NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560209 |
2m52   |
19034 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m52
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 1747
_Distance_constraint_stats_list.Viol_count 3626
_Distance_constraint_stats_list.Viol_total 6374.072
_Distance_constraint_stats_list.Viol_max 0.989
_Distance_constraint_stats_list.Viol_rms 0.0443
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0879
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 1.097 0.132 13 0 "[ . 1 . 2]"
1 4 PRO 4.115 0.383 3 0 "[ . 1 . 2]"
1 5 THR 5.332 0.243 10 0 "[ . 1 . 2]"
1 6 GLU 2.568 0.597 5 1 "[ + 1 . 2]"
1 7 VAL 5.266 0.816 3 1 "[ + . 1 . 2]"
1 8 LEU 1.248 0.116 8 0 "[ . 1 . 2]"
1 9 CYS 1.625 0.106 16 0 "[ . 1 . 2]"
1 10 LEU 2.419 0.106 2 0 "[ . 1 . 2]"
1 11 MET 1.805 0.336 18 0 "[ . 1 . 2]"
1 12 ASN 1.931 0.336 18 0 "[ . 1 . 2]"
1 13 MET 1.985 0.125 5 0 "[ . 1 . 2]"
1 14 VAL 2.347 0.113 10 0 "[ . 1 . 2]"
1 15 LEU 1.833 0.087 4 0 "[ . 1 . 2]"
1 16 PRO 1.839 0.084 3 0 "[ . 1 . 2]"
1 17 GLU 2.889 0.102 15 0 "[ . 1 . 2]"
1 18 GLU 2.853 0.089 20 0 "[ . 1 . 2]"
1 19 LEU 5.969 0.103 1 0 "[ . 1 . 2]"
1 20 LEU 3.042 0.196 10 0 "[ . 1 . 2]"
1 21 ASP 7.749 0.862 9 3 "[ . +1 . **2]"
1 22 ASP 8.483 0.704 9 7 "[ . *+-*** . *2]"
1 23 GLU 10.306 0.704 9 8 "[ . *+**** . -*2]"
1 24 GLU 14.559 0.862 9 10 "[ ** .** +1* *- **]"
1 25 TYR 11.541 0.817 1 2 "[+ . - 1 . 2]"
1 26 GLU 13.503 0.550 4 1 "[ +. 1 . 2]"
1 27 GLU 3.896 0.381 4 0 "[ . 1 . 2]"
1 28 ILE 7.683 0.558 20 3 "[ - . 1 . *+]"
1 29 VAL 10.688 0.859 9 6 "[ - . * +1 *** 2]"
1 30 GLU 15.351 0.859 9 7 "[ * . * +1 *** -]"
1 31 ASP 10.394 0.902 16 4 "[ . * * .+ -]"
1 32 VAL 6.102 0.169 13 0 "[ . 1 . 2]"
1 33 ARG 6.991 0.898 13 3 "[ . - + .* 2]"
1 34 ASP 7.099 0.902 16 3 "[ . - * .+ 2]"
1 35 GLU 5.197 0.116 2 0 "[ . 1 . 2]"
1 36 CYS 1.818 0.123 10 0 "[ . 1 . 2]"
1 37 SER 1.211 0.123 10 0 "[ . 1 . 2]"
1 38 LYS 2.789 0.181 7 0 "[ . 1 . 2]"
1 39 TYR 4.749 0.181 7 0 "[ . 1 . 2]"
1 40 GLY 0.477 0.129 13 0 "[ . 1 . 2]"
1 41 LEU 7.311 0.410 2 0 "[ . 1 . 2]"
1 42 VAL 3.076 0.120 8 0 "[ . 1 . 2]"
1 43 LYS 4.392 0.571 17 1 "[ . 1 . + 2]"
1 44 SER 1.892 0.080 12 0 "[ . 1 . 2]"
1 45 ILE 5.591 0.123 1 0 "[ . 1 . 2]"
1 46 GLU 5.970 0.764 10 1 "[ . + . 2]"
1 47 ILE 13.378 0.789 13 4 "[ . * *1 + - 2]"
1 48 PRO 5.891 0.356 20 0 "[ . 1 . 2]"
1 49 ARG 14.303 0.817 1 5 "[+ -. * 1 * . * 2]"
1 50 PRO 2.318 0.085 4 0 "[ . 1 . 2]"
1 51 VAL 5.201 0.373 16 0 "[ . 1 . 2]"
1 52 ASP 8.583 0.497 16 0 "[ . 1 . 2]"
1 53 GLY 5.658 0.497 16 0 "[ . 1 . 2]"
1 54 VAL 6.117 0.394 18 0 "[ . 1 . 2]"
1 55 GLU 5.650 0.167 14 0 "[ . 1 . 2]"
1 56 VAL 8.646 0.108 9 0 "[ . 1 . 2]"
1 57 PRO 2.245 0.075 3 0 "[ . 1 . 2]"
1 58 GLY 2.294 0.084 17 0 "[ . 1 . 2]"
1 59 CYS 6.956 0.108 9 0 "[ . 1 . 2]"
1 60 GLY 1.052 0.780 14 1 "[ . 1 +. 2]"
1 61 LYS 7.216 0.780 14 1 "[ . 1 +. 2]"
1 62 ILE 8.550 0.789 13 4 "[ . - *1 + * 2]"
1 63 PHE 5.418 0.113 11 0 "[ . 1 . 2]"
1 64 VAL 1.133 0.122 16 0 "[ . 1 . 2]"
1 65 GLU 7.064 0.816 3 2 "[ + . 1 . -2]"
1 66 PHE 14.520 0.989 19 8 "[* ** * -* .* +2]"
1 67 THR 7.105 0.512 17 1 "[ . 1 . + 2]"
1 68 SER 5.139 0.862 9 3 "[ - . +1 * 2]"
1 69 VAL 8.028 0.796 14 2 "[ - . 1 +. 2]"
1 70 PHE 6.237 0.851 14 1 "[ . 1 +. 2]"
1 71 ASP 5.722 0.862 9 3 "[ - . +1 * 2]"
1 72 CYS 17.379 0.989 19 8 "[* ** * -* .* +2]"
1 73 GLN 10.876 0.851 14 2 "[ - . 1 +. 2]"
1 74 LYS 5.197 0.094 19 0 "[ . 1 . 2]"
1 75 ALA 1.803 0.087 18 0 "[ . 1 . 2]"
1 76 MET 7.887 0.143 14 0 "[ . 1 . 2]"
1 77 GLN 6.157 0.257 10 0 "[ . 1 . 2]"
1 78 GLY 2.067 0.257 10 0 "[ . 1 . 2]"
1 79 LEU 4.062 0.116 2 0 "[ . 1 . 2]"
1 80 THR 6.646 0.117 15 0 "[ . 1 . 2]"
1 81 GLY 2.311 0.099 10 0 "[ . 1 . 2]"
1 82 ARG 3.431 0.115 9 0 "[ . 1 . 2]"
1 83 LYS 8.426 0.439 8 0 "[ . 1 . 2]"
1 84 PHE 9.258 0.437 14 0 "[ . 1 . 2]"
1 85 ALA 3.692 0.086 3 0 "[ . 1 . 2]"
1 86 ASN 0.380 0.083 19 0 "[ . 1 . 2]"
1 87 ARG 5.788 0.250 20 0 "[ . 1 . 2]"
1 88 VAL 4.272 0.091 14 0 "[ . 1 . 2]"
1 89 VAL 2.327 0.097 7 0 "[ . 1 . 2]"
1 90 VAL 3.023 0.109 18 0 "[ . 1 . 2]"
1 91 THR 4.519 0.130 14 0 "[ . 1 . 2]"
1 92 LYS 2.541 0.268 16 0 "[ . 1 . 2]"
1 93 TYR 5.624 0.217 8 0 "[ . 1 . 2]"
1 94 CYS 4.297 0.243 10 0 "[ . 1 . 2]"
1 95 ASP 2.022 0.092 1 0 "[ . 1 . 2]"
1 96 PRO 5.760 0.095 1 0 "[ . 1 . 2]"
1 97 ASP 4.427 0.097 8 0 "[ . 1 . 2]"
1 98 SER 3.608 0.097 8 0 "[ . 1 . 2]"
1 99 TYR 9.182 0.764 10 2 "[ . + . -2]"
1 100 HIS 3.293 0.098 10 0 "[ . 1 . 2]"
1 101 ARG 0.404 0.075 9 0 "[ . 1 . 2]"
1 102 ARG 12.711 0.780 7 5 "[** . + *1- . 2]"
1 103 ASP 2.490 0.088 18 0 "[ . 1 . 2]"
1 104 PHE 8.911 0.722 1 3 "[+* . 1- . 2]"
1 105 TRP 1.212 0.450 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY QA 1 3 HIS H . . 3.260 2.256 2.144 2.399 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS H 1 3 HIS HB3 . . 3.750 2.858 2.399 3.451 . 0 0 "[ . 1 . 2]" 1
3 1 3 HIS H 1 3 HIS HD2 . . 5.200 4.576 3.648 5.013 . 0 0 "[ . 1 . 2]" 1
4 1 3 HIS H 1 4 PRO HD2 . . 5.370 4.830 4.716 4.937 . 0 0 "[ . 1 . 2]" 1
5 1 3 HIS H 1 4 PRO HD3 . . 5.500 5.140 4.853 5.322 . 0 0 "[ . 1 . 2]" 1
6 1 3 HIS HA 1 4 PRO HD2 . . 2.850 2.392 2.194 2.508 . 0 0 "[ . 1 . 2]" 1
7 1 3 HIS HA 1 4 PRO HD3 . . 3.140 2.528 2.403 2.642 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HA 1 4 PRO HG2 . . 4.520 4.560 4.388 4.652 0.132 13 0 "[ . 1 . 2]" 1
9 1 3 HIS HB2 1 4 PRO HD2 . . 4.120 2.214 2.075 2.335 . 0 0 "[ . 1 . 2]" 1
10 1 3 HIS HB2 1 5 THR MG . . 5.500 4.246 3.668 4.646 . 0 0 "[ . 1 . 2]" 1
11 1 3 HIS HB3 1 4 PRO HD2 . . 4.790 3.446 3.121 3.574 . 0 0 "[ . 1 . 2]" 1
12 1 3 HIS HB3 1 5 THR MG . . 5.500 4.998 4.587 5.347 . 0 0 "[ . 1 . 2]" 1
13 1 3 HIS HD2 1 5 THR HA . . 4.750 3.648 2.891 4.346 . 0 0 "[ . 1 . 2]" 1
14 1 3 HIS HD2 1 5 THR MG . . 3.690 2.535 2.110 3.019 . 0 0 "[ . 1 . 2]" 1
15 1 3 HIS HD2 1 69 VAL MG1 . . 5.250 4.615 4.092 5.097 . 0 0 "[ . 1 . 2]" 1
16 1 3 HIS HE1 1 5 THR MG . . 4.380 3.858 3.183 4.411 0.031 1 0 "[ . 1 . 2]" 1
17 1 4 PRO HA 1 5 THR H . . 3.010 2.279 2.159 2.377 . 0 0 "[ . 1 . 2]" 1
18 1 4 PRO HA 1 5 THR HA . . 4.660 4.514 4.484 4.553 . 0 0 "[ . 1 . 2]" 1
19 1 4 PRO HA 1 5 THR MG . . 3.980 3.600 3.340 3.926 . 0 0 "[ . 1 . 2]" 1
20 1 4 PRO HA 1 69 VAL MG1 . . 5.210 4.121 3.882 4.459 . 0 0 "[ . 1 . 2]" 1
21 1 4 PRO HA 1 93 TYR HB2 . . 5.180 3.955 3.147 4.695 . 0 0 "[ . 1 . 2]" 1
22 1 4 PRO HA 1 93 TYR HB3 . . 5.000 3.170 2.418 3.851 . 0 0 "[ . 1 . 2]" 1
23 1 4 PRO HA 1 93 TYR QD . . 3.870 3.162 2.736 3.768 . 0 0 "[ . 1 . 2]" 1
24 1 4 PRO HA 1 93 TYR QE . . 4.310 3.705 3.288 4.331 0.021 6 0 "[ . 1 . 2]" 1
25 1 4 PRO HB2 1 5 THR H . . 4.100 3.261 2.819 3.551 . 0 0 "[ . 1 . 2]" 1
26 1 4 PRO HB2 1 5 THR HA . . 4.840 4.425 4.210 4.755 . 0 0 "[ . 1 . 2]" 1
27 1 4 PRO HB2 1 69 VAL MG1 . . 3.300 2.353 2.128 2.649 . 0 0 "[ . 1 . 2]" 1
28 1 4 PRO HB2 1 69 VAL MG2 . . 4.790 4.512 4.029 4.873 0.083 13 0 "[ . 1 . 2]" 1
29 1 4 PRO HB2 1 73 GLN HE21 . . 5.500 3.076 1.904 3.647 . 0 0 "[ . 1 . 2]" 1
30 1 4 PRO HB2 1 73 GLN HE22 . . 4.680 3.991 2.226 4.741 0.061 6 0 "[ . 1 . 2]" 1
31 1 4 PRO HB2 1 73 GLN HG3 . . 4.640 3.385 2.823 5.023 0.383 3 0 "[ . 1 . 2]" 1
32 1 4 PRO HB2 1 93 TYR QD . . 5.460 4.429 3.782 5.127 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO HB2 1 93 TYR QE . . 5.230 3.690 2.985 4.522 . 0 0 "[ . 1 . 2]" 1
34 1 4 PRO HB3 1 5 THR H . . 3.940 3.897 3.671 4.018 0.078 17 0 "[ . 1 . 2]" 1
35 1 4 PRO HB3 1 69 VAL MG1 . . 4.020 3.760 3.509 4.097 0.077 8 0 "[ . 1 . 2]" 1
36 1 4 PRO HB3 1 73 GLN HE21 . . 4.460 4.055 2.489 4.532 0.072 7 0 "[ . 1 . 2]" 1
37 1 4 PRO HB3 1 73 GLN HG3 . . 4.310 3.834 2.970 4.640 0.330 12 0 "[ . 1 . 2]" 1
38 1 4 PRO HB3 1 93 TYR QE . . 3.820 3.209 2.845 3.754 . 0 0 "[ . 1 . 2]" 1
39 1 4 PRO HG2 1 69 VAL MG1 . . 5.160 2.738 2.167 3.427 . 0 0 "[ . 1 . 2]" 1
40 1 4 PRO HG2 1 73 GLN HE22 . . 4.800 4.130 3.011 4.825 0.025 6 0 "[ . 1 . 2]" 1
41 1 4 PRO HG3 1 69 VAL MG1 . . 4.880 3.749 3.242 4.484 . 0 0 "[ . 1 . 2]" 1
42 1 4 PRO HG3 1 73 GLN HE21 . . 5.110 3.889 2.002 5.155 0.045 13 0 "[ . 1 . 2]" 1
43 1 4 PRO HG3 1 73 GLN HE22 . . 4.550 3.886 2.540 4.855 0.305 14 0 "[ . 1 . 2]" 1
44 1 5 THR H 1 5 THR MG . . 3.820 2.930 2.600 3.086 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR H 1 6 GLU H . . 5.420 4.386 4.241 4.504 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR H 1 7 VAL H . . 5.500 3.995 3.594 4.319 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR H 1 69 VAL MG1 . . 4.420 3.411 3.087 3.746 . 0 0 "[ . 1 . 2]" 1
48 1 5 THR H 1 69 VAL MG2 . . 5.500 4.631 4.335 5.441 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR H 1 93 TYR HA . . 5.500 4.498 4.130 4.911 . 0 0 "[ . 1 . 2]" 1
50 1 5 THR H 1 93 TYR HB2 . . 5.120 4.728 3.932 5.198 0.078 6 0 "[ . 1 . 2]" 1
51 1 5 THR H 1 93 TYR HB3 . . 4.330 3.231 2.604 3.678 . 0 0 "[ . 1 . 2]" 1
52 1 5 THR H 1 93 TYR QD . . 3.530 2.780 2.062 3.469 . 0 0 "[ . 1 . 2]" 1
53 1 5 THR H 1 93 TYR QE . . 4.000 3.836 2.919 4.098 0.098 18 0 "[ . 1 . 2]" 1
54 1 5 THR H 1 94 CYS H . . 5.500 4.544 4.062 5.542 0.042 20 0 "[ . 1 . 2]" 1
55 1 5 THR HA 1 5 THR MG . . 3.560 2.438 2.342 2.621 . 0 0 "[ . 1 . 2]" 1
56 1 5 THR HA 1 6 GLU H . . 3.320 2.558 2.351 2.872 . 0 0 "[ . 1 . 2]" 1
57 1 5 THR HA 1 69 VAL MG1 . . 3.630 2.887 2.378 3.606 . 0 0 "[ . 1 . 2]" 1
58 1 5 THR HA 1 69 VAL MG2 . . 3.870 2.761 2.314 3.715 . 0 0 "[ . 1 . 2]" 1
59 1 5 THR HB 1 6 GLU H . . 2.960 2.391 2.183 2.728 . 0 0 "[ . 1 . 2]" 1
60 1 5 THR HB 1 6 GLU QG . . 5.210 4.043 3.295 5.311 0.101 20 0 "[ . 1 . 2]" 1
61 1 5 THR HB 1 7 VAL H . . 3.810 2.906 2.535 3.187 . 0 0 "[ . 1 . 2]" 1
62 1 5 THR HB 1 7 VAL QG . . 5.500 3.111 2.722 3.830 . 0 0 "[ . 1 . 2]" 1
63 1 5 THR HB 1 96 PRO HD2 . . 4.620 3.787 3.425 4.630 0.010 1 0 "[ . 1 . 2]" 1
64 1 5 THR HB 1 96 PRO HD3 . . 4.670 2.204 2.054 3.087 . 0 0 "[ . 1 . 2]" 1
65 1 5 THR HB 1 96 PRO HG2 . . 4.530 4.591 4.331 4.625 0.095 1 0 "[ . 1 . 2]" 1
66 1 5 THR HB 1 96 PRO HG3 . . 4.060 3.158 2.893 3.260 . 0 0 "[ . 1 . 2]" 1
67 1 5 THR MG 1 6 GLU H . . 3.970 3.784 3.585 4.064 0.094 6 0 "[ . 1 . 2]" 1
68 1 5 THR MG 1 7 VAL H . . 4.310 4.147 3.910 4.403 0.093 12 0 "[ . 1 . 2]" 1
69 1 5 THR MG 1 93 TYR HB3 . . 3.840 3.675 3.228 3.939 0.099 13 0 "[ . 1 . 2]" 1
70 1 5 THR MG 1 94 CYS H . . 4.720 4.315 3.945 4.729 0.009 8 0 "[ . 1 . 2]" 1
71 1 5 THR MG 1 94 CYS HB3 . . 5.260 5.325 5.168 5.503 0.243 10 0 "[ . 1 . 2]" 1
72 1 5 THR MG 1 95 ASP H . . 5.500 4.686 4.528 4.845 . 0 0 "[ . 1 . 2]" 1
73 1 5 THR MG 1 95 ASP HA . . 3.640 2.236 2.066 2.464 . 0 0 "[ . 1 . 2]" 1
74 1 5 THR MG 1 96 PRO HD2 . . 3.540 2.756 2.419 3.281 . 0 0 "[ . 1 . 2]" 1
75 1 5 THR MG 1 96 PRO HD3 . . 3.820 2.190 2.040 2.435 . 0 0 "[ . 1 . 2]" 1
76 1 5 THR MG 1 96 PRO HG2 . . 5.050 4.259 4.017 4.507 . 0 0 "[ . 1 . 2]" 1
77 1 5 THR MG 1 96 PRO HG3 . . 4.760 3.482 3.212 3.834 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLU H 1 6 GLU QG . . 3.900 2.245 1.702 3.863 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLU H 1 7 VAL H . . 3.740 2.777 2.542 2.951 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLU H 1 7 VAL QG . . 4.670 3.368 2.857 3.641 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLU H 1 69 VAL HA . . 5.210 4.138 3.576 4.640 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLU H 1 69 VAL MG1 . . 4.420 3.964 3.602 4.507 0.087 2 0 "[ . 1 . 2]" 1
