]" 1
710 1 82 GLU H 1 82 GLU QG 3.200 . 5.500 4.197 3.962 4.445 . 0 0 "[ . 1 . 2]" 1
711 1 82 GLU H 1 94 TYR H 2.800 . 3.800 3.614 3.425 3.820 0.020 9 0 "[ . 1 . 2]" 1
712 1 82 GLU H 1 94 TYR HB2 2.700 . 3.600 2.555 2.307 2.733 . 0 0 "[ . 1 . 2]" 1
713 1 82 GLU H 1 94 TYR HB3 3.000 . 4.100 3.229 2.789 3.642 . 0 0 "[ . 1 . 2]" 1
714 1 82 GLU H 1 94 TYR O 2.000 . 2.500 2.673 2.615 2.779 0.279 17 0 "[ . 1 . 2]" 1
715 1 82 GLU HA 1 82 GLU QG 2.200 . 2.800 2.317 2.002 2.731 . 0 0 "[ . 1 . 2]" 1
716 1 82 GLU HA 1 83 ILE H 2.100 . 2.700 2.213 2.133 2.286 . 0 0 "[ . 1 . 2]" 1
717 1 82 GLU HB2 1 82 GLU QG 1.800 . 2.200 2.232 2.125 2.524 0.324 8 0 "[ . 1 . 2]" 1
718 1 82 GLU HB3 1 83 ILE H 2.800 . 3.800 3.584 3.245 4.112 0.312 1 0 "[ . 1 . 2]" 1
719 1 82 GLU QG 1 83 ILE H 2.500 . 3.300 2.608 2.021 3.268 . 0 0 "[ . 1 . 2]" 1
720 1 82 GLU O 1 94 TYR H 2.000 . 2.500 1.945 1.808 2.108 . 0 0 "[ . 1 . 2]" 1
721 1 83 ILE H 1 83 ILE HB 2.400 . 3.100 2.940 2.827 3.291 0.191 15 0 "[ . 1 . 2]" 1
722 1 83 ILE H 1 83 ILE MD 2.500 . 3.300 3.054 2.616 3.438 0.138 15 0 "[ . 1 . 2]" 1
723 1 83 ILE HA 1 83 ILE HB 2.200 . 2.800 2.158 1.969 2.356 . 0 0 "[ . 1 . 2]" 1
724 1 83 ILE HA 1 83 ILE MD 2.400 . 3.100 2.722 2.236 3.131 0.031 14 0 "[ . 1 . 2]" 1
725 1 83 ILE HA 1 83 ILE MG 2.300 . 3.000 2.268 1.998 2.876 . 0 0 "[ . 1 . 2]" 1
726 1 83 ILE HA 1 84 GLU H 2.000 . 2.500 2.200 2.165 2.253 . 0 0 "[ . 1 . 2]" 1
727 1 83 ILE HA 1 84 GLU HG2 1.900 . 5.500 3.112 2.995 3.216 . 0 0 "[ . 1 . 2]" 1
728 1 83 ILE HA 1 94 TYR H 3.200 . 4.500 3.168 2.975 3.379 . 0 0 "[ . 1 . 2]" 1
729 1 83 ILE HB 1 83 ILE MD 1.700 . 2.200 1.776 1.718 1.867 . 0 0 "[ . 1 . 2]" 1
730 1 83 ILE MD 1 84 GLU H 2.600 . 5.500 4.985 3.395 5.269 . 0 0 "[ . 1 . 2]" 1
731 1 83 ILE MG 1 84 GLU H 3.300 . 4.700 2.478 2.088 4.217 . 0 0 "[ . 1 . 2]" 1
732 1 84 GLU H 1 84 GLU QG 2.400 . 3.100 2.462 2.183 2.686 . 0 0 "[ . 1 . 2]" 1
733 1 84 GLU H 1 92 LYS H 2.800 . 3.800 3.837 3.804 3.863 0.063 10 0 "[ . 1 . 2]" 1
734 1 84 GLU H 1 92 LYS O 2.000 . 2.500 2.066 1.999 2.166 . 0 0 "[ . 1 . 2]" 1
735 1 84 GLU H 1 93 ILE HA 3.200 . 4.500 3.073 2.778 3.374 . 0 0 "[ . 1 . 2]" 1