83 1 6 GLU H 1 69 VAL MG2 . . 3.790 2.792 2.286 3.869 0.079 17 0 "[ . 1 . 2]" 1
84 1 6 GLU H 1 96 PRO HG3 . . 4.770 3.993 3.335 4.823 0.053 6 0 "[ . 1 . 2]" 1
85 1 6 GLU HA 1 7 VAL QG . . 5.220 4.276 3.876 4.521 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLU HA 1 66 PHE H . . 5.350 4.211 3.904 4.527 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLU HA 1 66 PHE HB2 . . 5.470 3.565 3.107 4.093 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU HA 1 69 VAL H . . 4.890 4.184 3.167 4.784 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLU HA 1 69 VAL HA . . 3.430 2.411 2.020 3.058 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLU HA 1 69 VAL MG1 . . 3.980 3.721 3.270 4.064 0.084 18 0 "[ . 1 . 2]" 1
91 1 6 GLU HA 1 69 VAL MG2 . . 4.660 3.287 2.947 3.748 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLU HA 1 72 CYS H . . 4.810 4.320 3.960 4.841 0.031 5 0 "[ . 1 . 2]" 1
93 1 6 GLU HA 1 72 CYS HB2 . . 4.080 3.287 2.329 4.159 0.079 18 0 "[ . 1 . 2]" 1
94 1 6 GLU HA 1 72 CYS HB3 . . 3.530 3.153 2.537 4.127 0.597 5 1 "[ + 1 . 2]" 1
95 1 6 GLU QB 1 66 PHE H . . 5.190 3.132 2.413 4.172 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLU QB 1 68 SER HA . . 4.610 3.435 2.436 4.499 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLU QB 1 69 VAL H . . 5.140 3.440 2.471 4.882 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLU QB 1 69 VAL HA . . 5.170 3.375 2.484 4.503 . 0 0 "[ . 1 . 2]" 1
99 1 6 GLU QB 1 69 VAL MG2 . . 5.500 2.930 2.145 3.898 . 0 0 "[ . 1 . 2]" 1
100 1 6 GLU QG 1 7 VAL QG . . 4.290 3.264 2.164 4.297 0.007 16 0 "[ . 1 . 2]" 1
101 1 6 GLU QG 1 68 SER HA . . 4.970 4.105 2.217 5.062 0.092 11 0 "[ . 1 . 2]" 1
102 1 6 GLU QG 1 69 VAL H . . 4.660 3.961 2.370 4.762 0.102 14 0 "[ . 1 . 2]" 1
103 1 6 GLU QG 1 69 VAL HA . . 5.000 3.949 2.402 4.923 . 0 0 "[ . 1 . 2]" 1
104 1 6 GLU QG 1 69 VAL MG2 . . 4.590 2.913 1.895 4.038 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL H 1 7 VAL HB . . 3.650 3.276 2.511 3.746 0.096 4 0 "[ . 1 . 2]" 1
106 1 7 VAL H 1 7 VAL QG . . 3.860 2.352 2.060 2.780 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL H 1 8 LEU H . . 4.980 4.343 3.943 4.567 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL H 1 66 PHE H . . 5.330 4.978 4.575 5.404 0.074 20 0 "[ . 1 . 2]" 1
109 1 7 VAL H 1 69 VAL HA . . 5.500 5.251 4.698 5.576 0.076 18 0 "[ . 1 . 2]" 1
110 1 7 VAL H 1 93 TYR QD . . 5.150 4.630 3.445 5.226 0.076 15 0 "[ . 1 . 2]" 1
111 1 7 VAL H 1 94 CYS H . . 4.560 4.360 3.839 4.624 0.064 9 0 "[ . 1 . 2]" 1
112 1 7 VAL HA 1 8 LEU H . . 3.060 2.303 2.132 2.715 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL HA 1 65 GLU HA . . 3.850 2.258 1.911 2.804 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL HB 1 94 CYS H . . 4.730 4.461 3.461 4.819 0.089 9 0 "[ . 1 . 2]" 1
115 1 7 VAL HB 1 94 CYS HB2 . . 4.230 3.950 2.778 4.299 0.069 17 0 "[ . 1 . 2]" 1
116 1 7 VAL HB 1 94 CYS HB3 . . 3.840 3.678 2.594 4.026 0.186 10 0 "[ . 1 . 2]" 1
117 1 7 VAL QG 1 8 LEU H . . 3.600 2.933 2.362 3.356 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL QG 1 9 CYS QB . . 5.500 4.174 3.651 5.086 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL QG 1 63 PHE HA . . 4.960 4.489 3.456 4.908 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL QG 1 63 PHE HB2 . . 5.390 4.491 3.423 5.164 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL QG 1 63 PHE HB3 . . 4.750 3.374 2.334 3.946 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL QG 1 63 PHE QD . . 4.380 3.741 2.719 4.243 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL QG 1 64 VAL H . . 4.240 3.928 3.291 4.222 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL QG 1 65 GLU HA . . 3.600 2.697 2.204 2.969 . 0 0 "[ . 1 . 2]" 1
125 1 7 VAL QG 1 65 GLU HB2 . . 4.430 2.881 2.318 3.589 . 0 0 "[ . 1 . 2]" 1
126 1 7 VAL QG 1 65 GLU HB3 . . 5.430 4.095 3.657 4.559 . 0 0 "[ . 1 . 2]" 1
127 1 7 VAL QG 1 65 GLU HG2 . . 4.770 3.649 2.757 4.238 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL QG 1 65 GLU HG3 . . 3.380 2.544 2.020 4.196 0.816 3 1 "[ + . 1 . 2]" 1
129 1 7 VAL QG 1 66 PHE H . . 3.940 3.622 3.059 3.940 . 0 0 "[ . 1 . 2]" 1
130 1 7 VAL QG 1 94 CYS H . . 4.550 3.066 2.185 4.351 . 0 0 "[ . 1 . 2]" 1
131 1 7 VAL QG 1 94 CYS HB2 . . 3.780 2.452 2.115 3.188 . 0 0 "[ . 1 . 2]" 1
132 1 7 VAL QG 1 94 CYS HB3 . . 3.640 2.240 1.869 3.227 . 0 0 "[ . 1 . 2]" 1
133 1 7 VAL QG 1 96 PRO HB3 . . 3.100 2.094 1.997 2.379 . 0 0 "[ . 1 . 2]" 1
134 1 7 VAL QG 1 96 PRO HD2 . . 5.500 4.221 3.936 4.673 . 0 0 "[ . 1 . 2]" 1
135 1 7 VAL QG 1 96 PRO HD3 . . 3.490 3.098 2.716 3.527 0.037 3 0 "[ . 1 . 2]" 1
136 1 7 VAL QG 1 96 PRO HG2 . . 4.460 4.330 4.181 4.483 0.023 6 0 "[ . 1 . 2]" 1
137 1 7 VAL QG 1 96 PRO HG3 . . 4.940 3.714 3.410 3.984 . 0 0 "[ . 1 . 2]" 1
138 1 7 VAL QG 1 97 ASP H . . 5.500 4.632 4.492 4.866 . 0 0 "[ . 1 . 2]" 1
139 1 7 VAL QG 1 99 TYR H . . 5.270 3.992 3.514 4.467 . 0 0 "[ . 1 . 2]" 1
140 1 7 VAL QG 1 99 TYR HA . . 5.360 4.231 3.795 5.020 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL QG 1 99 TYR HB2 . . 4.600 2.366 1.995 3.218 . 0 0 "[ . 1 . 2]" 1
142 1 7 VAL QG 1 99 TYR HB3 . . 3.830 2.709 2.330 3.087 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL QG 1 99 TYR QD . . 3.470 2.503 2.085 2.869 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL QG 1 99 TYR QE . . 4.020 3.454 2.729 3.779 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL QG 1 100 HIS H . . 5.500 4.642 4.275 4.998 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU H 1 8 LEU HB2 . . 3.840 2.742 2.146 3.167 . 0 0 "[ . 1 . 2]" 1
147 1 8 LEU H 1 8 LEU HB3 . . 3.590 2.956 2.295 3.578 . 0 0 "[ . 1 . 2]" 1
148 1 8 LEU H 1 8 LEU QD . . 4.970 3.820 3.329 4.023 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU H 1 8 LEU HG . . 5.250 4.445 3.581 4.991 . 0 0 "[ . 1 . 2]" 1
150 1 8 LEU H 1 9 CYS H . . 5.500 4.368 4.224 4.579 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU H 1 63 PHE HA . . 5.220 4.610 4.001 5.109 . 0 0 "[ . 1 . 2]" 1
152 1 8 LEU H 1 64 VAL H . . 3.870 2.887 2.415 3.569 . 0 0 "[ . 1 . 2]" 1
153 1 8 LEU H 1 64 VAL QG . . 5.020 3.242 2.412 4.370 . 0 0 "[ . 1 . 2]" 1
154 1 8 LEU H 1 66 PHE QD . . 5.120 4.218 2.977 5.202 0.082 5 0 "[ . 1 . 2]" 1
155 1 8 LEU H 1 94 CYS H . . 5.500 4.897 4.345 5.574 0.074 15 0 "[ . 1 . 2]" 1
156 1 8 LEU HA 1 8 LEU QD . . 3.380 2.272 2.034 2.844 . 0 0 "[ . 1 . 2]" 1
157 1 8 LEU HA 1 9 CYS H . . 3.220 2.272 2.109 2.505 . 0 0 "[ . 1 . 2]" 1
158 1 8 LEU HA 1 93 TYR HA . . 3.660 2.794 2.313 3.486 . 0 0 "[ . 1 . 2]" 1
159 1 8 LEU HA 1 93 TYR QD . . 4.180 3.867 3.476 4.265 0.085 13 0 "[ . 1 . 2]" 1
160 1 8 LEU HA 1 94 CYS H . . 4.620 3.364 2.648 4.153 . 0 0 "[ . 1 . 2]" 1
161 1 8 LEU HB2 1 9 CYS H . . 4.740 4.305 3.844 4.597 . 0 0 "[ . 1 . 2]" 1
162 1 8 LEU HB2 1 66 PHE QD . . 4.620 3.794 2.700 4.736 0.116 8 0 "[ . 1 . 2]" 1
163 1 8 LEU HB3 1 9 CYS H . . 4.670 3.670 2.618 4.427 . 0 0 "[ . 1 . 2]" 1
164 1 8 LEU QD 1 9 CYS H . . 3.710 2.817 2.000 3.635 . 0 0 "[ . 1 . 2]" 1
165 1 8 LEU QD 1 75 ALA MB . . 3.430 2.731 2.087 3.270 . 0 0 "[ . 1 . 2]" 1
166 1 8 LEU QD 1 76 MET H . . 4.510 2.988 2.614 3.540 . 0 0 "[ . 1 . 2]" 1
167 1 8 LEU QD 1 76 MET HA . . 3.790 2.232 1.933 2.571 . 0 0 "[ . 1 . 2]" 1
168 1 8 LEU QD 1 76 MET QB . . 3.580 2.261 1.750 3.404 . 0 0 "[ . 1 . 2]" 1
169 1 8 LEU QD 1 76 MET ME . . 3.220 2.471 1.835 3.279 0.059 16 0 "[ . 1 . 2]" 1
170 1 8 LEU QD 1 77 GLN H . . 5.500 4.625 4.359 4.999 . 0 0 "[ . 1 . 2]" 1
171 1 8 LEU QD 1 91 THR HA . . 4.630 3.416 2.750 4.154 . 0 0 "[ . 1 . 2]" 1
172 1 8 LEU QD 1 91 THR HB . . 3.480 2.358 2.003 3.052 . 0 0 "[ . 1 . 2]" 1
173 1 8 LEU QD 1 92 LYS H . . 4.170 2.883 2.086 3.665 . 0 0 "[ . 1 . 2]" 1
174 1 8 LEU QD 1 93 TYR H . . 5.500 4.198 3.262 4.900 . 0 0 "[ . 1 . 2]" 1
175 1 8 LEU QD 1 93 TYR HA . . 4.850 2.944 2.071 3.787 . 0 0 "[ . 1 . 2]" 1
176 1 8 LEU QD 1 93 TYR QD . . 4.230 3.216 2.278 4.251 0.021 1 0 "[ . 1 . 2]" 1
177 1 8 LEU QD 1 93 TYR QE . . 4.450 3.454 2.267 4.457 0.007 1 0 "[ . 1 . 2]" 1
178 1 8 LEU QD 1 94 CYS H . . 5.500 4.386 3.508 5.329 . 0 0 "[ . 1 . 2]" 1
179 1 8 LEU HG 1 9 CYS H . . 4.280 3.303 1.929 4.364 0.084 10 0 "[ . 1 . 2]" 1
180 1 8 LEU HG 1 91 THR HB . . 5.060 4.055 2.838 5.151 0.091 10 0 "[ . 1 . 2]" 1
181 1 9 CYS H 1 9 CYS QB . . 3.420 2.488 2.320 3.058 . 0 0 "[ . 1 . 2]" 1
182 1 9 CYS H 1 10 LEU H . . 4.950 4.374 4.038 4.531 . 0 0 "[ . 1 . 2]" 1
183 1 9 CYS H 1 76 MET ME . . 5.230 4.909 4.230 5.336 0.106 16 0 "[ . 1 . 2]" 1
184 1 9 CYS H 1 91 THR HA . . 5.240 4.555 4.114 5.083 . 0 0 "[ . 1 . 2]" 1
185 1 9 CYS H 1 91 THR HB . . 5.290 5.053 4.647 5.360 0.070 11 0 "[ . 1 . 2]" 1
186 1 9 CYS H 1 92 LYS H . . 3.780 2.840 2.561 3.222 . 0 0 "[ . 1 . 2]" 1
187 1 9 CYS H 1 93 TYR QD . . 5.500 5.314 4.816 5.595 0.095 10 0 "[ . 1 . 2]" 1
188 1 9 CYS HA 1 10 LEU H . . 3.080 2.165 2.047 2.256 . 0 0 "[ . 1 . 2]" 1
189 1 9 CYS HA 1 10 LEU QD . . 4.770 3.478 2.205 4.529 . 0 0 "[ . 1 . 2]" 1
190 1 9 CYS HA 1 10 LEU HG . . 4.890 4.052 3.028 4.976 0.086 4 0 "[ . 1 . 2]" 1
191 1 9 CYS HA 1 62 ILE H . . 5.190 4.644 4.264 5.246 0.056 8 0 "[ . 1 . 2]" 1
192 1 9 CYS HA 1 63 PHE HA . . 3.710 2.406 2.133 2.743 . 0 0 "[ . 1 . 2]" 1
193 1 9 CYS HA 1 64 VAL H . . 4.060 3.727 3.219 4.123 0.063 12 0 "[ . 1 . 2]" 1
194 1 9 CYS QB 1 10 LEU H . . 4.430 3.645 2.788 4.041 . 0 0 "[ . 1 . 2]" 1
195 1 9 CYS QB 1 11 MET ME . . 4.580 3.699 2.447 4.523 . 0 0 "[ . 1 . 2]" 1
196 1 9 CYS QB 1 92 LYS H . . 3.990 3.453 2.976 3.942 . 0 0 "[ . 1 . 2]" 1
197 1 9 CYS QB 1 92 LYS QB . . 4.480 2.493 1.949 4.410 . 0 0 "[ . 1 . 2]" 1
198 1 10 LEU H 1 10 LEU HB2 . . 3.650 2.606 2.399 3.273 . 0 0 "[ . 1 . 2]" 1
199 1 10 LEU H 1 10 LEU HB3 . . 3.940 3.670 3.570 3.811 . 0 0 "[ . 1 . 2]" 1
200 1 10 LEU H 1 10 LEU QD . . 3.830 2.874 2.062 3.559 . 0 0 "[ . 1 . 2]" 1
201 1 10 LEU H 1 10 LEU HG . . 3.840 3.203 2.726 3.931 0.091 5 0 "[ . 1 . 2]" 1
202 1 10 LEU H 1 62 ILE H . . 3.880 3.045 2.752 3.403 . 0 0 "[ . 1 . 2]" 1
203 1 10 LEU H 1 62 ILE HA . . 5.120 4.906 4.762 4.993 . 0 0 "[ . 1 . 2]" 1
204 1 10 LEU H 1 62 ILE HB . . 4.340 3.887 3.517 4.280 . 0 0 "[ . 1 . 2]" 1
205 1 10 LEU H 1 62 ILE MG . . 4.690 4.096 3.830 4.609 . 0 0 "[ . 1 . 2]" 1
206 1 10 LEU H 1 63 PHE HA . . 4.590 3.286 2.710 3.723 . 0 0 "[ . 1 . 2]" 1
207 1 10 LEU H 1 92 LYS H . . 5.210 5.186 4.996 5.293 0.083 17 0 "[ . 1 . 2]" 1
208 1 10 LEU HA 1 10 LEU QD . . 3.500 2.429 2.047 3.279 . 0 0 "[ . 1 . 2]" 1
209 1 10 LEU HA 1 10 LEU HG . . 3.910 3.251 2.604 3.828 . 0 0 "[ . 1 . 2]" 1
210 1 10 LEU HA 1 11 MET H . . 3.110 2.213 2.083 2.387 . 0 0 "[ . 1 . 2]" 1
211 1 10 LEU HA 1 89 VAL QG . . 4.960 3.294 2.872 3.674 . 0 0 "[ . 1 . 2]" 1
212 1 10 LEU HA 1 91 THR HA . . 3.920 2.867 2.471 3.411 . 0 0 "[ . 1 . 2]" 1
213 1 10 LEU HA 1 91 THR MG . . 3.830 3.772 3.447 3.936 0.106 2 0 "[ . 1 . 2]" 1
214 1 10 LEU HA 1 92 LYS H . . 4.830 4.085 3.804 4.648 . 0 0 "[ . 1 . 2]" 1
215 1 10 LEU HB2 1 11 MET H . . 5.070 4.073 3.595 4.477 . 0 0 "[ . 1 . 2]" 1
216 1 10 LEU HB2 1 62 ILE H . . 4.760 3.395 2.835 4.154 . 0 0 "[ . 1 . 2]" 1
217 1 10 LEU HB3 1 11 MET H . . 4.750 3.316 2.575 3.929 . 0 0 "[ . 1 . 2]" 1
218 1 10 LEU HB3 1 89 VAL QG . . 3.490 2.620 2.123 3.448 . 0 0 "[ . 1 . 2]" 1
219 1 10 LEU QD 1 11 MET H . . 5.070 3.870 3.387 4.468 . 0 0 "[ . 1 . 2]" 1
220 1 10 LEU QD 1 11 MET ME . . 5.330 4.478 3.835 5.136 . 0 0 "[ . 1 . 2]" 1
221 1 10 LEU QD 1 62 ILE H . . 4.950 4.222 3.569 4.727 . 0 0 "[ . 1 . 2]" 1
222 1 10 LEU QD 1 62 ILE HB . . 3.320 3.050 2.338 3.370 0.050 14 0 "[ . 1 . 2]" 1
223 1 10 LEU QD 1 84 PHE QE . . 5.120 2.704 2.017 4.003 . 0 0 "[ . 1 . 2]" 1
224 1 10 LEU QD 1 89 VAL HB . . 4.990 4.602 4.153 4.943 . 0 0 "[ . 1 . 2]" 1
225 1 10 LEU QD 1 89 VAL QG . . 3.530 2.322 1.982 2.688 . 0 0 "[ . 1 . 2]" 1
226 1 10 LEU QD 1 91 THR HA . . 4.450 2.797 2.145 3.942 . 0 0 "[ . 1 . 2]" 1
227 1 10 LEU QD 1 91 THR HB . . 4.410 3.861 3.400 4.411 0.001 11 0 "[ . 1 . 2]" 1
228 1 10 LEU QD 1 91 THR MG . . 3.230 2.127 1.925 2.789 . 0 0 "[ . 1 . 2]" 1
229 1 10 LEU QD 1 92 LYS H . . 5.140 3.838 3.096 4.809 . 0 0 "[ . 1 . 2]" 1
230 1 10 LEU HG 1 91 THR HA . . 5.110 4.591 2.982 5.191 0.081 7 0 "[ . 1 . 2]" 1
231 1 11 MET H 1 11 MET HB2 . . 4.160 2.521 2.209 2.741 . 0 0 "[ . 1 . 2]" 1
232 1 11 MET H 1 11 MET ME . . 3.860 2.689 1.878 3.603 . 0 0 "[ . 1 . 2]" 1
233 1 11 MET H 1 11 MET QG . . 4.280 3.130 2.514 3.744 . 0 0 "[ . 1 . 2]" 1
234 1 11 MET H 1 12 ASN H . . 5.500 4.458 3.640 4.604 . 0 0 "[ . 1 . 2]" 1
235 1 11 MET H 1 89 VAL QG . . 4.240 3.231 2.697 3.767 . 0 0 "[ . 1 . 2]" 1
236 1 11 MET H 1 90 VAL H . . 4.260 3.008 2.520 3.854 . 0 0 "[ . 1 . 2]" 1
237 1 11 MET H 1 90 VAL QG . . 4.500 3.612 2.497 4.398 . 0 0 "[ . 1 . 2]" 1
238 1 11 MET H 1 91 THR HA . . 4.340 4.118 3.715 4.406 0.066 2 0 "[ . 1 . 2]" 1
239 1 11 MET HA 1 11 MET QG . . 3.940 2.433 2.320 2.546 . 0 0 "[ . 1 . 2]" 1
240 1 11 MET HA 1 12 ASN H . . 3.350 2.344 2.244 2.516 . 0 0 "[ . 1 . 2]" 1
241 1 11 MET HA 1 13 MET H . . 4.370 3.554 3.175 4.201 . 0 0 "[ . 1 . 2]" 1
242 1 11 MET HA 1 90 VAL QG . . 5.500 4.974 4.161 5.591 0.091 15 0 "[ . 1 . 2]" 1
243 1 11 MET HB2 1 11 MET ME . . 2.930 2.277 1.989 2.865 . 0 0 "[ . 1 . 2]" 1
244 1 11 MET HB2 1 12 ASN H . . 4.080 3.751 3.469 4.392 0.312 18 0 "[ . 1 . 2]" 1
245 1 11 MET HB2 1 90 VAL QG . . 4.530 2.760 1.986 3.465 . 0 0 "[ . 1 . 2]" 1
246 1 11 MET HB3 1 12 ASN H . . 4.380 2.623 2.238 4.159 . 0 0 "[ . 1 . 2]" 1
247 1 11 MET HB3 1 12 ASN QB . . 5.230 4.420 4.086 5.067 . 0 0 "[ . 1 . 2]" 1
248 1 11 MET HB3 1 12 ASN QD . . 4.750 4.211 3.700 5.086 0.336 18 0 "[ . 1 . 2]" 1
249 1 11 MET ME 1 12 ASN QD . . 5.480 4.905 4.398 5.217 . 0 0 "[ . 1 . 2]" 1
250 1 11 MET ME 1 90 VAL H . . 5.500 3.792 3.480 4.422 . 0 0 "[ . 1 . 2]" 1
251 1 11 MET ME 1 90 VAL HA . . 4.310 4.275 4.081 4.419 0.109 18 0 "[ . 1 . 2]" 1
252 1 11 MET ME 1 90 VAL QG . . 3.050 2.164 1.940 2.545 . 0 0 "[ . 1 . 2]" 1
253 1 11 MET ME 1 91 THR HA . . 4.410 3.534 2.759 4.184 . 0 0 "[ . 1 . 2]" 1
254 1 11 MET ME 1 92 LYS H . . 4.350 3.662 3.139 4.292 . 0 0 "[ . 1 . 2]" 1
255 1 11 MET ME 1 92 LYS HG3 . . 3.360 2.620 2.099 3.628 0.268 16 0 "[ . 1 . 2]" 1
256 1 11 MET QG 1 12 ASN H . . 4.830 3.843 3.601 4.393 . 0 0 "[ . 1 . 2]" 1
257 1 11 MET QG 1 61 LYS HA . . 5.500 3.482 2.296 4.613 . 0 0 "[ . 1 . 2]" 1
258 1 11 MET QG 1 61 LYS HB3 . . 5.490 3.332 2.001 4.381 . 0 0 "[ . 1 . 2]" 1
259 1 11 MET QG 1 61 LYS QD . . 5.040 4.351 3.176 4.733 . 0 0 "[ . 1 . 2]" 1
260 1 11 MET QG 1 61 LYS QE . . 4.500 3.829 2.859 4.345 . 0 0 "[ . 1 . 2]" 1
261 1 11 MET QG 1 61 LYS HG2 . . 4.990 3.366 2.644 4.895 . 0 0 "[ . 1 . 2]" 1
262 1 11 MET QG 1 61 LYS HG3 . . 4.100 2.827 2.352 3.634 . 0 0 "[ . 1 . 2]" 1
263 1 12 ASN H 1 13 MET H . . 3.830 2.675 2.087 2.975 . 0 0 "[ . 1 . 2]" 1
264 1 12 ASN H 1 14 VAL H . . 4.990 4.618 3.527 5.062 0.072 20 0 "[ . 1 . 2]" 1
265 1 12 ASN HA 1 14 VAL H . . 4.910 4.596 4.103 4.977 0.067 12 0 "[ . 1 . 2]" 1
266 1 12 ASN QB 1 13 MET H . . 4.850 3.712 3.131 3.883 . 0 0 "[ . 1 . 2]" 1
267 1 12 ASN QB 1 87 ARG HB2 . . 4.620 3.071 2.380 4.061 . 0 0 "[ . 1 . 2]" 1
268 1 12 ASN QB 1 88 VAL H . . 4.650 3.860 3.304 4.584 . 0 0 "[ . 1 . 2]" 1
269 1 12 ASN QB 1 89 VAL HA . . 3.390 2.771 2.086 3.263 . 0 0 "[ . 1 . 2]" 1
270 1 12 ASN QB 1 89 VAL QG . . 4.290 3.421 2.503 3.876 . 0 0 "[ . 1 . 2]" 1
271 1 12 ASN QB 1 90 VAL H . . 3.870 3.705 2.767 3.948 0.078 10 0 "[ . 1 . 2]" 1
272 1 12 ASN QB 1 90 VAL QG . . 3.790 3.725 3.234 3.885 0.095 8 0 "[ . 1 . 2]" 1
273 1 12 ASN QD 1 88 VAL H . . 5.130 4.163 3.456 4.956 . 0 0 "[ . 1 . 2]" 1
274 1 12 ASN QD 1 88 VAL HB . . 4.680 3.986 3.134 4.603 . 0 0 "[ . 1 . 2]" 1
275 1 12 ASN QD 1 89 VAL HA . . 4.760 3.308 2.323 4.096 . 0 0 "[ . 1 . 2]" 1
276 1 12 ASN QD 1 90 VAL H . . 4.840 3.416 2.393 4.276 . 0 0 "[ . 1 . 2]" 1
277 1 12 ASN QD 1 90 VAL QG . . 3.730 2.194 1.928 2.642 . 0 0 "[ . 1 . 2]" 1
278 1 13 MET H 1 13 MET QB . . 3.840 2.227 2.040 2.832 . 0 0 "[ . 1 . 2]" 1
279 1 13 MET H 1 14 VAL H . . 3.210 2.689 2.437 2.834 . 0 0 "[ . 1 . 2]" 1
280 1 13 MET H 1 14 VAL MG2 . . 4.760 3.813 3.474 4.106 . 0 0 "[ . 1 . 2]" 1
281 1 13 MET H 1 89 VAL QG . . 5.500 4.238 3.531 5.197 . 0 0 "[ . 1 . 2]" 1
282 1 13 MET HA 1 13 MET ME . . 4.560 2.815 2.111 3.836 . 0 0 "[ . 1 . 2]" 1
283 1 13 MET HA 1 13 MET QG . . 3.530 2.237 2.042 3.033 . 0 0 "[ . 1 . 2]" 1
284 1 13 MET HA 1 14 VAL MG2 . . 4.890 4.731 4.356 4.987 0.097 9 0 "[ . 1 . 2]" 1
285 1 13 MET HA 1 62 ILE MD . . 5.050 4.575 4.244 4.973 . 0 0 "[ . 1 . 2]" 1
286 1 13 MET HA 1 84 PHE HB2 . . 4.970 3.725 3.132 4.954 . 0 0 "[ . 1 . 2]" 1
287 1 13 MET HA 1 84 PHE HB3 . . 5.300 4.512 3.805 5.385 0.085 5 0 "[ . 1 . 2]" 1
288 1 13 MET HA 1 89 VAL QG . . 3.910 3.471 2.822 3.931 0.021 6 0 "[ . 1 . 2]" 1
289 1 13 MET QB 1 14 VAL H . . 3.970 2.208 1.782 2.851 . 0 0 "[ . 1 . 2]" 1
290 1 13 MET QB 1 62 ILE MD . . 3.660 2.225 1.879 3.311 . 0 0 "[ . 1 . 2]" 1
291 1 13 MET QB 1 62 ILE HG13 . . 4.470 3.151 2.187 4.400 . 0 0 "[ . 1 . 2]" 1
292 1 13 MET QB 1 84 PHE HB3 . . 4.960 4.332 3.388 4.701 . 0 0 "[ . 1 . 2]" 1
293 1 13 MET QB 1 89 VAL QG . . 4.560 3.826 2.823 4.216 . 0 0 "[ . 1 . 2]" 1
294 1 13 MET ME 1 13 MET QG . . 3.250 2.338 2.049 2.527 . 0 0 "[ . 1 . 2]" 1
295 1 13 MET ME 1 84 PHE H . . 5.000 3.548 1.797 4.060 . 0 0 "[ . 1 . 2]" 1
296 1 13 MET ME 1 84 PHE HA . . 5.500 4.868 4.031 5.479 . 0 0 "[ . 1 . 2]" 1
297 1 13 MET ME 1 84 PHE HB2 . . 4.250 2.359 1.942 2.943 . 0 0 "[ . 1 . 2]" 1
298 1 13 MET ME 1 84 PHE HB3 . . 4.030 3.420 2.836 4.009 . 0 0 "[ . 1 . 2]" 1
299 1 13 MET ME 1 84 PHE QD . . 3.650 3.194 2.460 3.775 0.125 5 0 "[ . 1 . 2]" 1
300 1 13 MET ME 1 89 VAL HA . . 5.460 3.339 2.632 4.048 . 0 0 "[ . 1 . 2]" 1
301 1 13 MET ME 1 89 VAL HB . . 3.960 3.956 3.694 4.057 0.097 7 0 "[ . 1 . 2]" 1
302 1 13 MET ME 1 89 VAL QG . . 3.330 1.763 1.660 1.909 . 0 0 "[ . 1 . 2]" 1
303 1 13 MET QG 1 14 VAL H . . 4.710 3.878 3.107 4.297 . 0 0 "[ . 1 . 2]" 1
304 1 13 MET QG 1 62 ILE MD . . 3.790 2.616 2.020 3.643 . 0 0 "[ . 1 . 2]" 1
305 1 13 MET QG 1 84 PHE HB3 . . 4.800 2.517 2.115 4.867 0.067 2 0 "[ . 1 . 2]" 1
306 1 13 MET QG 1 89 VAL QG . . 3.540 3.223 2.658 3.552 0.012 5 0 "[ . 1 . 2]" 1
307 1 14 VAL H 1 14 VAL HB . . 4.080 3.594 3.451 3.801 . 0 0 "[ . 1 . 2]" 1
308 1 14 VAL H 1 14 VAL MG1 . . 4.000 2.787 2.230 3.310 . 0 0 "[ . 1 . 2]" 1
309 1 14 VAL H 1 14 VAL MG2 . . 3.430 1.926 1.717 2.251 . 0 0 "[ . 1 . 2]" 1
310 1 14 VAL H 1 15 LEU H . . 5.210 4.495 4.374 4.591 . 0 0 "[ . 1 . 2]" 1
311 1 14 VAL H 1 15 LEU QD . . 5.500 4.676 3.973 5.387 . 0 0 "[ . 1 . 2]" 1
312 1 14 VAL H 1 62 ILE MD . . 4.700 3.396 2.080 4.776 0.076 8 0 "[ . 1 . 2]" 1
313 1 14 VAL HA 1 14 VAL MG1 . . 3.150 2.314 2.174 2.476 . 0 0 "[ . 1 . 2]" 1
314 1 14 VAL HA 1 14 VAL MG2 . . 3.670 3.267 3.247 3.289 . 0 0 "[ . 1 . 2]" 1
315 1 14 VAL HA 1 15 LEU H . . 3.040 2.399 2.166 2.827 . 0 0 "[ . 1 . 2]" 1
316 1 14 VAL HA 1 15 LEU QD . . 5.300 3.700 2.680 4.498 . 0 0 "[ . 1 . 2]" 1
317 1 14 VAL HA 1 62 ILE MD . . 5.460 4.811 4.312 5.367 . 0 0 "[ . 1 . 2]" 1
318 1 14 VAL HB 1 15 LEU H . . 3.440 2.609 2.286 3.049 . 0 0 "[ . 1 . 2]" 1
319 1 14 VAL HB 1 47 ILE MG . . 4.110 4.155 3.772 4.223 0.113 10 0 "[ . 1 . 2]" 1
320 1 14 VAL MG1 1 15 LEU H . . 4.500 3.631 3.333 3.955 . 0 0 "[ . 1 . 2]" 1
321 1 14 VAL MG1 1 19 LEU QD . . 3.260 2.267 1.883 2.985 . 0 0 "[ . 1 . 2]" 1
322 1 14 VAL MG2 1 15 LEU H . . 4.010 3.711 3.330 4.097 0.087 4 0 "[ . 1 . 2]" 1
323 1 14 VAL MG2 1 19 LEU QD . . 3.970 2.023 1.868 2.340 . 0 0 "[ . 1 . 2]" 1
324 1 14 VAL MG2 1 19 LEU HG . . 4.950 3.628 3.239 4.678 . 0 0 "[ . 1 . 2]" 1
325 1 14 VAL MG2 1 47 ILE MG . . 3.400 2.527 2.100 2.992 . 0 0 "[ . 1 . 2]" 1
326 1 14 VAL MG2 1 60 GLY H . . 4.980 3.609 2.791 4.378 . 0 0 "[ . 1 . 2]" 1
327 1 14 VAL MG2 1 60 GLY HA2 . . 4.110 2.731 2.052 3.424 . 0 0 "[ . 1 . 2]" 1
328 1 14 VAL MG2 1 60 GLY HA3 . . 4.790 4.158 3.493 4.876 0.086 6 0 "[ . 1 . 2]" 1
329 1 15 LEU H 1 15 LEU HB3 . . 3.800 3.672 3.408 3.873 0.073 20 0 "[ . 1 . 2]" 1
330 1 15 LEU H 1 15 LEU QD . . 4.200 3.064 2.305 3.734 . 0 0 "[ . 1 . 2]" 1
331 1 15 LEU H 1 15 LEU HG . . 4.090 3.360 2.475 4.175 0.085 11 0 "[ . 1 . 2]" 1
332 1 15 LEU H 1 16 PRO HD2 . . 5.120 4.871 4.736 4.985 . 0 0 "[ . 1 . 2]" 1
333 1 15 LEU H 1 17 GLU H . . 4.950 4.286 3.973 4.696 . 0 0 "[ . 1 . 2]" 1
334 1 15 LEU H 1 18 GLU QG . . 5.250 3.083 1.825 4.386 . 0 0 "[ . 1 . 2]" 1
335 1 15 LEU HA 1 15 LEU QD . . 3.010 2.153 2.033 2.414 . 0 0 "[ . 1 . 2]" 1
336 1 15 LEU HA 1 16 PRO HB3 . . 5.500 4.890 4.763 4.998 . 0 0 "[ . 1 . 2]" 1
337 1 15 LEU HA 1 16 PRO HD2 . . 3.110 2.469 2.335 2.632 . 0 0 "[ . 1 . 2]" 1
338 1 15 LEU HA 1 16 PRO HG2 . . 4.620 4.627 4.541 4.688 0.068 1 0 "[ . 1 . 2]" 1
339 1 15 LEU HA 1 16 PRO HG3 . . 4.680 4.674 4.547 4.741 0.061 9 0 "[ . 1 . 2]" 1
340 1 15 LEU HA 1 18 GLU H . . 5.350 5.077 4.759 5.410 0.060 10 0 "[ . 1 . 2]" 1
341 1 15 LEU HA 1 18 GLU QG . . 5.500 4.629 4.137 5.368 . 0 0 "[ . 1 . 2]" 1
342 1 15 LEU HB2 1 15 LEU QD . . 3.220 2.291 2.160 2.346 . 0 0 "[ . 1 . 2]" 1
343 1 15 LEU HB2 1 16 PRO HD2 . . 3.950 3.677 3.460 3.844 . 0 0 "[ . 1 . 2]" 1
344 1 15 LEU HB2 1 17 GLU H . . 4.710 2.854 2.276 3.401 . 0 0 "[ . 1 . 2]" 1
345 1 15 LEU HB2 1 17 GLU HG2 . . 5.420 3.222 2.538 4.898 . 0 0 "[ . 1 . 2]" 1
346 1 15 LEU HB2 1 17 GLU HG3 . . 4.820 3.485 2.716 4.160 . 0 0 "[ . 1 . 2]" 1
347 1 15 LEU HB2 1 18 GLU H . . 4.000 3.341 2.832 3.741 . 0 0 "[ . 1 . 2]" 1
348 1 15 LEU HB2 1 18 GLU QG . . 3.870 2.307 1.987 2.838 . 0 0 "[ . 1 . 2]" 1
349 1 15 LEU HB3 1 16 PRO HD2 . . 4.320 2.157 2.084 2.320 . 0 0 "[ . 1 . 2]" 1
350 1 15 LEU HB3 1 17 GLU H . . 4.520 2.687 2.266 3.546 . 0 0 "[ . 1 . 2]" 1
351 1 15 LEU HB3 1 17 GLU HG2 . . 4.410 2.441 2.053 4.098 . 0 0 "[ . 1 . 2]" 1
352 1 15 LEU HB3 1 17 GLU HG3 . . 4.030 3.388 2.512 3.838 . 0 0 "[ . 1 . 2]" 1
353 1 15 LEU HB3 1 18 GLU H . . 5.210 4.177 3.709 4.599 . 0 0 "[ . 1 . 2]" 1
354 1 15 LEU HB3 1 18 GLU QG . . 3.980 3.548 3.088 4.061 0.081 9 0 "[ . 1 . 2]" 1
355 1 15 LEU QD 1 16 PRO HD2 . . 3.540 2.804 2.356 3.360 . 0 0 "[ . 1 . 2]" 1
356 1 15 LEU QD 1 17 GLU H . . 5.240 3.975 3.681 4.605 . 0 0 "[ . 1 . 2]" 1
357 1 15 LEU QD 1 17 GLU HG2 . . 4.700 3.406 2.672 4.689 . 0 0 "[ . 1 . 2]" 1