736 1 84 GLU HA 1 84 GLU QB 2.500 . 3.300 2.175 2.165 2.180 . 0 0 "[ . 1 . 2]" 1
737 1 84 GLU HA 1 85 GLU H 2.000 . 2.500 2.553 2.504 2.601 0.101 13 0 "[ . 1 . 2]" 1
738 1 84 GLU HB2 1 85 GLU H 2.800 . 3.800 2.064 1.916 2.299 . 0 0 "[ . 1 . 2]" 1
739 1 84 GLU HB2 1 85 GLU HA 2.300 . 5.500 3.546 3.400 3.724 . 0 0 "[ . 1 . 2]" 1
740 1 84 GLU QG 1 92 LYS HB2 2.200 . 2.800 2.096 1.706 2.600 . 0 0 "[ . 1 . 2]" 1
741 1 84 GLU QG 1 85 GLU H 3.100 . 4.300 3.394 2.895 3.706 . 0 0 "[ . 1 . 2]" 1
742 1 84 GLU HG3 1 92 LYS H 2.900 . 4.000 3.277 2.637 4.286 0.286 15 0 "[ . 1 . 2]" 1
743 1 84 GLU O 1 92 LYS H 2.000 . 2.500 2.195 1.948 2.397 . 0 0 "[ . 1 . 2]" 1
744 1 85 GLU H 1 85 GLU QG 2.300 . 3.000 2.220 1.948 2.709 . 0 0 "[ . 1 . 2]" 1
745 1 85 GLU HA 1 85 GLU QB 1.900 . 2.400 2.182 2.151 2.224 . 0 0 "[ . 1 . 2]" 1
746 1 85 GLU HA 1 85 GLU QG 1.900 . 5.500 3.019 2.669 3.126 . 0 0 "[ . 1 . 2]" 1
747 1 85 GLU HA 1 86 VAL H 2.200 . 2.800 2.440 2.349 2.575 . 0 0 "[ . 1 . 2]" 1
748 1 85 GLU HA 1 91 TRP HB2 2.000 . 5.500 3.326 2.406 4.329 . 0 0 "[ . 1 . 2]" 1
749 1 85 GLU HA 1 91 TRP HB3 2.200 . 2.800 2.452 1.986 2.813 0.013 17 0 "[ . 1 . 2]" 1
750 1 86 VAL H 1 86 VAL HA 2.900 . 4.000 2.943 2.924 2.949 . 0 0 "[ . 1 . 2]" 1
751 1 86 VAL H 1 86 VAL HB 2.800 . 3.800 3.010 2.642 3.722 . 0 0 "[ . 1 . 2]" 1
752 1 86 VAL H 1 86 VAL QG 2.700 . 3.600 2.399 1.840 2.827 0.060 6 0 "[ . 1 . 2]" 1
753 1 86 VAL H 1 87 GLY H 2.400 . 3.100 2.267 1.956 2.613 . 0 0 "[ . 1 . 2]" 1
754 1 86 VAL H 1 91 TRP HA 2.700 . 3.600 2.298 1.887 2.722 . 0 0 "[ . 1 . 2]" 1
755 1 86 VAL HA 1 86 VAL QG 1.900 . 2.400 2.129 1.988 2.406 0.006 14 0 "[ . 1 . 2]" 1
756 1 86 VAL HA 1 87 GLY H 2.600 . 5.500 3.571 3.556 3.576 . 0 0 "[ . 1 . 2]" 1
757 1 86 VAL MG1 1 86 VAL MG2 1.800 . 2.200 2.040 1.966 2.094 . 0 0 "[ . 1 . 2]" 1
758 1 86 VAL QG 1 87 GLY H 3.300 . 4.100 2.666 1.864 3.085 0.036 14 0 "[ . 1 . 2]" 1
759 1 86 VAL QG 1 91 TRP HA 2.100 . 2.700 2.419 1.688 2.697 . 0 0 "[ . 1 . 2]" 1
760 1 86 VAL QG 1 91 TRP HB2 2.600 . 5.500 3.073 2.256 3.755 . 0 0 "[ . 1 . 2]" 1
761 1 87 GLY H 1 87 GLY HA3 2.700 . 3.600 2.508 2.487 2.552 . 0 0 "[ . 1 . 2]" 1