358 1 15 LEU QD 1 18 GLU QG . . 3.860 2.814 2.044 3.811 . 0 0 "[ . 1 . 2]" 1
359 1 15 LEU QD 1 87 ARG HD2 . . 4.110 3.271 2.092 3.996 . 0 0 "[ . 1 . 2]" 1
360 1 15 LEU QD 1 87 ARG HD3 . . 4.510 3.545 2.566 4.153 . 0 0 "[ . 1 . 2]" 1
361 1 15 LEU HG 1 16 PRO HD2 . . 5.030 4.390 2.403 4.964 . 0 0 "[ . 1 . 2]" 1
362 1 16 PRO HA 1 19 LEU QB . . 5.220 4.104 3.159 5.021 . 0 0 "[ . 1 . 2]" 1
363 1 16 PRO HA 1 19 LEU QD . . 3.560 2.920 2.072 3.595 0.035 3 0 "[ . 1 . 2]" 1
364 1 16 PRO HA 1 19 LEU HG . . 4.310 4.238 3.485 4.394 0.084 3 0 "[ . 1 . 2]" 1
365 1 16 PRO HB3 1 59 CYS HB3 . . 4.510 3.904 2.445 4.579 0.069 4 0 "[ . 1 . 2]" 1
366 1 17 GLU H 1 17 GLU QB . . 3.910 2.993 2.709 3.292 . 0 0 "[ . 1 . 2]" 1
367 1 17 GLU H 1 17 GLU HG2 . . 3.570 2.207 1.900 2.907 . 0 0 "[ . 1 . 2]" 1
368 1 17 GLU H 1 17 GLU HG3 . . 3.660 3.076 2.506 3.581 . 0 0 "[ . 1 . 2]" 1
369 1 17 GLU H 1 18 GLU H . . 3.780 2.202 1.771 2.355 . 0 0 "[ . 1 . 2]" 1
370 1 17 GLU H 1 18 GLU HA . . 4.750 4.749 4.557 4.836 0.086 9 0 "[ . 1 . 2]" 1
371 1 17 GLU H 1 18 GLU QG . . 3.780 3.326 2.853 3.693 . 0 0 "[ . 1 . 2]" 1
372 1 17 GLU H 1 19 LEU H . . 4.520 4.013 3.279 4.463 . 0 0 "[ . 1 . 2]" 1
373 1 17 GLU H 1 19 LEU HG . . 5.000 4.992 4.717 5.094 0.094 11 0 "[ . 1 . 2]" 1
374 1 17 GLU HA 1 17 GLU HG2 . . 3.770 3.704 2.961 3.814 0.044 18 0 "[ . 1 . 2]" 1
375 1 17 GLU HA 1 17 GLU HG3 . . 3.890 3.845 3.760 3.955 0.065 10 0 "[ . 1 . 2]" 1
376 1 17 GLU HA 1 19 LEU H . . 4.170 4.005 3.548 4.245 0.075 20 0 "[ . 1 . 2]" 1
377 1 17 GLU HA 1 20 LEU QD . . 4.780 2.509 2.003 3.099 . 0 0 "[ . 1 . 2]" 1
378 1 17 GLU QB 1 19 LEU H . . 5.180 5.231 5.080 5.282 0.102 15 0 "[ . 1 . 2]" 1
379 1 18 GLU H 1 18 GLU QB . . 3.330 2.731 2.270 3.271 . 0 0 "[ . 1 . 2]" 1
380 1 18 GLU H 1 18 GLU QG . . 3.260 2.695 1.891 3.233 . 0 0 "[ . 1 . 2]" 1
381 1 18 GLU H 1 19 LEU H . . 5.450 2.086 1.760 2.445 . 0 0 "[ . 1 . 2]" 1
382 1 18 GLU H 1 19 LEU HG . . 4.740 3.667 3.124 4.806 0.066 11 0 "[ . 1 . 2]" 1
383 1 18 GLU H 1 20 LEU QD . . 5.030 3.276 2.993 3.722 . 0 0 "[ . 1 . 2]" 1
384 1 18 GLU HA 1 18 GLU QG . . 3.300 3.098 2.354 3.365 0.065 4 0 "[ . 1 . 2]" 1
385 1 18 GLU HA 1 19 LEU HA . . 4.710 4.689 4.488 4.799 0.089 20 0 "[ . 1 . 2]" 1
386 1 18 GLU HA 1 20 LEU H . . 4.800 3.741 3.213 4.440 . 0 0 "[ . 1 . 2]" 1
387 1 18 GLU HA 1 20 LEU QD . . 3.270 2.837 2.420 3.103 . 0 0 "[ . 1 . 2]" 1
388 1 18 GLU QB 1 18 GLU QG . . 2.400 2.055 1.984 2.125 . 0 0 "[ . 1 . 2]" 1
389 1 18 GLU QB 1 20 LEU QD . . 4.180 4.191 4.028 4.265 0.085 9 0 "[ . 1 . 2]" 1
390 1 18 GLU QG 1 19 LEU H . . 5.300 3.933 2.417 4.754 . 0 0 "[ . 1 . 2]" 1
391 1 18 GLU QG 1 20 LEU QD . . 4.470 4.415 4.131 4.522 0.052 11 0 "[ . 1 . 2]" 1
392 1 19 LEU H 1 19 LEU QD . . 4.290 3.260 1.719 3.675 . 0 0 "[ . 1 . 2]" 1
393 1 19 LEU H 1 19 LEU HG . . 3.850 2.983 2.310 3.687 . 0 0 "[ . 1 . 2]" 1
394 1 19 LEU H 1 20 LEU H . . 4.440 3.102 2.117 3.761 . 0 0 "[ . 1 . 2]" 1
395 1 19 LEU H 1 20 LEU QD . . 4.970 2.408 1.733 3.356 . 0 0 "[ . 1 . 2]" 1
396 1 19 LEU HA 1 19 LEU QD . . 3.050 2.189 2.072 3.034 . 0 0 "[ . 1 . 2]" 1
397 1 19 LEU HA 1 21 ASP H . . 5.500 4.021 3.462 4.476 . 0 0 "[ . 1 . 2]" 1
398 1 19 LEU HA 1 25 TYR QB . . 4.230 3.992 3.167 4.311 0.081 10 0 "[ . 1 . 2]" 1
399 1 19 LEU HA 1 25 TYR QD . . 3.580 3.589 2.860 3.683 0.103 1 0 "[ . 1 . 2]" 1
400 1 19 LEU QB 1 20 LEU H . . 5.390 3.806 3.177 4.034 . 0 0 "[ . 1 . 2]" 1
401 1 19 LEU QB 1 20 LEU QD . . 4.680 3.249 2.577 4.197 . 0 0 "[ . 1 . 2]" 1
402 1 19 LEU QB 1 25 TYR QD . . 3.780 3.609 2.807 3.790 0.010 5 0 "[ . 1 . 2]" 1
403 1 19 LEU QB 1 49 ARG HA . . 5.280 2.825 2.371 4.538 . 0 0 "[ . 1 . 2]" 1
404 1 19 LEU QB 1 50 PRO HD2 . . 4.520 2.323 2.062 4.156 . 0 0 "[ . 1 . 2]" 1
405 1 19 LEU QB 1 50 PRO HD3 . . 4.320 2.656 2.130 3.752 . 0 0 "[ . 1 . 2]" 1
406 1 19 LEU QD 1 25 TYR H . . 5.500 5.455 5.198 5.506 0.006 3 0 "[ . 1 . 2]" 1
407 1 19 LEU QD 1 25 TYR HA . . 4.220 4.126 3.635 4.279 0.059 7 0 "[ . 1 . 2]" 1
408 1 19 LEU QD 1 25 TYR QB . . 4.400 3.822 3.609 4.123 . 0 0 "[ . 1 . 2]" 1
409 1 19 LEU QD 1 25 TYR QD . . 2.970 2.426 2.084 2.782 . 0 0 "[ . 1 . 2]" 1
410 1 19 LEU QD 1 25 TYR QE . . 4.000 2.966 2.642 3.425 . 0 0 "[ . 1 . 2]" 1
411 1 19 LEU QD 1 49 ARG HA . . 3.330 2.432 1.890 3.250 . 0 0 "[ . 1 . 2]" 1
412 1 19 LEU QD 1 50 PRO HD2 . . 4.770 3.155 2.149 3.593 . 0 0 "[ . 1 . 2]" 1
413 1 19 LEU QD 1 50 PRO HD3 . . 4.210 2.589 1.923 3.356 . 0 0 "[ . 1 . 2]" 1
414 1 19 LEU QD 1 59 CYS HA . . 5.420 4.350 3.996 4.929 . 0 0 "[ . 1 . 2]" 1
415 1 19 LEU QD 1 59 CYS HB3 . . 5.270 5.170 4.738 5.302 0.032 5 0 "[ . 1 . 2]" 1
416 1 19 LEU QD 1 60 GLY H . . 4.530 3.331 2.777 3.900 . 0 0 "[ . 1 . 2]" 1
417 1 19 LEU QD 1 60 GLY HA2 . . 5.500 3.647 2.954 4.590 . 0 0 "[ . 1 . 2]" 1
418 1 19 LEU HG 1 20 LEU H . . 5.330 5.061 4.101 5.428 0.098 18 0 "[ . 1 . 2]" 1
419 1 19 LEU HG 1 50 PRO HD2 . . 5.500 4.533 2.201 5.308 . 0 0 "[ . 1 . 2]" 1
420 1 19 LEU HG 1 50 PRO HD3 . . 5.470 4.298 1.952 5.527 0.057 8 0 "[ . 1 . 2]" 1
421 1 20 LEU H 1 20 LEU HB2 . . 3.740 2.609 2.417 2.794 . 0 0 "[ . 1 . 2]" 1
422 1 20 LEU H 1 20 LEU HB3 . . 3.620 3.717 3.572 3.816 0.196 10 0 "[ . 1 . 2]" 1
423 1 20 LEU H 1 20 LEU QD . . 4.040 2.558 1.871 3.443 . 0 0 "[ . 1 . 2]" 1
424 1 20 LEU H 1 20 LEU HG . . 4.730 3.986 2.822 4.732 0.002 10 0 "[ . 1 . 2]" 1
425 1 20 LEU H 1 21 ASP H . . 4.050 2.176 1.926 2.697 . 0 0 "[ . 1 . 2]" 1
426 1 20 LEU HA 1 20 LEU QD . . 2.930 2.269 2.075 2.889 . 0 0 "[ . 1 . 2]" 1
427 1 20 LEU HB2 1 21 ASP H . . 4.800 2.893 2.271 3.547 . 0 0 "[ . 1 . 2]" 1
428 1 20 LEU HB3 1 21 ASP H . . 4.260 3.829 3.261 4.311 0.051 13 0 "[ . 1 . 2]" 1
429 1 20 LEU QD 1 21 ASP H . . 4.980 3.832 3.507 4.415 . 0 0 "[ . 1 . 2]" 1
430 1 20 LEU QD 1 50 PRO HB2 . . 3.900 3.568 2.970 3.911 0.011 10 0 "[ . 1 . 2]" 1
431 1 20 LEU QD 1 50 PRO HD2 . . 4.220 3.219 2.549 3.794 . 0 0 "[ . 1 . 2]" 1
432 1 20 LEU QD 1 50 PRO HD3 . . 4.370 3.982 3.387 4.312 . 0 0 "[ . 1 . 2]" 1
433 1 20 LEU QD 1 50 PRO QG . . 3.430 2.131 1.910 2.433 . 0 0 "[ . 1 . 2]" 1
434 1 21 ASP H 1 21 ASP HB2 . . 3.530 2.438 2.172 3.619 0.089 4 0 "[ . 1 . 2]" 1
435 1 21 ASP H 1 21 ASP HB3 . . 3.590 3.483 2.837 3.644 0.054 20 0 "[ . 1 . 2]" 1
436 1 21 ASP H 1 22 ASP H . . 5.500 4.320 3.796 4.637 . 0 0 "[ . 1 . 2]" 1
437 1 21 ASP HA 1 22 ASP H . . 2.890 2.199 1.983 2.594 . 0 0 "[ . 1 . 2]" 1
438 1 21 ASP HA 1 22 ASP HA . . 4.740 4.461 4.262 4.626 . 0 0 "[ . 1 . 2]" 1
439 1 21 ASP HA 1 23 GLU H . . 3.900 3.685 3.392 3.905 0.005 11 0 "[ . 1 . 2]" 1
440 1 21 ASP HA 1 24 GLU H . . 5.500 4.816 4.210 5.561 0.061 20 0 "[ . 1 . 2]" 1
441 1 21 ASP HB2 1 22 ASP H . . 5.080 4.324 2.189 4.678 . 0 0 "[ . 1 . 2]" 1
442 1 21 ASP HB2 1 23 GLU H . . 4.470 4.289 2.060 4.996 0.526 18 1 "[ . 1 . + 2]" 1
443 1 21 ASP HB2 1 24 GLU H . . 3.960 3.727 2.823 4.822 0.862 9 1 "[ . +1 . 2]" 1
444 1 21 ASP HB2 1 24 GLU HB3 . . 3.620 3.112 2.216 4.186 0.566 19 2 "[ . -1 . +2]" 1
445 1 21 ASP HB2 1 25 TYR H . . 5.270 4.175 2.965 5.526 0.256 18 0 "[ . 1 . 2]" 1
446 1 21 ASP HB3 1 22 ASP H . . 4.710 3.643 2.707 4.208 . 0 0 "[ . 1 . 2]" 1
447 1 21 ASP HB3 1 24 GLU HB3 . . 4.100 3.304 2.378 4.707 0.607 19 1 "[ . 1 . +2]" 1
448 1 22 ASP H 1 22 ASP HB2 . . 3.750 2.448 2.150 2.917 . 0 0 "[ . 1 . 2]" 1
449 1 22 ASP H 1 22 ASP HB3 . . 3.540 3.241 2.229 3.624 0.084 16 0 "[ . 1 . 2]" 1
450 1 22 ASP H 1 23 GLU H . . 3.710 2.655 1.780 3.011 . 0 0 "[ . 1 . 2]" 1
451 1 22 ASP H 1 23 GLU QB . . 5.260 4.619 3.660 5.090 . 0 0 "[ . 1 . 2]" 1
452 1 22 ASP H 1 24 GLU H . . 5.260 4.688 4.200 5.172 . 0 0 "[ . 1 . 2]" 1
453 1 22 ASP H 1 25 TYR H . . 4.960 4.998 4.791 5.048 0.088 18 0 "[ . 1 . 2]" 1
454 1 22 ASP HA 1 25 TYR H . . 4.520 3.942 3.306 4.580 0.060 2 0 "[ . 1 . 2]" 1
455 1 22 ASP HA 1 25 TYR QB . . 3.410 2.689 2.300 3.219 . 0 0 "[ . 1 . 2]" 1
456 1 22 ASP HA 1 25 TYR QD . . 4.460 4.098 3.635 4.532 0.072 16 0 "[ . 1 . 2]" 1
457 1 22 ASP HA 1 26 GLU H . . 4.880 4.787 4.400 4.970 0.090 14 0 "[ . 1 . 2]" 1
458 1 22 ASP HB3 1 23 GLU H . . 3.390 3.684 3.209 4.094 0.704 9 7 "[ . *+-*** . *2]" 1
459 1 23 GLU H 1 23 GLU QB . . 3.060 2.520 2.253 2.922 . 0 0 "[ . 1 . 2]" 1
460 1 23 GLU H 1 23 GLU HG2 . . 3.730 2.903 1.833 3.762 0.032 13 0 "[ . 1 . 2]" 1
461 1 23 GLU H 1 23 GLU HG3 . . 3.690 2.738 2.118 3.748 0.058 6 0 "[ . 1 . 2]" 1
462 1 23 GLU HA 1 23 GLU QB . . 2.770 2.295 2.091 2.461 . 0 0 "[ . 1 . 2]" 1
463 1 23 GLU HA 1 23 GLU HG2 . . 3.620 2.916 2.411 3.699 0.079 18 0 "[ . 1 . 2]" 1
464 1 23 GLU HA 1 23 GLU HG3 . . 3.600 3.325 2.540 3.703 0.103 14 0 "[ . 1 . 2]" 1
465 1 23 GLU HA 1 26 GLU H . . 4.010 3.777 3.463 4.074 0.064 9 0 "[ . 1 . 2]" 1
466 1 23 GLU HA 1 27 GLU H . . 5.040 4.789 4.200 5.095 0.055 3 0 "[ . 1 . 2]" 1
467 1 24 GLU H 1 24 GLU HB3 . . 2.910 2.545 2.022 3.511 0.601 19 1 "[ . 1 . +2]" 1
468 1 24 GLU H 1 24 GLU HG2 . . 3.990 4.329 4.061 4.588 0.598 6 8 "[ ** .+* 1* *- *]" 1
469 1 24 GLU H 1 25 TYR H . . 3.380 2.639 1.973 3.055 . 0 0 "[ . 1 . 2]" 1
470 1 24 GLU H 1 25 TYR QB . . 4.900 4.178 3.252 4.517 . 0 0 "[ . 1 . 2]" 1
471 1 24 GLU H 1 26 GLU H . . 4.850 4.234 3.287 4.609 . 0 0 "[ . 1 . 2]" 1
472 1 24 GLU H 1 27 GLU H . . 5.500 5.040 4.374 5.264 . 0 0 "[ . 1 . 2]" 1
473 1 24 GLU HA 1 24 GLU HG2 . . 3.730 3.159 2.669 3.944 0.214 4 0 "[ . 1 . 2]" 1
474 1 24 GLU HA 1 27 GLU H . . 3.970 3.454 3.060 3.753 . 0 0 "[ . 1 . 2]" 1
475 1 24 GLU HA 1 27 GLU QG . . 3.350 2.672 2.197 3.230 . 0 0 "[ . 1 . 2]" 1
476 1 24 GLU HA 1 28 ILE H . . 4.660 4.223 3.903 4.602 . 0 0 "[ . 1 . 2]" 1
477 1 24 GLU HB3 1 25 TYR H . . 3.900 2.759 2.399 3.280 . 0 0 "[ . 1 . 2]" 1
478 1 24 GLU HG2 1 25 TYR H . . 5.150 4.093 2.996 5.069 . 0 0 "[ . 1 . 2]" 1
479 1 24 GLU HG2 1 28 ILE MD . . 4.160 2.467 2.096 3.197 . 0 0 "[ . 1 . 2]" 1
480 1 24 GLU HG3 1 25 TYR H . . 5.000 4.704 3.454 5.120 0.120 7 0 "[ . 1 . 2]" 1
481 1 24 GLU HG3 1 28 ILE MD . . 4.320 3.295 2.146 4.244 . 0 0 "[ . 1 . 2]" 1
482 1 24 GLU HG3 1 28 ILE HG12 . . 5.500 5.078 3.978 6.058 0.558 20 3 "[ - . 1 . *+]" 1
483 1 25 TYR H 1 25 TYR QB . . 3.110 2.121 2.075 2.228 . 0 0 "[ . 1 . 2]" 1
484 1 25 TYR H 1 25 TYR QD . . 4.470 4.113 4.059 4.201 . 0 0 "[ . 1 . 2]" 1
485 1 25 TYR H 1 26 GLU H . . 3.620 2.939 2.765 3.102 . 0 0 "[ . 1 . 2]" 1
486 1 25 TYR H 1 27 GLU H . . 5.090 4.415 4.215 4.563 . 0 0 "[ . 1 . 2]" 1
487 1 25 TYR H 1 27 GLU QG . . 5.370 5.007 4.733 5.219 . 0 0 "[ . 1 . 2]" 1
488 1 25 TYR H 1 28 ILE H . . 5.500 5.016 4.824 5.402 . 0 0 "[ . 1 . 2]" 1
489 1 25 TYR H 1 28 ILE MD . . 5.310 4.061 3.730 4.538 . 0 0 "[ . 1 . 2]" 1
490 1 25 TYR HA 1 25 TYR QD . . 3.330 3.136 2.898 3.305 . 0 0 "[ . 1 . 2]" 1
491 1 25 TYR HA 1 28 ILE HB . . 3.620 3.060 2.772 3.358 . 0 0 "[ . 1 . 2]" 1
492 1 25 TYR HA 1 28 ILE MD . . 3.780 2.665 2.161 3.302 . 0 0 "[ . 1 . 2]" 1
493 1 25 TYR HA 1 28 ILE MG . . 4.410 4.286 3.953 4.497 0.087 9 0 "[ . 1 . 2]" 1
494 1 25 TYR HA 1 29 VAL MG2 . . 4.820 4.177 3.898 4.538 . 0 0 "[ . 1 . 2]" 1
495 1 25 TYR QB 1 26 GLU H . . 3.430 2.775 2.508 2.968 . 0 0 "[ . 1 . 2]" 1
496 1 25 TYR QB 1 26 GLU HA . . 4.630 4.331 4.087 4.485 . 0 0 "[ . 1 . 2]" 1
497 1 25 TYR QB 1 26 GLU HB2 . . 4.600 4.077 3.720 4.337 . 0 0 "[ . 1 . 2]" 1
498 1 25 TYR QB 1 27 GLU H . . 5.340 4.802 4.584 5.022 . 0 0 "[ . 1 . 2]" 1
499 1 25 TYR QB 1 28 ILE MD . . 4.990 4.216 3.791 4.773 . 0 0 "[ . 1 . 2]" 1
500 1 25 TYR QD 1 26 GLU H . . 3.670 3.271 2.871 3.518 . 0 0 "[ . 1 . 2]" 1
501 1 25 TYR QD 1 26 GLU HA . . 4.450 3.025 2.587 3.361 . 0 0 "[ . 1 . 2]" 1
502 1 25 TYR QD 1 26 GLU HB2 . . 5.500 3.772 3.181 4.212 . 0 0 "[ . 1 . 2]" 1
503 1 25 TYR QD 1 26 GLU HB3 . . 5.210 4.838 4.510 5.116 . 0 0 "[ . 1 . 2]" 1
504 1 25 TYR QD 1 26 GLU HG2 . . 4.410 3.607 2.178 4.452 0.042 9 0 "[ . 1 . 2]" 1
505 1 25 TYR QD 1 26 GLU HG3 . . 4.430 3.254 2.231 4.482 0.052 12 0 "[ . 1 . 2]" 1
506 1 25 TYR QD 1 28 ILE HB . . 5.180 5.161 4.837 5.270 0.090 5 0 "[ . 1 . 2]" 1
507 1 25 TYR QD 1 28 ILE MD . . 5.200 4.742 4.238 5.208 0.008 10 0 "[ . 1 . 2]" 1
508 1 25 TYR QD 1 28 ILE MG . . 5.500 5.471 5.052 5.618 0.118 16 0 "[ . 1 . 2]" 1
509 1 25 TYR QD 1 29 VAL MG2 . . 4.190 3.583 3.028 3.978 . 0 0 "[ . 1 . 2]" 1
510 1 25 TYR QD 1 47 ILE HB . . 5.200 4.226 3.989 4.459 . 0 0 "[ . 1 . 2]" 1
511 1 25 TYR QD 1 47 ILE MD . . 5.230 4.038 3.596 4.437 . 0 0 "[ . 1 . 2]" 1
512 1 25 TYR QD 1 47 ILE MG . . 4.450 3.339 2.903 3.910 . 0 0 "[ . 1 . 2]" 1
513 1 25 TYR QD 1 49 ARG HG3 . . 5.470 4.720 3.641 6.287 0.817 1 2 "[+ . - 1 . 2]" 1
514 1 25 TYR QE 1 26 GLU H . . 5.500 5.471 5.071 5.592 0.092 9 0 "[ . 1 . 2]" 1
515 1 25 TYR QE 1 26 GLU HA . . 5.140 4.270 3.890 4.764 . 0 0 "[ . 1 . 2]" 1
516 1 25 TYR QE 1 29 VAL MG2 . . 3.550 3.240 2.706 3.629 0.079 4 0 "[ . 1 . 2]" 1
517 1 25 TYR QE 1 47 ILE H . . 4.430 4.447 4.218 4.530 0.100 18 0 "[ . 1 . 2]" 1
518 1 25 TYR QE 1 47 ILE HB . . 3.270 2.334 2.103 2.675 . 0 0 "[ . 1 . 2]" 1
519 1 25 TYR QE 1 47 ILE MD . . 4.590 3.510 3.248 3.757 . 0 0 "[ . 1 . 2]" 1
520 1 25 TYR QE 1 47 ILE MG . . 2.900 2.488 2.261 2.894 . 0 0 "[ . 1 . 2]" 1
521 1 25 TYR QE 1 49 ARG HD2 . . 3.970 2.950 2.349 4.274 0.304 16 0 "[ . 1 . 2]" 1
522 1 25 TYR QE 1 49 ARG HD3 . . 4.210 3.561 2.445 4.289 0.079 4 0 "[ . 1 . 2]" 1
523 1 25 TYR QE 1 49 ARG HG3 . . 4.950 3.885 2.353 5.506 0.556 1 2 "[+ . - 1 . 2]" 1
524 1 26 GLU H 1 26 GLU HB2 . . 3.220 2.084 1.941 2.225 . 0 0 "[ . 1 . 2]" 1
525 1 26 GLU H 1 26 GLU HB3 . . 3.180 3.221 3.004 3.268 0.088 8 0 "[ . 1 . 2]" 1
526 1 26 GLU H 1 26 GLU HG3 . . 3.720 3.766 3.298 4.270 0.550 4 1 "[ +. 1 . 2]" 1
527 1 26 GLU H 1 27 GLU H . . 3.520 2.390 2.256 2.540 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLU H 1 27 GLU QG . . 3.780 3.768 3.740 3.793 0.013 18 0 "[ . 1 . 2]" 1
529 1 26 GLU H 1 28 ILE HB . . 5.090 5.132 4.924 5.164 0.074 6 0 "[ . 1 . 2]" 1
530 1 26 GLU H 1 29 VAL MG2 . . 5.500 4.818 4.271 5.080 . 0 0 "[ . 1 . 2]" 1
531 1 26 GLU HA 1 26 GLU HB2 . . 2.950 2.937 2.829 3.016 0.066 10 0 "[ . 1 . 2]" 1
532 1 26 GLU HA 1 26 GLU HG2 . . 3.660 2.455 2.155 2.809 . 0 0 "[ . 1 . 2]" 1
533 1 26 GLU HA 1 26 GLU HG3 . . 3.840 2.831 2.119 3.711 . 0 0 "[ . 1 . 2]" 1
534 1 26 GLU HA 1 29 VAL H . . 3.780 3.362 3.019 3.837 0.057 12 0 "[ . 1 . 2]" 1
535 1 26 GLU HA 1 29 VAL HB . . 3.380 2.878 2.366 3.260 . 0 0 "[ . 1 . 2]" 1
536 1 26 GLU HA 1 29 VAL MG1 . . 4.420 4.158 3.687 4.482 0.062 3 0 "[ . 1 . 2]" 1
537 1 26 GLU HA 1 29 VAL MG2 . . 3.630 3.020 2.247 3.689 0.059 12 0 "[ . 1 . 2]" 1
538 1 26 GLU HA 1 30 GLU H . . 4.520 4.451 4.068 4.602 0.082 15 0 "[ . 1 . 2]" 1
539 1 26 GLU HA 1 30 GLU HG2 . . 5.500 5.025 4.258 5.573 0.073 5 0 "[ . 1 . 2]" 1
540 1 26 GLU HA 1 30 GLU HG3 . . 5.200 5.097 4.402 5.582 0.382 1 0 "[ . 1 . 2]" 1
541 1 26 GLU HB3 1 27 GLU H . . 3.100 3.138 2.903 3.181 0.081 18 0 "[ . 1 . 2]" 1
542 1 26 GLU HG3 1 27 GLU H . . 4.940 5.047 4.901 5.321 0.381 4 0 "[ . 1 . 2]" 1
543 1 27 GLU H 1 27 GLU HB2 . . 2.940 2.650 2.544 2.766 . 0 0 "[ . 1 . 2]" 1
544 1 27 GLU H 1 27 GLU QG . . 3.650 2.077 1.976 2.232 . 0 0 "[ . 1 . 2]" 1
545 1 27 GLU H 1 28 ILE H . . 3.110 2.672 2.529 2.809 . 0 0 "[ . 1 . 2]" 1
546 1 27 GLU H 1 28 ILE HB . . 5.160 4.716 4.519 4.974 . 0 0 "[ . 1 . 2]" 1
547 1 27 GLU H 1 28 ILE HG13 . . 5.500 4.436 4.193 4.734 . 0 0 "[ . 1 . 2]" 1
548 1 27 GLU H 1 29 VAL MG2 . . 5.500 5.189 4.771 5.481 . 0 0 "[ . 1 . 2]" 1
549 1 27 GLU HA 1 27 GLU QG . . 3.730 2.848 2.486 3.195 . 0 0 "[ . 1 . 2]" 1
550 1 27 GLU HA 1 29 VAL H . . 4.520 4.338 3.850 4.579 0.059 3 0 "[ . 1 . 2]" 1
551 1 27 GLU HA 1 30 GLU H . . 3.940 3.593 3.333 3.940 0.000 6 0 "[ . 1 . 2]" 1
552 1 27 GLU HA 1 31 ASP HB2 . . 5.430 5.023 4.480 5.497 0.067 14 0 "[ . 1 . 2]" 1
553 1 27 GLU HB2 1 27 GLU QG . . 2.720 2.244 2.143 2.428 . 0 0 "[ . 1 . 2]" 1
554 1 27 GLU HB2 1 28 ILE H . . 3.560 2.439 2.219 2.957 . 0 0 "[ . 1 . 2]" 1
555 1 27 GLU HB2 1 28 ILE HG13 . . 4.540 2.970 2.626 3.207 . 0 0 "[ . 1 . 2]" 1
556 1 27 GLU QG 1 28 ILE H . . 5.050 3.822 3.683 4.012 . 0 0 "[ . 1 . 2]" 1
557 1 27 GLU QG 1 28 ILE HG13 . . 5.140 4.695 4.336 4.891 . 0 0 "[ . 1 . 2]" 1
558 1 28 ILE H 1 28 ILE HB . . 3.070 2.394 2.267 2.502 . 0 0 "[ . 1 . 2]" 1
559 1 28 ILE H 1 28 ILE MD . . 4.010 3.355 3.210 3.577 . 0 0 "[ . 1 . 2]" 1
560 1 28 ILE H 1 28 ILE HG12 . . 3.990 3.621 3.492 3.784 . 0 0 "[ . 1 . 2]" 1
561 1 28 ILE H 1 28 ILE HG13 . . 3.570 2.248 2.071 2.434 . 0 0 "[ . 1 . 2]" 1
562 1 28 ILE H 1 28 ILE MG . . 4.360 3.744 3.706 3.779 . 0 0 "[ . 1 . 2]" 1
563 1 28 ILE H 1 29 VAL HA . . 5.460 5.385 5.238 5.468 0.008 7 0 "[ . 1 . 2]" 1
564 1 28 ILE H 1 29 VAL MG2 . . 5.370 4.384 4.081 4.546 . 0 0 "[ . 1 . 2]" 1
565 1 28 ILE H 1 30 GLU H . . 5.430 4.315 4.115 4.516 . 0 0 "[ . 1 . 2]" 1
566 1 28 ILE HA 1 28 ILE MD . . 4.000 3.898 3.821 3.967 . 0 0 "[ . 1 . 2]" 1
567 1 28 ILE HA 1 28 ILE HG12 . . 3.650 2.642 2.436 2.839 . 0 0 "[ . 1 . 2]" 1
568 1 28 ILE HA 1 28 ILE HG13 . . 3.780 2.810 2.684 2.931 . 0 0 "[ . 1 . 2]" 1
569 1 28 ILE HA 1 28 ILE MG . . 3.320 2.446 2.301 2.571 . 0 0 "[ . 1 . 2]" 1
570 1 28 ILE HA 1 31 ASP H . . 3.970 3.502 3.294 3.768 . 0 0 "[ . 1 . 2]" 1
571 1 28 ILE HA 1 31 ASP HB2 . . 3.590 3.466 3.010 3.634 0.044 13 0 "[ . 1 . 2]" 1
572 1 28 ILE HA 1 31 ASP HB3 . . 3.630 2.989 2.324 3.694 0.064 12 0 "[ . 1 . 2]" 1
573 1 28 ILE HA 1 32 VAL H . . 4.720 4.106 3.703 4.522 . 0 0 "[ . 1 . 2]" 1
574 1 28 ILE HA 1 32 VAL MG2 . . 4.430 3.586 2.946 3.893 . 0 0 "[ . 1 . 2]" 1
575 1 28 ILE HB 1 28 ILE MD . . 3.360 2.352 2.294 2.426 . 0 0 "[ . 1 . 2]" 1
576 1 28 ILE HB 1 29 VAL HA . . 4.740 4.627 4.260 4.811 0.071 1 0 "[ . 1 . 2]" 1
577 1 28 ILE HB 1 29 VAL MG2 . . 5.160 3.594 3.307 3.882 . 0 0 "[ . 1 . 2]" 1
578 1 28 ILE MD 1 28 ILE MG . . 3.240 2.114 2.070 2.178 . 0 0 "[ . 1 . 2]" 1
579 1 28 ILE HG12 1 28 ILE MG . . 3.180 2.330 2.254 2.398 . 0 0 "[ . 1 . 2]" 1
580 1 28 ILE MG 1 29 VAL H . . 4.150 3.557 3.258 4.019 . 0 0 "[ . 1 . 2]" 1
581 1 28 ILE MG 1 29 VAL HA . . 4.050 3.579 3.289 3.989 . 0 0 "[ . 1 . 2]" 1
582 1 28 ILE MG 1 31 ASP HB2 . . 4.930 5.030 4.864 5.315 0.385 13 0 "[ . 1 . 2]" 1
583 1 28 ILE MG 1 31 ASP HB3 . . 5.500 4.037 3.717 4.528 . 0 0 "[ . 1 . 2]" 1
584 1 28 ILE MG 1 32 VAL H . . 4.630 4.300 3.859 4.717 0.087 17 0 "[ . 1 . 2]" 1
585 1 29 VAL H 1 29 VAL HB . . 3.020 2.368 2.155 2.619 . 0 0 "[ . 1 . 2]" 1
586 1 29 VAL H 1 29 VAL MG1 . . 3.800 3.763 3.665 3.829 0.029 1 0 "[ . 1 . 2]" 1
587 1 29 VAL H 1 29 VAL MG2 . . 3.020 2.387 2.218 2.606 . 0 0 "[ . 1 . 2]" 1
588 1 29 VAL H 1 30 GLU H . . 3.610 2.644 2.241 2.916 . 0 0 "[ . 1 . 2]" 1
589 1 29 VAL H 1 31 ASP H . . 5.010 4.168 3.834 4.378 . 0 0 "[ . 1 . 2]" 1
590 1 29 VAL H 1 32 VAL MG2 . . 5.330 5.075 4.717 5.390 0.060 6 0 "[ . 1 . 2]" 1
591 1 29 VAL H 1 47 ILE MD . . 4.480 4.334 4.023 4.560 0.080 10 0 "[ . 1 . 2]" 1
592 1 29 VAL HA 1 29 VAL MG1 . . 3.230 2.532 2.371 2.648 . 0 0 "[ . 1 . 2]" 1
593 1 29 VAL HA 1 29 VAL MG2 . . 3.180 2.364 2.238 2.536 . 0 0 "[ . 1 . 2]" 1
594 1 29 VAL HA 1 32 VAL H . . 4.510 3.869 3.604 4.233 . 0 0 "[ . 1 . 2]" 1
595 1 29 VAL HA 1 32 VAL HB . . 3.870 3.185 2.611 3.561 . 0 0 "[ . 1 . 2]" 1
596 1 29 VAL HA 1 32 VAL MG1 . . 4.630 4.350 3.740 4.702 0.072 9 0 "[ . 1 . 2]" 1
597 1 29 VAL HA 1 32 VAL MG2 . . 4.160 4.016 3.657 4.259 0.099 4 0 "[ . 1 . 2]" 1
598 1 29 VAL HA 1 33 ARG H . . 5.120 4.202 3.835 4.583 . 0 0 "[ . 1 . 2]" 1
599 1 29 VAL HA 1 47 ILE MD . . 3.450 3.381 2.974 3.544 0.094 10 0 "[ . 1 . 2]" 1
600 1 29 VAL HB 1 30 GLU H . . 3.450 2.750 2.473 3.084 . 0 0 "[ . 1 . 2]" 1
601 1 29 VAL HB 1 31 ASP H . . 5.080 5.136 5.002 5.168 0.088 15 0 "[ . 1 . 2]" 1
602 1 29 VAL MG1 1 30 GLU H . . 3.910 3.409 3.110 3.597 . 0 0 "[ . 1 . 2]" 1
603 1 29 VAL MG1 1 30 GLU HA . . 4.030 3.372 3.062 3.651 . 0 0 "[ . 1 . 2]" 1
604 1 29 VAL MG1 1 30 GLU HG2 . . 5.030 3.227 2.776 3.630 . 0 0 "[ . 1 . 2]" 1
605 1 29 VAL MG1 1 30 GLU HG3 . . 5.230 4.514 3.720 5.071 . 0 0 "[ . 1 . 2]" 1
606 1 29 VAL MG1 1 31 ASP H . . 5.370 5.118 4.971 5.256 . 0 0 "[ . 1 . 2]" 1
607 1 29 VAL MG1 1 33 ARG QD . . 4.430 3.533 2.800 4.478 0.048 13 0 "[ . 1 . 2]" 1
608 1 29 VAL MG2 1 30 GLU H . . 4.160 4.050 3.778 4.241 0.081 5 0 "[ . 1 . 2]" 1
609 1 29 VAL MG2 1 30 GLU HG3 . . 5.500 5.757 4.939 6.359 0.859 9 6 "[ - . * +1 *** 2]" 1
610 1 29 VAL MG2 1 47 ILE H . . 5.170 5.060 4.746 5.263 0.093 20 0 "[ . 1 . 2]" 1
611 1 29 VAL MG2 1 47 ILE HB . . 4.790 3.966 3.724 4.281 . 0 0 "[ . 1 . 2]" 1
612 1 29 VAL MG2 1 47 ILE MD . . 3.090 2.102 1.930 2.334 . 0 0 "[ . 1 . 2]" 1
613 1 29 VAL MG2 1 47 ILE HG12 . . 5.500 4.230 3.826 4.537 . 0 0 "[ . 1 . 2]" 1
614 1 30 GLU H 1 30 GLU HB2 . . 3.240 2.425 2.251 2.592 . 0 0 "[ . 1 . 2]" 1
615 1 30 GLU H 1 30 GLU QB . . 3.410 2.389 2.227 2.542 . 0 0 "[ . 1 . 2]" 1
616 1 30 GLU H 1 30 GLU HG2 . . 3.660 2.703 2.210 3.289 . 0 0 "[ . 1 . 2]" 1
617 1 30 GLU H 1 30 GLU HG3 . . 3.680 3.133 2.547 3.707 0.027 7 0 "[ . 1 . 2]" 1
618 1 30 GLU H 1 31 ASP H . . 3.360 2.580 2.336 2.744 . 0 0 "[ . 1 . 2]" 1
619 1 30 GLU H 1 32 VAL H . . 4.940 4.121 3.860 4.324 . 0 0 "[ . 1 . 2]" 1
620 1 30 GLU HA 1 30 GLU HG2 . . 3.680 2.590 2.350 2.900 . 0 0 "[ . 1 . 2]" 1
621 1 30 GLU HA 1 30 GLU HG3 . . 3.590 3.656 3.398 3.759 0.169 9 0 "[ . 1 . 2]" 1
622 1 30 GLU HA 1 32 VAL H . . 4.140 4.215 4.170 4.229 0.089 13 0 "[ . 1 . 2]" 1
623 1 30 GLU HA 1 33 ARG H . . 3.550 3.244 2.889 3.522 . 0 0 "[ . 1 . 2]" 1
624 1 30 GLU HA 1 33 ARG HB2 . . 3.670 3.176 2.525 3.705 0.035 9 0 "[ . 1 . 2]" 1
625 1 30 GLU HA 1 33 ARG HB3 . . 3.820 2.528 2.181 2.983 . 0 0 "[ . 1 . 2]" 1
626 1 30 GLU HA 1 33 ARG QD . . 4.640 3.726 2.775 4.710 0.070 3 0 "[ . 1 . 2]" 1
627 1 30 GLU HA 1 33 ARG QG . . 4.650 4.331 4.084 4.725 0.075 11 0 "[ . 1 . 2]" 1
628 1 30 GLU QB 1 31 ASP HA . . 4.470 3.980 3.814 4.224 . 0 0 "[ . 1 . 2]" 1
629 1 30 GLU HB2 1 31 ASP H . . 3.510 2.787 2.529 3.119 . 0 0 "[ . 1 . 2]" 1
630 1 30 GLU HG3 1 31 ASP H . . 4.700 4.767 4.424 5.229 0.529 20 1 "[ . 1 . +]" 1
631 1 31 ASP H 1 31 ASP HB2 . . 3.210 2.463 2.285 2.682 . 0 0 "[ . 1 . 2]" 1
632 1 31 ASP H 1 31 ASP HB3 . . 3.360 2.709 2.455 3.061 . 0 0 "[ . 1 . 2]" 1
633 1 31 ASP H 1 32 VAL H . . 3.390 2.629 2.386 2.773 . 0 0 "[ . 1 . 2]" 1
634 1 31 ASP H 1 32 VAL MG2 . . 5.320 4.208 3.925 4.452 . 0 0 "[ . 1 . 2]" 1
635 1 31 ASP HA 1 31 ASP HB3 . . 3.020 3.040 2.993 3.060 0.040 19 0 "[ . 1 . 2]" 1
636 1 31 ASP HA 1 33 ARG H . . 5.500 4.415 4.179 4.702 . 0 0 "[ . 1 . 2]" 1
637 1 31 ASP HA 1 34 ASP HB3 . . 3.530 3.636 3.232 4.432 0.902 16 3 "[ . - * .+ 2]" 1