762 1 87 GLY H 1 90 GLU H 2.800 . 3.800 3.674 3.324 3.809 0.009 17 0 "[ . 1 . 2]" 1
763 1 87 GLY H 1 90 GLU HB2 2.800 . 3.800 3.449 2.205 3.749 . 0 0 "[ . 1 . 2]" 1
764 1 87 GLY H 1 90 GLU HB3 3.400 . 4.800 4.626 3.905 4.815 0.015 17 0 "[ . 1 . 2]" 1
765 1 87 GLY H 1 90 GLU HG3 2.600 . 3.400 2.319 1.794 3.466 0.066 9 0 "[ . 1 . 2]" 1
766 1 87 GLY HA3 1 90 GLU HG2 2.500 . 3.300 2.717 2.114 3.152 . 0 0 "[ . 1 . 2]" 1
767 1 87 GLY HA3 1 90 GLU HG3 1.900 . 2.400 2.330 2.024 2.771 0.371 20 0 "[ . 1 . 2]" 1
768 1 89 SER H 1 89 SER HA 2.400 . 3.100 2.925 2.916 2.930 . 0 0 "[ . 1 . 2]" 1
769 1 89 SER H 1 89 SER QB 2.700 . 3.600 2.860 2.553 3.024 . 0 0 "[ . 1 . 2]" 1
770 1 89 SER H 1 90 GLU H 2.500 . 3.300 2.257 2.203 2.308 . 0 0 "[ . 1 . 2]" 1
771 1 89 SER H 1 90 GLU HG2 3.400 . 4.800 3.130 2.952 3.369 . 0 0 "[ . 1 . 2]" 1
772 1 89 SER HA 1 89 SER HB2 2.500 . 3.300 2.708 2.362 2.987 . 0 0 "[ . 1 . 2]" 1
773 1 89 SER HA 1 89 SER QB 1.800 . 2.200 2.186 2.158 2.234 0.034 15 0 "[ . 1 . 2]" 1
774 1 89 SER HA 1 90 GLU H 2.500 . 3.200 3.268 3.234 3.312 0.112 17 0 "[ . 1 . 2]" 1
775 1 90 GLU H 1 90 GLU HB2 3.000 . 4.100 3.531 3.177 3.599 . 0 0 "[ . 1 . 2]" 1
776 1 90 GLU H 1 90 GLU HB3 3.000 . 4.100 3.162 3.011 3.541 . 0 0 "[ . 1 . 2]" 1
777 1 90 GLU H 1 91 TRP H 5.000 3.000 55.000 4.480 4.379 4.549 . 0 0 "[ . 1 . 2]" 1
778 1 90 GLU HA 1 90 GLU HB2 2.400 . 3.100 2.640 2.567 2.881 . 0 0 "[ . 1 . 2]" 1
779 1 90 GLU HA 1 90 GLU HB3 2.100 . 2.700 2.304 2.237 2.348 . 0 0 "[ . 1 . 2]" 1
780 1 90 GLU HA 1 91 TRP H 2.100 . 2.700 2.169 2.134 2.217 . 0 0 "[ . 1 . 2]" 1
781 1 90 GLU HB3 1 91 TRP H 3.500 . 5.000 3.947 3.484 4.168 . 0 0 "[ . 1 . 2]" 1
782 1 90 GLU HG3 1 91 TRP H 3.200 . 5.500 4.966 4.570 5.605 0.105 9 0 "[ . 1 . 2]" 1
783 1 91 TRP H 1 91 TRP HB2 3.100 . 4.300 3.317 2.710 3.814 . 0 0 "[ . 1 . 2]" 1
784 1 91 TRP H 1 91 TRP HE3 3.500 . 5.000 4.412 3.489 4.915 . 0 0 "[ . 1 . 2]" 1
785 1 91 TRP HA 1 91 TRP HB2 2.500 . 3.300 2.828 2.598 3.027 . 0 0 "[ . 1 . 2]" 1
786 1 91 TRP HA 1 91 TRP HB3 2.200 . 2.800 2.346 2.261 2.444 . 0 0 "[ . 1 . 2]" 1
787 1 91 TRP HA 1 92 LYS H 2.200 . 2.800 2.440 2.369 2.509 . 0 0 "[ . 1 . 2]" 1