638 1 31 ASP HA 1 35 GLU H . . 4.960 4.668 4.242 5.025 0.065 3 0 "[ . 1 . 2]" 1
639 1 31 ASP HB2 1 32 VAL MG2 . . 4.450 4.318 3.702 4.619 0.169 13 0 "[ . 1 . 2]" 1
640 1 31 ASP HB3 1 32 VAL MG2 . . 4.530 2.808 2.258 3.342 . 0 0 "[ . 1 . 2]" 1
641 1 32 VAL H 1 32 VAL HB . . 3.140 2.345 2.140 2.519 . 0 0 "[ . 1 . 2]" 1
642 1 32 VAL H 1 32 VAL MG1 . . 3.820 3.744 3.599 3.849 0.029 16 0 "[ . 1 . 2]" 1
643 1 32 VAL H 1 32 VAL MG2 . . 3.090 2.428 2.336 2.547 . 0 0 "[ . 1 . 2]" 1
644 1 32 VAL H 1 33 ARG H . . 3.110 2.377 2.199 2.526 . 0 0 "[ . 1 . 2]" 1
645 1 32 VAL HA 1 32 VAL MG1 . . 3.270 2.493 2.376 2.593 . 0 0 "[ . 1 . 2]" 1
646 1 32 VAL HA 1 32 VAL MG2 . . 3.120 2.346 2.236 2.472 . 0 0 "[ . 1 . 2]" 1
647 1 32 VAL HA 1 35 GLU H . . 4.100 3.099 2.879 3.302 . 0 0 "[ . 1 . 2]" 1
648 1 32 VAL HA 1 35 GLU HB2 . . 4.470 4.543 4.470 4.567 0.097 19 0 "[ . 1 . 2]" 1
649 1 32 VAL HA 1 35 GLU HB3 . . 4.030 3.236 2.930 3.456 . 0 0 "[ . 1 . 2]" 1
650 1 32 VAL HA 1 35 GLU QG . . 4.890 2.201 1.981 2.886 . 0 0 "[ . 1 . 2]" 1
651 1 32 VAL HB 1 33 ARG H . . 3.470 2.932 2.722 3.241 . 0 0 "[ . 1 . 2]" 1
652 1 32 VAL MG1 1 33 ARG H . . 3.840 3.604 3.336 3.922 0.082 9 0 "[ . 1 . 2]" 1
653 1 32 VAL MG1 1 35 GLU H . . 5.090 4.491 4.017 4.845 . 0 0 "[ . 1 . 2]" 1
654 1 32 VAL MG1 1 35 GLU QG . . 3.500 2.598 2.194 3.124 . 0 0 "[ . 1 . 2]" 1
655 1 32 VAL MG1 1 36 CYS H . . 4.830 3.758 3.467 4.314 . 0 0 "[ . 1 . 2]" 1
656 1 32 VAL MG1 1 36 CYS QB . . 4.800 3.227 2.555 4.010 . 0 0 "[ . 1 . 2]" 1
657 1 32 VAL MG2 1 33 ARG H . . 3.980 4.052 3.972 4.085 0.105 3 0 "[ . 1 . 2]" 1
658 1 32 VAL MG2 1 35 GLU H . . 5.500 4.924 4.810 5.039 . 0 0 "[ . 1 . 2]" 1
659 1 32 VAL MG2 1 35 GLU QG . . 4.900 3.437 3.053 3.989 . 0 0 "[ . 1 . 2]" 1
660 1 33 ARG H 1 33 ARG HB2 . . 3.310 2.528 2.313 2.795 . 0 0 "[ . 1 . 2]" 1
661 1 33 ARG H 1 33 ARG HB3 . . 3.350 2.557 2.301 2.821 . 0 0 "[ . 1 . 2]" 1
662 1 33 ARG H 1 33 ARG QD . . 4.930 4.437 4.011 4.919 . 0 0 "[ . 1 . 2]" 1
663 1 33 ARG H 1 33 ARG QG . . 4.290 4.009 3.937 4.138 . 0 0 "[ . 1 . 2]" 1
664 1 33 ARG H 1 34 ASP HB3 . . 4.920 5.067 4.654 5.818 0.898 13 3 "[ . - + .* 2]" 1
665 1 33 ARG H 1 45 ILE MD . . 3.900 3.329 2.879 3.997 0.097 4 0 "[ . 1 . 2]" 1
666 1 33 ARG HA 1 33 ARG QG . . 3.330 2.443 2.286 2.656 . 0 0 "[ . 1 . 2]" 1
667 1 33 ARG HA 1 35 GLU H . . 4.570 4.471 3.973 4.639 0.069 19 0 "[ . 1 . 2]" 1
668 1 33 ARG HA 1 35 GLU QG . . 5.060 4.855 4.524 4.998 . 0 0 "[ . 1 . 2]" 1
669 1 33 ARG HA 1 36 CYS H . . 4.260 3.691 3.162 4.107 . 0 0 "[ . 1 . 2]" 1
670 1 33 ARG HA 1 36 CYS QB . . 4.350 3.513 2.534 4.172 . 0 0 "[ . 1 . 2]" 1
671 1 33 ARG HA 1 37 SER H . . 4.770 4.119 3.604 4.694 . 0 0 "[ . 1 . 2]" 1
672 1 33 ARG HA 1 45 ILE MD . . 3.540 2.677 2.297 3.271 . 0 0 "[ . 1 . 2]" 1
673 1 33 ARG HB2 1 34 ASP H . . 4.330 4.028 3.596 4.274 . 0 0 "[ . 1 . 2]" 1
674 1 33 ARG HB2 1 45 ILE MD . . 3.460 2.483 2.061 3.076 . 0 0 "[ . 1 . 2]" 1
675 1 33 ARG HB3 1 34 ASP H . . 3.420 2.844 2.290 3.270 . 0 0 "[ . 1 . 2]" 1
676 1 33 ARG HB3 1 45 ILE MD . . 4.300 3.861 3.485 4.330 0.030 5 0 "[ . 1 . 2]" 1
677 1 33 ARG QD 1 42 VAL QG . . 4.800 3.197 2.143 4.278 . 0 0 "[ . 1 . 2]" 1
678 1 33 ARG QG 1 34 ASP H . . 4.450 3.868 3.569 4.232 . 0 0 "[ . 1 . 2]" 1
679 1 33 ARG QG 1 34 ASP HA . . 4.700 4.035 3.672 4.391 . 0 0 "[ . 1 . 2]" 1
680 1 33 ARG QG 1 37 SER HA . . 5.500 5.281 4.443 5.596 0.096 4 0 "[ . 1 . 2]" 1
681 1 33 ARG QG 1 42 VAL QG . . 4.270 2.436 1.974 3.976 . 0 0 "[ . 1 . 2]" 1
682 1 34 ASP H 1 34 ASP HB2 . . 3.440 2.579 2.115 2.921 . 0 0 "[ . 1 . 2]" 1
683 1 34 ASP H 1 34 ASP HB3 . . 3.130 2.619 2.288 3.152 0.022 10 0 "[ . 1 . 2]" 1
684 1 34 ASP H 1 35 GLU H . . 3.220 2.717 2.548 2.810 . 0 0 "[ . 1 . 2]" 1
685 1 34 ASP H 1 35 GLU HA . . 5.500 5.254 5.109 5.374 . 0 0 "[ . 1 . 2]" 1
686 1 34 ASP HA 1 37 SER H . . 4.190 3.613 2.952 4.256 0.066 17 0 "[ . 1 . 2]" 1
687 1 34 ASP HA 1 37 SER HB2 . . 3.900 3.035 2.152 3.845 . 0 0 "[ . 1 . 2]" 1
688 1 34 ASP HB3 1 35 GLU H . . 3.550 2.623 2.205 3.133 . 0 0 "[ . 1 . 2]" 1
689 1 34 ASP HB3 1 35 GLU HA . . 5.110 4.079 3.645 4.543 . 0 0 "[ . 1 . 2]" 1
690 1 35 GLU H 1 35 GLU HB2 . . 3.620 3.581 3.491 3.683 0.063 16 0 "[ . 1 . 2]" 1
691 1 35 GLU H 1 35 GLU QG . . 3.910 2.877 2.743 3.033 . 0 0 "[ . 1 . 2]" 1
692 1 35 GLU H 1 36 CYS H . . 3.070 2.750 2.570 3.071 0.001 7 0 "[ . 1 . 2]" 1
693 1 35 GLU HA 1 38 LYS H . . 4.440 3.849 3.568 4.249 . 0 0 "[ . 1 . 2]" 1
694 1 35 GLU HA 1 38 LYS HB2 . . 5.150 4.270 3.907 4.638 . 0 0 "[ . 1 . 2]" 1
695 1 35 GLU HA 1 38 LYS HD2 . . 4.000 2.755 2.445 3.109 . 0 0 "[ . 1 . 2]" 1
696 1 35 GLU HA 1 38 LYS HD3 . . 4.430 4.277 2.347 4.511 0.081 2 0 "[ . 1 . 2]" 1
697 1 35 GLU HA 1 38 LYS QE . . 3.920 3.093 1.981 3.984 0.064 1 0 "[ . 1 . 2]" 1
698 1 35 GLU HA 1 38 LYS HG3 . . 4.130 2.928 2.408 3.512 . 0 0 "[ . 1 . 2]" 1
699 1 35 GLU HB2 1 36 CYS H . . 4.090 4.035 3.916 4.161 0.071 9 0 "[ . 1 . 2]" 1
700 1 35 GLU HB2 1 38 LYS HD2 . . 4.030 3.590 2.973 4.029 . 0 0 "[ . 1 . 2]" 1
701 1 35 GLU HB2 1 79 LEU MD1 . . 4.620 4.686 4.383 4.736 0.116 2 0 "[ . 1 . 2]" 1
702 1 35 GLU HB2 1 79 LEU MD2 . . 5.250 4.072 3.278 4.873 . 0 0 "[ . 1 . 2]" 1
703 1 35 GLU HB2 1 84 PHE QE . . 5.190 4.879 4.153 5.264 0.074 10 0 "[ . 1 . 2]" 1
704 1 35 GLU HB3 1 36 CYS H . . 4.020 3.820 3.634 4.016 . 0 0 "[ . 1 . 2]" 1
705 1 35 GLU QG 1 36 CYS QB . . 4.400 3.012 2.625 3.608 . 0 0 "[ . 1 . 2]" 1
706 1 35 GLU QG 1 42 VAL QG . . 5.500 4.860 4.544 5.116 . 0 0 "[ . 1 . 2]" 1
707 1 35 GLU QG 1 79 LEU MD1 . . 4.700 3.227 2.707 3.957 . 0 0 "[ . 1 . 2]" 1
708 1 35 GLU QG 1 79 LEU MD2 . . 4.170 3.506 2.829 4.155 . 0 0 "[ . 1 . 2]" 1
709 1 36 CYS H 1 36 CYS QB . . 3.400 2.372 2.084 2.980 . 0 0 "[ . 1 . 2]" 1
710 1 36 CYS H 1 37 SER H . . 3.360 2.592 2.332 2.747 . 0 0 "[ . 1 . 2]" 1
711 1 36 CYS H 1 37 SER HA . . 5.500 5.202 4.981 5.336 . 0 0 "[ . 1 . 2]" 1
712 1 36 CYS H 1 37 SER HB2 . . 4.950 4.622 4.026 5.073 0.123 10 0 "[ . 1 . 2]" 1
713 1 36 CYS H 1 38 LYS H . . 4.640 4.156 3.949 4.313 . 0 0 "[ . 1 . 2]" 1
714 1 36 CYS H 1 42 VAL QG . . 4.920 3.701 3.391 4.191 . 0 0 "[ . 1 . 2]" 1
715 1 36 CYS HA 1 38 LYS H . . 4.860 3.543 3.277 3.839 . 0 0 "[ . 1 . 2]" 1
716 1 36 CYS HA 1 39 TYR H . . 4.750 3.973 3.515 4.360 . 0 0 "[ . 1 . 2]" 1
717 1 36 CYS HA 1 39 TYR QD . . 2.940 2.738 2.241 3.009 0.069 1 0 "[ . 1 . 2]" 1
718 1 36 CYS HA 1 39 TYR QE . . 4.060 3.849 3.190 4.149 0.089 1 0 "[ . 1 . 2]" 1
719 1 36 CYS HA 1 79 LEU MD1 . . 4.370 2.405 1.980 2.940 . 0 0 "[ . 1 . 2]" 1
720 1 36 CYS HA 1 84 PHE QE . . 5.130 4.925 4.517 5.230 0.100 17 0 "[ . 1 . 2]" 1
721 1 36 CYS HA 1 84 PHE HZ . . 4.430 4.139 3.607 4.510 0.080 15 0 "[ . 1 . 2]" 1
722 1 36 CYS QB 1 37 SER H . . 4.180 3.164 2.702 3.693 . 0 0 "[ . 1 . 2]" 1
723 1 36 CYS QB 1 38 LYS H . . 5.080 4.662 4.552 4.729 . 0 0 "[ . 1 . 2]" 1
724 1 36 CYS QB 1 42 VAL QG . . 3.610 2.079 1.910 2.334 . 0 0 "[ . 1 . 2]" 1
725 1 36 CYS QB 1 64 VAL QG . . 4.210 3.232 2.673 3.636 . 0 0 "[ . 1 . 2]" 1
726 1 36 CYS QB 1 84 PHE QE . . 3.830 3.537 2.867 3.835 0.005 15 0 "[ . 1 . 2]" 1
727 1 36 CYS QB 1 84 PHE HZ . . 3.500 3.244 2.424 3.518 0.018 14 0 "[ . 1 . 2]" 1
728 1 37 SER H 1 37 SER HB2 . . 3.560 2.297 2.011 2.608 . 0 0 "[ . 1 . 2]" 1
729 1 37 SER H 1 37 SER HB3 . . 3.350 2.839 2.251 3.437 0.087 19 0 "[ . 1 . 2]" 1
730 1 37 SER H 1 38 LYS H . . 3.470 2.737 2.365 2.950 . 0 0 "[ . 1 . 2]" 1
731 1 37 SER H 1 38 LYS HB2 . . 5.330 4.983 4.575 5.204 . 0 0 "[ . 1 . 2]" 1
732 1 37 SER H 1 38 LYS HG3 . . 5.070 4.225 3.573 4.936 . 0 0 "[ . 1 . 2]" 1
733 1 37 SER H 1 39 TYR H . . 5.090 4.462 4.089 4.928 . 0 0 "[ . 1 . 2]" 1
734 1 37 SER H 1 42 VAL QG . . 4.270 3.073 2.621 3.885 . 0 0 "[ . 1 . 2]" 1
735 1 37 SER HA 1 39 TYR H . . 4.230 3.528 3.187 3.930 . 0 0 "[ . 1 . 2]" 1
736 1 37 SER HA 1 40 GLY H . . 4.080 3.275 2.826 4.146 0.066 13 0 "[ . 1 . 2]" 1
737 1 37 SER HA 1 42 VAL H . . 4.420 3.360 2.827 3.851 . 0 0 "[ . 1 . 2]" 1
738 1 37 SER HA 1 42 VAL QG . . 3.580 2.864 2.215 3.602 0.022 9 0 "[ . 1 . 2]" 1
739 1 37 SER HB2 1 38 LYS H . . 4.750 3.971 3.377 4.556 . 0 0 "[ . 1 . 2]" 1
740 1 37 SER HB3 1 42 VAL QG . . 5.100 4.395 3.728 5.147 0.047 9 0 "[ . 1 . 2]" 1
741 1 38 LYS H 1 38 LYS HB2 . . 3.180 2.439 2.276 2.676 . 0 0 "[ . 1 . 2]" 1
742 1 38 LYS H 1 38 LYS HD2 . . 4.490 3.908 3.646 4.340 . 0 0 "[ . 1 . 2]" 1
743 1 38 LYS H 1 38 LYS HD3 . . 4.660 4.539 3.836 4.726 0.066 20 0 "[ . 1 . 2]" 1
744 1 38 LYS H 1 38 LYS QE . . 4.940 4.609 4.051 5.011 0.071 16 0 "[ . 1 . 2]" 1
745 1 38 LYS H 1 38 LYS HG2 . . 4.000 3.465 2.911 3.970 . 0 0 "[ . 1 . 2]" 1
746 1 38 LYS H 1 38 LYS HG3 . . 3.610 2.262 2.026 2.651 . 0 0 "[ . 1 . 2]" 1
747 1 38 LYS H 1 39 TYR H . . 3.140 2.765 2.578 2.863 . 0 0 "[ . 1 . 2]" 1
748 1 38 LYS HA 1 38 LYS HD3 . . 5.320 4.395 4.157 4.700 . 0 0 "[ . 1 . 2]" 1
749 1 38 LYS HA 1 38 LYS HG2 . . 3.760 2.492 2.260 2.744 . 0 0 "[ . 1 . 2]" 1
750 1 38 LYS HA 1 38 LYS HG3 . . 3.730 2.972 2.651 3.309 . 0 0 "[ . 1 . 2]" 1
751 1 38 LYS HA 1 39 TYR QD . . 4.760 4.695 4.436 4.836 0.076 12 0 "[ . 1 . 2]" 1
752 1 38 LYS HB2 1 38 LYS QE . . 4.770 4.051 3.153 4.243 . 0 0 "[ . 1 . 2]" 1
753 1 38 LYS HB2 1 39 TYR H . . 3.990 3.281 2.735 3.520 . 0 0 "[ . 1 . 2]" 1
754 1 38 LYS HB2 1 39 TYR QE . . 5.160 2.548 2.329 3.018 . 0 0 "[ . 1 . 2]" 1
755 1 38 LYS HB2 1 40 GLY H . . 5.500 5.381 5.053 5.522 0.022 18 0 "[ . 1 . 2]" 1
756 1 38 LYS HD2 1 39 TYR QE . . 5.500 3.632 2.780 5.469 . 0 0 "[ . 1 . 2]" 1
757 1 38 LYS QE 1 38 LYS HG2 . . 3.290 2.529 2.055 3.090 . 0 0 "[ . 1 . 2]" 1
758 1 38 LYS HG2 1 39 TYR H . . 5.170 5.208 4.987 5.351 0.181 7 0 "[ . 1 . 2]" 1
759 1 38 LYS HG3 1 39 TYR H . . 5.500 4.638 4.339 4.848 . 0 0 "[ . 1 . 2]" 1
760 1 39 TYR H 1 39 TYR HB2 . . 3.580 2.545 2.298 2.738 . 0 0 "[ . 1 . 2]" 1
761 1 39 TYR H 1 39 TYR HB3 . . 3.920 3.706 3.539 3.822 . 0 0 "[ . 1 . 2]" 1
762 1 39 TYR H 1 39 TYR QD . . 3.420 2.475 2.121 2.748 . 0 0 "[ . 1 . 2]" 1
763 1 39 TYR H 1 39 TYR QE . . 4.780 4.471 4.211 4.733 . 0 0 "[ . 1 . 2]" 1
764 1 39 TYR H 1 40 GLY H . . 3.120 2.320 2.003 2.748 . 0 0 "[ . 1 . 2]" 1
765 1 39 TYR H 1 40 GLY HA3 . . 5.020 4.674 4.411 4.917 . 0 0 "[ . 1 . 2]" 1
766 1 39 TYR H 1 75 ALA MB . . 5.500 4.393 4.104 4.729 . 0 0 "[ . 1 . 2]" 1
767 1 39 TYR HA 1 39 TYR QD . . 3.440 3.025 2.819 3.254 . 0 0 "[ . 1 . 2]" 1
768 1 39 TYR HA 1 40 GLY HA2 . . 5.090 4.727 4.218 4.993 . 0 0 "[ . 1 . 2]" 1
769 1 39 TYR HA 1 74 LYS HB2 . . 4.960 4.163 3.741 4.624 . 0 0 "[ . 1 . 2]" 1
770 1 39 TYR HA 1 74 LYS HB3 . . 4.730 4.559 4.017 4.804 0.074 19 0 "[ . 1 . 2]" 1
771 1 39 TYR HB2 1 40 GLY H . . 4.120 3.636 3.297 4.202 0.082 13 0 "[ . 1 . 2]" 1
772 1 39 TYR HB2 1 74 LYS HB2 . . 5.300 4.200 3.148 4.745 . 0 0 "[ . 1 . 2]" 1
773 1 39 TYR HB2 1 75 ALA MB . . 4.410 2.355 2.222 2.552 . 0 0 "[ . 1 . 2]" 1
774 1 39 TYR HB3 1 40 GLY H . . 4.590 4.348 4.117 4.494 . 0 0 "[ . 1 . 2]" 1
775 1 39 TYR HB3 1 74 LYS HB2 . . 3.990 2.701 2.188 3.230 . 0 0 "[ . 1 . 2]" 1
776 1 39 TYR HB3 1 74 LYS HB3 . . 4.170 3.532 2.565 4.144 . 0 0 "[ . 1 . 2]" 1
777 1 39 TYR HB3 1 75 ALA H . . 4.440 3.128 2.705 3.438 . 0 0 "[ . 1 . 2]" 1
778 1 39 TYR HB3 1 75 ALA HA . . 4.600 2.788 2.368 3.449 . 0 0 "[ . 1 . 2]" 1
779 1 39 TYR HB3 1 75 ALA MB . . 3.910 2.837 2.407 3.753 . 0 0 "[ . 1 . 2]" 1
780 1 39 TYR QD 1 74 LYS HA . . 5.200 4.725 4.255 5.060 . 0 0 "[ . 1 . 2]" 1
781 1 39 TYR QD 1 74 LYS HB2 . . 3.990 3.706 2.939 4.077 0.087 18 0 "[ . 1 . 2]" 1
782 1 39 TYR QD 1 74 LYS HB3 . . 3.620 3.368 2.840 3.706 0.086 2 0 "[ . 1 . 2]" 1
783 1 39 TYR QD 1 75 ALA H . . 5.020 4.321 3.864 4.758 . 0 0 "[ . 1 . 2]" 1
784 1 39 TYR QD 1 75 ALA HA . . 4.100 2.955 2.740 3.138 . 0 0 "[ . 1 . 2]" 1
785 1 39 TYR QD 1 75 ALA MB . . 3.660 3.513 2.963 3.732 0.072 20 0 "[ . 1 . 2]" 1
786 1 39 TYR QE 1 75 ALA HA . . 4.170 4.178 3.797 4.257 0.087 18 0 "[ . 1 . 2]" 1
787 1 39 TYR QE 1 78 GLY H . . 5.160 4.589 4.084 5.140 . 0 0 "[ . 1 . 2]" 1
788 1 39 TYR QE 1 78 GLY HA2 . . 3.860 3.537 3.010 3.929 0.069 18 0 "[ . 1 . 2]" 1
789 1 39 TYR QE 1 78 GLY HA3 . . 3.860 2.620 2.233 3.393 . 0 0 "[ . 1 . 2]" 1
790 1 39 TYR QE 1 79 LEU H . . 5.340 4.957 4.694 5.390 0.050 3 0 "[ . 1 . 2]" 1
791 1 39 TYR QE 1 79 LEU MD1 . . 4.300 2.792 2.270 3.560 . 0 0 "[ . 1 . 2]" 1
792 1 39 TYR QE 1 79 LEU MD2 . . 3.870 2.190 2.047 2.361 . 0 0 "[ . 1 . 2]" 1
793 1 39 TYR QE 1 79 LEU HG . . 3.580 3.188 2.497 3.520 . 0 0 "[ . 1 . 2]" 1
794 1 40 GLY H 1 41 LEU H . . 4.570 4.223 4.004 4.386 . 0 0 "[ . 1 . 2]" 1
795 1 40 GLY H 1 75 ALA MB . . 5.500 5.011 4.732 5.569 0.069 13 0 "[ . 1 . 2]" 1
796 1 40 GLY HA2 1 41 LEU H . . 3.160 2.950 2.600 3.289 0.129 13 0 "[ . 1 . 2]" 1
797 1 40 GLY HA2 1 41 LEU QB . . 4.570 4.016 3.725 4.161 . 0 0 "[ . 1 . 2]" 1
798 1 40 GLY HA2 1 66 PHE QD . . 5.450 4.926 4.409 5.508 0.058 12 0 "[ . 1 . 2]" 1
799 1 40 GLY HA2 1 71 ASP HB3 . . 4.290 3.701 3.227 4.304 0.014 10 0 "[ . 1 . 2]" 1
800 1 40 GLY HA3 1 41 LEU H . . 3.240 2.315 2.120 2.505 . 0 0 "[ . 1 . 2]" 1
801 1 40 GLY HA3 1 41 LEU QB . . 4.650 4.242 3.994 4.379 . 0 0 "[ . 1 . 2]" 1
802 1 40 GLY HA3 1 71 ASP HB2 . . 4.820 3.566 2.161 4.454 . 0 0 "[ . 1 . 2]" 1
803 1 40 GLY HA3 1 71 ASP HB3 . . 4.220 2.509 2.028 3.888 . 0 0 "[ . 1 . 2]" 1
804 1 41 LEU H 1 41 LEU QB . . 2.870 2.433 2.177 2.697 . 0 0 "[ . 1 . 2]" 1
805 1 41 LEU H 1 41 LEU MD1 . . 4.430 4.157 3.881 4.372 . 0 0 "[ . 1 . 2]" 1
806 1 41 LEU H 1 41 LEU MD2 . . 4.310 4.298 4.076 4.494 0.184 13 0 "[ . 1 . 2]" 1
807 1 41 LEU H 1 66 PHE QD . . 4.800 2.980 2.090 3.732 . 0 0 "[ . 1 . 2]" 1
808 1 41 LEU H 1 67 THR H . . 5.500 3.714 3.139 4.416 . 0 0 "[ . 1 . 2]" 1
809 1 41 LEU H 1 67 THR MG . . 5.050 3.837 2.924 4.981 . 0 0 "[ . 1 . 2]" 1
810 1 41 LEU H 1 71 ASP HB3 . . 4.610 3.344 2.735 4.432 . 0 0 "[ . 1 . 2]" 1
811 1 41 LEU HA 1 41 LEU MD1 . . 3.290 3.000 1.996 3.526 0.236 18 0 "[ . 1 . 2]" 1
812 1 41 LEU HA 1 41 LEU MD2 . . 3.540 2.380 2.014 3.649 0.109 11 0 "[ . 1 . 2]" 1
813 1 41 LEU HA 1 41 LEU HG . . 4.130 3.643 3.068 3.863 . 0 0 "[ . 1 . 2]" 1
814 1 41 LEU HA 1 42 VAL H . . 2.740 2.048 1.966 2.214 . 0 0 "[ . 1 . 2]" 1
815 1 41 LEU HA 1 42 VAL HA . . 5.130 4.440 4.384 4.493 . 0 0 "[ . 1 . 2]" 1
816 1 41 LEU HA 1 42 VAL HB . . 4.820 4.571 4.202 4.890 0.070 9 0 "[ . 1 . 2]" 1
817 1 41 LEU HA 1 42 VAL QG . . 4.020 3.594 3.320 3.960 . 0 0 "[ . 1 . 2]" 1
818 1 41 LEU QB 1 41 LEU MD1 . . 3.150 2.374 2.241 2.622 . 0 0 "[ . 1 . 2]" 1
819 1 41 LEU QB 1 41 LEU MD2 . . 3.000 2.327 2.021 2.508 . 0 0 "[ . 1 . 2]" 1
820 1 41 LEU QB 1 42 VAL H . . 4.270 3.803 3.647 3.882 . 0 0 "[ . 1 . 2]" 1
821 1 41 LEU QB 1 67 THR H . . 4.990 3.466 2.996 3.932 . 0 0 "[ . 1 . 2]" 1
822 1 41 LEU QB 1 67 THR MG . . 3.140 2.193 1.891 3.140 . 0 0 "[ . 1 . 2]" 1
823 1 41 LEU MD1 1 42 VAL H . . 3.560 2.915 1.910 3.552 . 0 0 "[ . 1 . 2]" 1
824 1 41 LEU MD1 1 42 VAL HA . . 5.480 3.864 3.633 4.372 . 0 0 "[ . 1 . 2]" 1
825 1 41 LEU MD1 1 43 LYS HA . . 4.930 2.970 2.253 4.521 . 0 0 "[ . 1 . 2]" 1
826 1 41 LEU MD1 1 66 PHE QD . . 5.500 5.013 4.537 5.594 0.094 8 0 "[ . 1 . 2]" 1
827 1 41 LEU MD2 1 42 VAL H . . 4.250 2.895 2.049 4.370 0.120 8 0 "[ . 1 . 2]" 1
828 1 41 LEU MD2 1 43 LYS HA . . 5.060 4.699 3.874 5.154 0.094 20 0 "[ . 1 . 2]" 1
829 1 41 LEU MD2 1 67 THR MG . . 3.720 3.661 2.046 4.130 0.410 2 0 "[ . 1 . 2]" 1
830 1 41 LEU HG 1 42 VAL H . . 4.930 4.664 3.122 5.011 0.081 19 0 "[ . 1 . 2]" 1
831 1 41 LEU HG 1 67 THR MG . . 3.200 2.869 2.190 3.292 0.092 2 0 "[ . 1 . 2]" 1
832 1 42 VAL H 1 42 VAL HB . . 3.120 2.646 2.188 3.170 0.050 8 0 "[ . 1 . 2]" 1
833 1 42 VAL H 1 42 VAL QG . . 3.230 2.207 1.831 2.634 . 0 0 "[ . 1 . 2]" 1
834 1 42 VAL H 1 43 LYS H . . 4.730 4.347 4.166 4.477 . 0 0 "[ . 1 . 2]" 1
835 1 42 VAL H 1 66 PHE HA . . 4.910 4.817 4.640 4.988 0.078 7 0 "[ . 1 . 2]" 1
836 1 42 VAL H 1 67 THR MG . . 5.500 4.971 4.329 5.578 0.078 18 0 "[ . 1 . 2]" 1
837 1 42 VAL HA 1 42 VAL QG . . 3.190 2.264 2.106 2.440 . 0 0 "[ . 1 . 2]" 1
838 1 42 VAL HA 1 43 LYS H . . 3.040 2.087 1.959 2.163 . 0 0 "[ . 1 . 2]" 1
839 1 42 VAL HA 1 43 LYS HA . . 4.890 4.450 4.342 4.556 . 0 0 "[ . 1 . 2]" 1
840 1 42 VAL HA 1 43 LYS QB . . 4.710 3.935 3.731 4.125 . 0 0 "[ . 1 . 2]" 1
841 1 42 VAL HA 1 44 SER H . . 4.220 4.101 3.708 4.292 0.072 20 0 "[ . 1 . 2]" 1
842 1 42 VAL HA 1 64 VAL QG . . 4.450 3.577 3.191 3.807 . 0 0 "[ . 1 . 2]" 1
843 1 42 VAL HA 1 66 PHE HA . . 3.430 2.494 2.164 3.011 . 0 0 "[ . 1 . 2]" 1
844 1 42 VAL HA 1 66 PHE QD . . 5.080 3.223 2.710 3.879 . 0 0 "[ . 1 . 2]" 1
845 1 42 VAL HA 1 67 THR H . . 4.950 4.347 3.878 5.000 0.050 7 0 "[ . 1 . 2]" 1
846 1 42 VAL HA 1 67 THR MG . . 5.450 4.817 4.040 5.263 . 0 0 "[ . 1 . 2]" 1
847 1 42 VAL HB 1 43 LYS H . . 5.320 4.209 3.832 4.423 . 0 0 "[ . 1 . 2]" 1
848 1 42 VAL HB 1 66 PHE QD . . 5.160 4.858 3.915 5.268 0.108 15 0 "[ . 1 . 2]" 1
849 1 42 VAL QG 1 43 LYS H . . 3.610 2.892 2.366 3.254 . 0 0 "[ . 1 . 2]" 1
850 1 42 VAL QG 1 43 LYS HA . . 4.870 4.134 3.837 4.308 . 0 0 "[ . 1 . 2]" 1
851 1 42 VAL QG 1 44 SER H . . 3.610 2.869 2.491 3.351 . 0 0 "[ . 1 . 2]" 1
852 1 42 VAL QG 1 44 SER HA . . 4.390 3.228 2.509 3.867 . 0 0 "[ . 1 . 2]" 1
853 1 42 VAL QG 1 45 ILE H . . 4.940 4.309 3.948 4.800 . 0 0 "[ . 1 . 2]" 1
854 1 42 VAL QG 1 45 ILE MD . . 3.720 2.334 2.051 2.806 . 0 0 "[ . 1 . 2]" 1
855 1 42 VAL QG 1 45 ILE HG12 . . 3.970 2.946 2.375 3.637 . 0 0 "[ . 1 . 2]" 1
856 1 42 VAL QG 1 45 ILE HG13 . . 5.090 2.411 2.147 2.868 . 0 0 "[ . 1 . 2]" 1
857 1 42 VAL QG 1 64 VAL HA . . 4.770 3.848 3.565 4.249 . 0 0 "[ . 1 . 2]" 1
858 1 42 VAL QG 1 64 VAL QG . . 3.130 1.969 1.821 2.217 . 0 0 "[ . 1 . 2]" 1
859 1 42 VAL QG 1 65 GLU H . . 4.890 3.153 2.535 3.703 . 0 0 "[ . 1 . 2]" 1
860 1 42 VAL QG 1 66 PHE HA . . 4.510 3.837 3.370 4.351 . 0 0 "[ . 1 . 2]" 1
861 1 43 LYS H 1 43 LYS QB . . 3.470 2.199 2.126 2.292 . 0 0 "[ . 1 . 2]" 1
862 1 43 LYS H 1 43 LYS HD2 . . 5.200 4.716 4.235 5.771 0.571 17 1 "[ . 1 . + 2]" 1
863 1 43 LYS H 1 43 LYS QG . . 4.120 3.987 3.917 4.072 . 0 0 "[ . 1 . 2]" 1
864 1 43 LYS H 1 44 SER H . . 3.200 2.669 2.240 2.890 . 0 0 "[ . 1 . 2]" 1
865 1 43 LYS H 1 64 VAL QG . . 5.500 4.209 3.706 4.601 . 0 0 "[ . 1 . 2]" 1
866 1 43 LYS H 1 65 GLU HB3 . . 4.750 4.064 3.370 4.707 . 0 0 "[ . 1 . 2]" 1
867 1 43 LYS H 1 66 PHE HA . . 3.350 2.222 1.853 2.524 . 0 0 "[ . 1 . 2]" 1
868 1 43 LYS H 1 67 THR MG . . 4.510 4.293 3.710 4.619 0.109 11 0 "[ . 1 . 2]" 1
869 1 43 LYS HA 1 43 LYS QG . . 2.870 2.562 2.189 2.954 0.084 2 0 "[ . 1 . 2]" 1
870 1 43 LYS QB 1 43 LYS QE . . 4.410 3.291 1.984 3.786 . 0 0 "[ . 1 . 2]" 1
871 1 43 LYS QB 1 44 SER H . . 3.620 2.242 1.947 2.364 . 0 0 "[ . 1 . 2]" 1
872 1 43 LYS QB 1 65 GLU HA . . 4.810 4.248 4.106 4.440 . 0 0 "[ . 1 . 2]" 1
873 1 43 LYS QB 1 65 GLU HB3 . . 5.280 2.530 2.053 3.147 . 0 0 "[ . 1 . 2]" 1
874 1 43 LYS QB 1 65 GLU HG2 . . 4.160 2.476 2.015 4.221 0.061 3 0 "[ . 1 . 2]" 1
875 1 43 LYS QB 1 66 PHE HA . . 4.360 2.977 2.715 3.264 . 0 0 "[ . 1 . 2]" 1
876 1 43 LYS QB 1 67 THR H . . 5.410 3.789 3.370 4.440 . 0 0 "[ . 1 . 2]" 1
877 1 43 LYS HD2 1 67 THR HA . . 4.050 3.645 2.739 4.562 0.512 17 1 "[ . 1 . + 2]" 1
878 1 43 LYS HD3 1 65 GLU HG2 . . 5.010 3.930 2.196 5.083 0.073 10 0 "[ . 1 . 2]" 1
879 1 43 LYS HD3 1 67 THR HA . . 4.490 4.136 2.958 4.573 0.083 1 0 "[ . 1 . 2]" 1
880 1 43 LYS QE 1 43 LYS QG . . 2.940 2.333 2.061 2.887 . 0 0 "[ . 1 . 2]" 1
881 1 43 LYS QE 1 67 THR MG . . 4.590 4.248 2.878 4.691 0.101 14 0 "[ . 1 . 2]" 1
882 1 43 LYS QG 1 44 SER H . . 4.610 3.526 2.920 3.944 . 0 0 "[ . 1 . 2]" 1
883 1 43 LYS QG 1 66 PHE HA . . 5.460 5.097 4.789 5.429 . 0 0 "[ . 1 . 2]" 1
884 1 44 SER H 1 45 ILE H . . 4.770 4.385 4.306 4.467 . 0 0 "[ . 1 . 2]" 1
885 1 44 SER H 1 64 VAL HA . . 4.970 4.640 4.450 4.904 . 0 0 "[ . 1 . 2]" 1
886 1 44 SER H 1 64 VAL QG . . 5.330 3.979 3.727 4.396 . 0 0 "[ . 1 . 2]" 1
887 1 44 SER H 1 65 GLU H . . 3.870 2.868 2.723 3.058 . 0 0 "[ . 1 . 2]" 1
888 1 44 SER H 1 65 GLU HB2 . . 4.600 4.090 3.423 4.661 0.061 16 0 "[ . 1 . 2]" 1
889 1 44 SER H 1 65 GLU HB3 . . 3.540 2.486 1.952 3.007 . 0 0 "[ . 1 . 2]" 1
890 1 44 SER H 1 65 GLU HG3 . . 5.100 4.936 4.043 5.178 0.078 14 0 "[ . 1 . 2]" 1
891 1 44 SER H 1 66 PHE HA . . 4.690 4.495 4.133 4.766 0.076 9 0 "[ . 1 . 2]" 1
892 1 44 SER HA 1 45 ILE H . . 2.940 2.511 2.266 2.735 . 0 0 "[ . 1 . 2]" 1
893 1 44 SER HA 1 45 ILE HB . . 4.510 4.487 4.151 4.590 0.080 12 0 "[ . 1 . 2]" 1
894 1 44 SER QB 1 45 ILE H . . 3.610 2.553 2.211 3.178 . 0 0 "[ . 1 . 2]" 1
895 1 45 ILE H 1 45 ILE HB . . 3.490 2.723 2.512 2.855 . 0 0 "[ . 1 . 2]" 1
896 1 45 ILE H 1 45 ILE MD . . 4.980 3.722 2.739 4.253 . 0 0 "[ . 1 . 2]" 1
897 1 45 ILE H 1 45 ILE HG12 . . 4.630 4.421 4.157 4.670 0.040 4 0 "[ . 1 . 2]" 1
898 1 45 ILE H 1 45 ILE HG13 . . 5.290 3.230 2.996 3.660 . 0 0 "[ . 1 . 2]" 1
899 1 45 ILE H 1 45 ILE MG . . 3.820 3.881 3.803 3.920 0.100 5 0 "[ . 1 . 2]" 1
900 1 45 ILE H 1 46 GLU H . . 4.760 4.134 3.598 4.372 . 0 0 "[ . 1 . 2]" 1
901 1 45 ILE H 1 46 GLU HA . . 4.780 4.580 4.090 4.806 0.026 14 0 "[ . 1 . 2]" 1
902 1 45 ILE H 1 64 VAL HA . . 5.460 4.837 4.601 5.044 . 0 0 "[ . 1 . 2]" 1
903 1 45 ILE HA 1 45 ILE MD . . 4.520 3.895 3.615 3.987 . 0 0 "[ . 1 . 2]" 1
904 1 45 ILE HA 1 45 ILE HG12 . . 4.120 2.939 2.627 3.541 . 0 0 "[ . 1 . 2]" 1
905 1 45 ILE HA 1 45 ILE MG . . 3.580 2.401 2.217 2.503 . 0 0 "[ . 1 . 2]" 1
906 1 45 ILE HA 1 46 GLU H . . 3.020 2.151 1.962 2.389 . 0 0 "[ . 1 . 2]" 1
907 1 45 ILE HA 1 62 ILE MG . . 5.110 3.899 3.177 4.628 . 0 0 "[ . 1 . 2]" 1
908 1 45 ILE HA 1 63 PHE H . . 5.140 4.755 4.334 4.990 . 0 0 "[ . 1 . 2]" 1
909 1 45 ILE HA 1 63 PHE HB2 . . 5.320 5.028 4.602 5.279 . 0 0 "[ . 1 . 2]" 1
910 1 45 ILE HA 1 64 VAL HA . . 3.400 2.263 2.057 2.638 . 0 0 "[ . 1 . 2]" 1
911 1 45 ILE HA 1 64 VAL HB . . 5.040 4.172 3.302 5.125 0.085 15 0 "[ . 1 . 2]" 1
912 1 45 ILE HA 1 64 VAL QG . . 4.170 3.100 2.799 3.778 . 0 0 "[ . 1 . 2]" 1
913 1 45 ILE HA 1 65 GLU H . . 3.710 3.574 3.112 3.785 0.075 10 0 "[ . 1 . 2]" 1
914 1 45 ILE HA 1 99 TYR QE . . 5.230 4.154 3.613 4.712 . 0 0 "[ . 1 . 2]" 1
915 1 45 ILE HB 1 46 GLU H . . 4.330 4.083 3.766 4.400 0.070 8 0 "[ . 1 . 2]" 1
916 1 45 ILE HB 1 46 GLU HA . . 5.260 4.935 4.671 5.190 . 0 0 "[ . 1 . 2]" 1
917 1 45 ILE MD 1 64 VAL HA . . 5.500 4.807 4.273 5.252 . 0 0 "[ . 1 . 2]" 1
918 1 45 ILE MD 1 64 VAL QG . . 4.710 3.147 2.570 3.566 . 0 0 "[ . 1 . 2]" 1