788 1 91 TRP HB2 1 92 LYS H 3.000 . 4.100 2.835 2.206 3.533 . 0 0 "[ . 1 . 2]" 1
789 1 91 TRP HB2 1 93 ILE MD 2.400 . 5.500 3.185 2.261 4.202 . 0 0 "[ . 1 . 2]" 1
790 1 91 TRP HB3 1 92 LYS H 2.600 . 3.400 2.924 2.343 3.478 0.078 7 0 "[ . 1 . 2]" 1
791 1 91 TRP HD1 1 92 LYS H 3.500 . 5.000 4.314 4.047 4.610 . 0 0 "[ . 1 . 2]" 1
792 1 92 LYS H 1 92 LYS HB3 2.700 . 3.600 3.066 2.555 3.586 . 0 0 "[ . 1 . 2]" 1
793 1 92 LYS H 1 92 LYS QD 2.600 . 5.500 4.755 4.493 5.019 . 0 0 "[ . 1 . 2]" 1
794 1 92 LYS H 1 92 LYS QG 2.900 . 4.000 3.942 3.440 4.106 0.106 20 0 "[ . 1 . 2]" 1
795 1 92 LYS HA 1 92 LYS QG 2.200 . 2.800 2.237 2.016 2.588 . 0 0 "[ . 1 . 2]" 1
796 1 92 LYS HA 1 93 ILE H 2.200 . 2.800 2.176 2.137 2.253 . 0 0 "[ . 1 . 2]" 1
797 1 92 LYS QB 1 92 LYS HG3 2.000 . 2.500 2.107 2.077 2.127 . 0 0 "[ . 1 . 2]" 1
798 1 92 LYS HB2 1 92 LYS HG3 1.800 . 2.200 2.157 2.135 2.175 . 0 0 "[ . 1 . 2]" 1
799 1 92 LYS QD 1 92 LYS HG2 1.800 . 2.200 2.029 1.933 2.101 . 0 0 "[ . 1 . 2]" 1
800 1 92 LYS QD 1 92 LYS QG 2.100 . 2.700 1.982 1.882 2.063 . 0 0 "[ . 1 . 2]" 1
801 1 92 LYS QD 1 93 ILE H 2.700 . 5.500 4.403 3.519 4.904 . 0 0 "[ . 1 . 2]" 1
802 1 92 LYS HG3 1 93 ILE H 2.600 . 3.400 3.328 2.143 3.792 0.392 3 0 "[ . 1 . 2]" 1
803 1 93 ILE H 1 93 ILE HB 2.400 . 3.100 2.838 2.676 3.102 0.002 14 0 "[ . 1 . 2]" 1
804 1 93 ILE HA 1 94 TYR H 2.100 . 2.700 2.270 2.191 2.411 . 0 0 "[ . 1 . 2]" 1
805 1 93 ILE HB 1 93 ILE MD 1.500 . 2.200 1.922 1.826 2.098 . 0 0 "[ . 1 . 2]" 1
806 1 93 ILE HB 1 93 ILE MG 1.800 . 2.200 2.113 2.083 2.126 . 0 0 "[ . 1 . 2]" 1
807 1 93 ILE HB 1 94 TYR H 3.200 . 4.500 3.650 3.176 3.938 . 0 0 "[ . 1 . 2]" 1
808 1 93 ILE MG 1 95 ILE MD 2.500 . 3.300 2.739 2.231 3.295 . 0 0 "[ . 1 . 2]" 1
809 1 94 TYR H 1 94 TYR HB2 2.600 . 3.400 2.500 2.424 2.608 . 0 0 "[ . 1 . 2]" 1
810 1 94 TYR H 1 94 TYR HB3 2.800 . 3.800 3.655 3.496 3.731 . 0 0 "[ . 1 . 2]" 1
811 1 94 TYR H 1 94 TYR QD 3.500 . 5.000 2.948 2.563 3.493 . 0 0 "[ . 1 . 2]" 1
812 1 94 TYR HA 1 94 TYR HB2 2.500 . 3.300 2.998 2.941 3.023 . 0 0 "[ . 1 . 2]" 1
813 1 94 TYR HA 1 94 TYR HB3 2.100 . 2.700 2.609 2.523 2.731 0.031 15 0 "[ . 1 . 2]" 1
814 1 94 TYR HA 1 95 ILE H 2.200 . 2.800 2.125 2.107 2.148 . 0 0 "[ . 1 . 2]" 1
815 1 94 TYR HB3 1 95 ILE H 3.200 . 4.500 3.357 3.107 3.606 . 0 0 "[ . 1 . 2]" 1
816 1 94 TYR QD 1 95 ILE H 3.500 . 5.000 4.206 3.706 4.587 . 0 0 "[ . 1 . 2]" 1
817 1 95 ILE H 1 95 ILE HB 2.300 . 3.000 2.521 2.392 2.832 . 0 0 "[ . 1 . 2]" 1
818 1 95 ILE H 1 95 ILE MD 2.300 . 5.500 3.788 3.416 4.173 . 0 0 "[ . 1 . 2]" 1
819 1 95 ILE HA 1 95 ILE MD 1.900 . 2.400 2.221 1.915 2.420 0.020 18 0 "[ . 1 . 2]" 1
820 1 95 ILE HA 1 95 ILE MG 2.500 . 3.300 2.848 2.465 3.163 . 0 0 "[ . 1 . 2]" 1
821 1 95 ILE HA 1 96 LYS H 2.100 . 2.700 2.290 2.165 2.328 . 0 0 "[ . 1 . 2]" 1
822 1 95 ILE HB 1 96 LYS H 3.100 . 4.300 2.760 2.533 3.171 . 0 0 "[ . 1 . 2]" 1
823 1 95 ILE MD 1 96 LYS H 2.200 . 5.500 3.598 3.030 3.990 . 0 0 "[ . 1 . 2]" 1
824 1 96 LYS H 1 96 LYS QB 2.200 . 5.500 2.803 2.547 3.270 . 0 0 "[ . 1 . 2]" 1
825 1 96 LYS H 1 96 LYS QD 2.300 . 5.500 3.756 2.358 4.537 . 0 0 "[ . 1 . 2]" 1
826 1 96 LYS HA 1 96 LYS QB 2.500 . 3.300 2.219 2.146 2.458 . 0 0 "[ . 1 . 2]" 1
827 1 96 LYS HA 1 96 LYS QD 2.200 . 5.500 3.959 2.700 4.222 . 0 0 "[ . 1 . 2]" 1
828 1 96 LYS HA 1 96 LYS HG2 2.400 . 3.100 2.900 2.692 3.348 0.248 14 0 "[ . 1 . 2]" 1
829 1 96 LYS HA 1 97 VAL H 2.200 . 2.800 2.139 2.092 2.194 . 0 0 "[ . 1 . 2]" 1
830 1 96 LYS QB 1 97 VAL H 3.300 . 4.700 3.727 3.235 3.941 . 0 0 "[ . 1 . 2]" 1
831 1 96 LYS QD 1 96 LYS QG 2.000 . 2.500 2.042 2.026 2.074 . 0 0 "[ . 1 . 2]" 1
832 1 96 LYS QD 1 97 VAL H 3.000 . 5.500 4.671 4.538 4.913 . 0 0 "[ . 1 . 2]" 1
833 1 97 VAL H 1 97 VAL HA 3.000 . 4.100 2.833 2.784 2.890 . 0 0 "[ . 1 . 2]" 1
834 1 97 VAL H 1 97 VAL HB 2.400 . 3.100 2.746 2.565 2.936 . 0 0 "[ . 1 . 2]" 1
835 1 97 VAL H 1 97 VAL MG2 2.200 . 2.800 1.854 1.630 2.300 . 0 0 "[ . 1 . 2]" 1
836 1 97 VAL HA 1 97 VAL QG 1.900 . 2.400 2.130 2.055 2.174 . 0 0 "[ . 1 . 2]" 1
837 1 97 VAL HA 1 98 LYS H 2.400 . 3.100 2.154 2.138 2.267 . 0 0 "[ . 1 . 2]" 1
838 1 97 VAL HB 1 97 VAL QG 1.800 . 2.200 1.874 1.859 1.892 . 0 0 "[ . 1 . 2]" 1
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