919 1 45 ILE HG12 1 46 GLU H . . 4.700 4.586 4.277 4.823 0.123 1 0 "[ . 1 . 2]" 1
920 1 45 ILE HG12 1 64 VAL HA . . 4.970 3.540 2.612 4.429 . 0 0 "[ . 1 . 2]" 1
921 1 45 ILE HG12 1 64 VAL QG . . 4.360 2.253 1.910 3.354 . 0 0 "[ . 1 . 2]" 1
922 1 45 ILE HG13 1 46 GLU H . . 4.740 4.756 4.446 4.827 0.087 18 0 "[ . 1 . 2]" 1
923 1 45 ILE HG13 1 64 VAL HA . . 4.650 3.696 2.914 4.156 . 0 0 "[ . 1 . 2]" 1
924 1 45 ILE HG13 1 64 VAL QG . . 4.560 2.588 2.103 3.098 . 0 0 "[ . 1 . 2]" 1
925 1 45 ILE MG 1 46 GLU H . . 3.580 2.607 2.191 3.436 . 0 0 "[ . 1 . 2]" 1
926 1 45 ILE MG 1 46 GLU HA . . 4.190 3.907 3.564 4.286 0.096 8 0 "[ . 1 . 2]" 1
927 1 45 ILE MG 1 47 ILE H . . 4.350 4.201 3.965 4.432 0.082 3 0 "[ . 1 . 2]" 1
928 1 45 ILE MG 1 63 PHE H . . 4.870 3.826 3.193 4.384 . 0 0 "[ . 1 . 2]" 1
929 1 45 ILE MG 1 64 VAL HA . . 4.340 3.404 2.875 4.155 . 0 0 "[ . 1 . 2]" 1
930 1 45 ILE MG 1 64 VAL HB . . 4.300 3.708 2.879 4.422 0.122 16 0 "[ . 1 . 2]" 1
931 1 46 GLU H 1 46 GLU HG2 . . 4.870 4.629 3.610 4.934 0.064 7 0 "[ . 1 . 2]" 1
932 1 46 GLU H 1 46 GLU HG3 . . 4.990 4.645 4.387 5.057 0.067 11 0 "[ . 1 . 2]" 1
933 1 46 GLU H 1 47 ILE H . . 4.750 4.342 4.166 4.566 . 0 0 "[ . 1 . 2]" 1
934 1 46 GLU H 1 62 ILE MG . . 5.500 3.226 2.830 3.868 . 0 0 "[ . 1 . 2]" 1
935 1 46 GLU H 1 63 PHE H . . 4.340 3.087 2.815 3.296 . 0 0 "[ . 1 . 2]" 1
936 1 46 GLU H 1 63 PHE HB2 . . 4.400 3.552 3.324 3.752 . 0 0 "[ . 1 . 2]" 1
937 1 46 GLU H 1 63 PHE HB3 . . 5.020 4.868 4.478 5.076 0.056 1 0 "[ . 1 . 2]" 1
938 1 46 GLU H 1 64 VAL HA . . 4.230 3.415 3.158 3.715 . 0 0 "[ . 1 . 2]" 1
939 1 46 GLU H 1 99 TYR QE . . 4.040 3.585 2.560 4.116 0.076 1 0 "[ . 1 . 2]" 1
940 1 46 GLU HA 1 46 GLU HG2 . . 4.120 3.366 2.658 3.939 . 0 0 "[ . 1 . 2]" 1
941 1 46 GLU HA 1 47 ILE H . . 2.880 2.160 2.088 2.239 . 0 0 "[ . 1 . 2]" 1
942 1 46 GLU HA 1 63 PHE HB2 . . 5.130 5.082 4.792 5.192 0.062 17 0 "[ . 1 . 2]" 1
943 1 46 GLU HB2 1 47 ILE H . . 4.580 4.468 4.335 4.643 0.063 6 0 "[ . 1 . 2]" 1
944 1 46 GLU HB2 1 63 PHE HB2 . . 4.210 3.168 2.238 3.862 . 0 0 "[ . 1 . 2]" 1
945 1 46 GLU HB2 1 63 PHE HB3 . . 5.210 4.695 3.928 5.278 0.068 12 0 "[ . 1 . 2]" 1
946 1 46 GLU HB2 1 63 PHE QD . . 5.500 4.076 2.817 5.217 . 0 0 "[ . 1 . 2]" 1
947 1 46 GLU HB2 1 99 TYR QE . . 4.250 2.883 2.115 3.661 . 0 0 "[ . 1 . 2]" 1
948 1 46 GLU HB2 1 104 PHE QE . . 5.330 5.134 4.558 5.567 0.237 3 0 "[ . 1 . 2]" 1
949 1 46 GLU HB3 1 63 PHE HB2 . . 4.510 2.461 2.125 3.436 . 0 0 "[ . 1 . 2]" 1
950 1 46 GLU HB3 1 63 PHE HB3 . . 5.040 4.170 3.534 5.096 0.056 15 0 "[ . 1 . 2]" 1
951 1 46 GLU HB3 1 63 PHE QD . . 4.610 2.631 2.210 3.696 . 0 0 "[ . 1 . 2]" 1
952 1 46 GLU HB3 1 99 TYR QE . . 4.290 3.480 2.147 4.366 0.076 5 0 "[ . 1 . 2]" 1
953 1 46 GLU HG2 1 47 ILE H . . 5.260 4.709 4.009 5.036 . 0 0 "[ . 1 . 2]" 1
954 1 46 GLU HG2 1 63 PHE HB2 . . 5.010 4.269 3.334 5.071 0.061 11 0 "[ . 1 . 2]" 1
955 1 46 GLU HG2 1 99 TYR HA . . 5.380 4.841 3.544 6.144 0.764 10 1 "[ . + . 2]" 1
956 1 46 GLU HG2 1 99 TYR QE . . 4.360 4.106 2.916 4.469 0.109 16 0 "[ . 1 . 2]" 1
957 1 46 GLU HG3 1 47 ILE H . . 5.500 3.962 3.310 5.152 . 0 0 "[ . 1 . 2]" 1
958 1 46 GLU HG3 1 63 PHE HB2 . . 5.320 4.262 3.452 5.116 . 0 0 "[ . 1 . 2]" 1
959 1 46 GLU HG3 1 104 PHE QE . . 4.960 3.721 3.232 4.461 . 0 0 "[ . 1 . 2]" 1
960 1 46 GLU HG3 1 104 PHE HZ . . 4.230 3.429 2.487 4.288 0.058 8 0 "[ . 1 . 2]" 1
961 1 47 ILE H 1 47 ILE HB . . 3.700 2.803 2.640 3.041 . 0 0 "[ . 1 . 2]" 1
962 1 47 ILE H 1 47 ILE MD . . 4.580 4.105 2.356 4.447 . 0 0 "[ . 1 . 2]" 1
963 1 47 ILE H 1 47 ILE HG12 . . 4.160 3.729 3.445 4.355 0.195 1 0 "[ . 1 . 2]" 1
964 1 47 ILE H 1 47 ILE MG . . 4.620 3.937 3.865 4.057 . 0 0 "[ . 1 . 2]" 1
965 1 47 ILE H 1 48 PRO HD2 . . 5.500 4.348 4.056 4.549 . 0 0 "[ . 1 . 2]" 1
966 1 47 ILE H 1 48 PRO HD3 . . 4.900 3.693 3.298 3.985 . 0 0 "[ . 1 . 2]" 1
967 1 47 ILE HA 1 47 ILE MD . . 3.990 3.847 3.562 3.914 . 0 0 "[ . 1 . 2]" 1
968 1 47 ILE HA 1 47 ILE HG12 . . 4.100 2.684 2.578 3.717 . 0 0 "[ . 1 . 2]" 1
969 1 47 ILE HA 1 47 ILE MG . . 2.980 2.343 2.278 2.453 . 0 0 "[ . 1 . 2]" 1
970 1 47 ILE HA 1 48 PRO HD2 . . 3.350 2.116 2.029 2.225 . 0 0 "[ . 1 . 2]" 1
971 1 47 ILE HA 1 48 PRO HD3 . . 3.390 2.795 2.561 3.102 . 0 0 "[ . 1 . 2]" 1
972 1 47 ILE HA 1 48 PRO HG2 . . 4.580 4.296 4.048 4.459 . 0 0 "[ . 1 . 2]" 1
973 1 47 ILE HA 1 48 PRO HG3 . . 4.510 4.654 4.640 4.666 0.156 8 0 "[ . 1 . 2]" 1
974 1 47 ILE HA 1 62 ILE HA . . 3.930 3.133 2.888 3.500 . 0 0 "[ . 1 . 2]" 1
975 1 47 ILE HA 1 62 ILE MD . . 3.950 3.944 3.125 4.056 0.106 8 0 "[ . 1 . 2]" 1
976 1 47 ILE HA 1 62 ILE HG12 . . 4.020 3.320 2.665 4.809 0.789 13 4 "[ . * *1 + - 2]" 1
977 1 47 ILE HA 1 62 ILE MG . . 4.210 3.752 3.566 3.985 . 0 0 "[ . 1 . 2]" 1
978 1 47 ILE HA 1 63 PHE H . . 4.580 4.168 3.796 4.397 . 0 0 "[ . 1 . 2]" 1
979 1 47 ILE HA 1 63 PHE QD . . 5.220 4.546 3.963 5.227 0.007 17 0 "[ . 1 . 2]" 1
980 1 47 ILE HB 1 47 ILE MD . . 3.730 2.478 2.235 2.583 . 0 0 "[ . 1 . 2]" 1
981 1 47 ILE MD 1 47 ILE MG . . 3.310 2.121 2.048 3.176 . 0 0 "[ . 1 . 2]" 1
982 1 47 ILE MD 1 62 ILE HA . . 4.750 4.828 4.508 4.859 0.109 2 0 "[ . 1 . 2]" 1
983 1 47 ILE MG 1 48 PRO HD2 . . 4.990 3.410 3.246 3.664 . 0 0 "[ . 1 . 2]" 1
984 1 47 ILE MG 1 48 PRO HD3 . . 4.780 4.417 4.190 4.623 . 0 0 "[ . 1 . 2]" 1
985 1 47 ILE MG 1 62 ILE HA . . 4.390 3.942 3.733 4.132 . 0 0 "[ . 1 . 2]" 1
986 1 47 ILE MG 1 63 PHE H . . 5.500 5.338 5.093 5.573 0.073 10 0 "[ . 1 . 2]" 1
987 1 48 PRO HD2 1 61 LYS H . . 5.500 4.503 3.593 5.493 . 0 0 "[ . 1 . 2]" 1
988 1 48 PRO HD2 1 63 PHE H . . 5.500 4.690 3.953 5.255 . 0 0 "[ . 1 . 2]" 1
989 1 48 PRO HD2 1 63 PHE QD . . 5.020 4.057 3.286 4.844 . 0 0 "[ . 1 . 2]" 1
990 1 48 PRO HD2 1 63 PHE QE . . 5.310 3.763 2.894 4.622 . 0 0 "[ . 1 . 2]" 1
991 1 48 PRO HD3 1 63 PHE H . . 5.470 4.545 4.166 5.105 . 0 0 "[ . 1 . 2]" 1
992 1 48 PRO HD3 1 63 PHE QD . . 4.450 3.332 2.777 3.883 . 0 0 "[ . 1 . 2]" 1
993 1 48 PRO HD3 1 63 PHE QE . . 4.920 3.440 2.425 4.264 . 0 0 "[ . 1 . 2]" 1
994 1 48 PRO HG2 1 104 PHE QD . . 5.260 4.741 3.927 5.385 0.125 4 0 "[ . 1 . 2]" 1
995 1 48 PRO HG3 1 49 ARG H . . 5.500 5.574 4.454 5.856 0.356 20 0 "[ . 1 . 2]" 1
996 1 48 PRO HG3 1 104 PHE QD . . 5.290 3.392 2.531 4.099 . 0 0 "[ . 1 . 2]" 1
997 1 49 ARG H 1 49 ARG HB3 . . 3.450 3.442 2.848 3.818 0.368 19 0 "[ . 1 . 2]" 1
998 1 49 ARG H 1 49 ARG HD2 . . 5.490 3.940 2.320 4.715 . 0 0 "[ . 1 . 2]" 1
999 1 49 ARG H 1 49 ARG HD3 . . 4.630 3.319 1.983 5.028 0.398 13 0 "[ . 1 . 2]" 1
1000 1 49 ARG H 1 49 ARG HG2 . . 3.890 3.321 2.033 4.468 0.578 12 3 "[ -. 1 + . * 2]" 1
1001 1 49 ARG H 1 49 ARG HG3 . . 4.430 3.415 2.598 4.250 . 0 0 "[ . 1 . 2]" 1
1002 1 49 ARG H 1 50 PRO HD2 . . 5.340 4.845 4.673 5.018 . 0 0 "[ . 1 . 2]" 1
1003 1 49 ARG H 1 50 PRO HD3 . . 5.500 5.149 4.734 5.400 . 0 0 "[ . 1 . 2]" 1
1004 1 49 ARG HA 1 49 ARG HD2 . . 5.090 4.376 3.530 4.978 . 0 0 "[ . 1 . 2]" 1
1005 1 49 ARG HA 1 49 ARG HD3 . . 4.790 4.505 3.783 5.166 0.376 13 0 "[ . 1 . 2]" 1
1006 1 49 ARG HA 1 50 PRO HD2 . . 3.610 2.466 2.183 2.729 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ARG HA 1 50 PRO HD3 . . 3.500 2.531 2.239 2.816 . 0 0 "[ . 1 . 2]" 1
1008 1 49 ARG HA 1 50 PRO QG . . 4.580 4.134 4.009 4.275 . 0 0 "[ . 1 . 2]" 1
1009 1 49 ARG HB2 1 50 PRO HD2 . . 4.450 2.955 2.030 3.889 . 0 0 "[ . 1 . 2]" 1
1010 1 49 ARG HB3 1 50 PRO HD2 . . 4.150 2.633 2.066 3.633 . 0 0 "[ . 1 . 2]" 1
1011 1 49 ARG HB3 1 50 PRO HD3 . . 4.740 3.937 3.337 4.515 . 0 0 "[ . 1 . 2]" 1
1012 1 50 PRO HA 1 51 VAL H . . 2.850 2.272 2.022 2.518 . 0 0 "[ . 1 . 2]" 1
1013 1 50 PRO HA 1 54 VAL H . . 5.200 5.082 4.443 5.277 0.077 5 0 "[ . 1 . 2]" 1
1014 1 50 PRO HA 1 54 VAL HB . . 5.460 5.445 4.984 5.545 0.085 4 0 "[ . 1 . 2]" 1
1015 1 50 PRO HA 1 56 VAL H . . 4.260 3.835 3.245 4.328 0.068 6 0 "[ . 1 . 2]" 1
1016 1 50 PRO HA 1 56 VAL QG . . 3.650 2.055 1.934 2.204 . 0 0 "[ . 1 . 2]" 1
1017 1 50 PRO HB2 1 51 VAL H . . 3.850 2.848 2.420 3.528 . 0 0 "[ . 1 . 2]" 1
1018 1 50 PRO HB2 1 53 GLY H . . 4.990 3.328 2.338 5.052 0.062 8 0 "[ . 1 . 2]" 1
1019 1 50 PRO HB3 1 51 VAL H . . 3.850 3.587 3.093 3.932 0.082 18 0 "[ . 1 . 2]" 1
1020 1 50 PRO QG 1 51 VAL H . . 4.860 4.267 3.986 4.649 . 0 0 "[ . 1 . 2]" 1
1021 1 51 VAL H 1 51 VAL HB . . 3.250 2.730 2.491 2.981 . 0 0 "[ . 1 . 2]" 1
1022 1 51 VAL H 1 51 VAL MG1 . . 3.980 3.832 2.587 4.024 0.044 13 0 "[ . 1 . 2]" 1
1023 1 51 VAL H 1 51 VAL MG2 . . 3.490 2.618 2.062 3.863 0.373 16 0 "[ . 1 . 2]" 1
1024 1 51 VAL H 1 52 ASP H . . 4.530 4.208 3.915 4.558 0.028 16 0 "[ . 1 . 2]" 1
1025 1 51 VAL H 1 53 GLY H . . 5.390 4.040 3.413 4.901 . 0 0 "[ . 1 . 2]" 1
1026 1 51 VAL H 1 54 VAL H . . 4.000 3.291 2.892 3.710 . 0 0 "[ . 1 . 2]" 1
1027 1 51 VAL H 1 54 VAL HB . . 4.300 3.616 2.917 4.188 . 0 0 "[ . 1 . 2]" 1
1028 1 51 VAL H 1 56 VAL H . . 4.880 4.943 4.697 4.970 0.090 15 0 "[ . 1 . 2]" 1
1029 1 51 VAL H 1 56 VAL QG . . 3.520 2.989 2.358 3.589 0.069 20 0 "[ . 1 . 2]" 1
1030 1 51 VAL HA 1 51 VAL MG1 . . 3.020 2.347 2.196 3.163 0.143 16 0 "[ . 1 . 2]" 1
1031 1 51 VAL HA 1 51 VAL MG2 . . 3.060 2.518 2.239 2.711 . 0 0 "[ . 1 . 2]" 1
1032 1 51 VAL HA 1 52 ASP H . . 2.720 2.232 2.116 2.405 . 0 0 "[ . 1 . 2]" 1
1033 1 51 VAL HA 1 52 ASP HA . . 4.340 4.364 4.273 4.412 0.072 14 0 "[ . 1 . 2]" 1
1034 1 51 VAL HA 1 52 ASP HB2 . . 4.340 4.198 3.879 4.416 0.076 19 0 "[ . 1 . 2]" 1
1035 1 51 VAL HA 1 53 GLY H . . 4.950 4.254 3.838 4.889 . 0 0 "[ . 1 . 2]" 1
1036 1 51 VAL HB 1 52 ASP H . . 4.430 4.144 3.138 4.499 0.069 10 0 "[ . 1 . 2]" 1
1037 1 51 VAL HB 1 54 VAL H . . 4.350 3.719 2.341 4.363 0.013 13 0 "[ . 1 . 2]" 1
1038 1 51 VAL HB 1 54 VAL HB . . 3.310 2.876 2.060 3.405 0.095 16 0 "[ . 1 . 2]" 1
1039 1 51 VAL MG1 1 52 ASP H . . 3.390 2.941 1.883 3.440 0.050 12 0 "[ . 1 . 2]" 1
1040 1 51 VAL MG1 1 52 ASP HA . . 4.540 4.437 4.053 4.641 0.101 12 0 "[ . 1 . 2]" 1
1041 1 51 VAL MG1 1 52 ASP HB2 . . 4.010 2.982 2.747 3.429 . 0 0 "[ . 1 . 2]" 1
1042 1 51 VAL MG1 1 52 ASP HB3 . . 4.190 3.599 3.095 4.367 0.177 16 0 "[ . 1 . 2]" 1
1043 1 51 VAL MG2 1 52 ASP HB2 . . 5.500 5.269 2.743 5.531 0.031 6 0 "[ . 1 . 2]" 1
1044 1 52 ASP H 1 52 ASP HA . . 2.910 2.374 2.187 2.838 . 0 0 "[ . 1 . 2]" 1
1045 1 52 ASP H 1 52 ASP HB2 . . 3.250 2.630 1.958 2.989 . 0 0 "[ . 1 . 2]" 1
1046 1 52 ASP H 1 52 ASP HB3 . . 3.570 3.568 3.329 3.649 0.079 12 0 "[ . 1 . 2]" 1
1047 1 52 ASP H 1 53 GLY H . . 3.730 3.083 2.691 3.824 0.094 14 0 "[ . 1 . 2]" 1
1048 1 52 ASP H 1 53 GLY HA2 . . 5.500 5.354 4.986 5.997 0.497 16 0 "[ . 1 . 2]" 1
1049 1 52 ASP H 1 54 VAL H . . 4.960 4.177 3.868 4.377 . 0 0 "[ . 1 . 2]" 1
1050 1 52 ASP HA 1 53 GLY H . . 2.740 2.644 2.210 2.825 0.085 4 0 "[ . 1 . 2]" 1
1051 1 52 ASP HA 1 53 GLY HA2 . . 4.640 4.581 4.255 4.735 0.095 18 0 "[ . 1 . 2]" 1
1052 1 52 ASP HB2 1 53 GLY H . . 4.550 4.471 4.345 4.603 0.053 6 0 "[ . 1 . 2]" 1
1053 1 52 ASP HB2 1 54 VAL H . . 4.870 4.917 4.729 4.966 0.096 16 0 "[ . 1 . 2]" 1
1054 1 52 ASP HB3 1 53 GLY H . . 4.360 4.171 3.993 4.412 0.052 5 0 "[ . 1 . 2]" 1
1055 1 52 ASP HB3 1 54 VAL H . . 5.350 4.208 3.564 5.419 0.069 19 0 "[ . 1 . 2]" 1
1056 1 53 GLY H 1 54 VAL H . . 3.210 2.608 2.420 2.841 . 0 0 "[ . 1 . 2]" 1
1057 1 53 GLY H 1 54 VAL QG . . 4.840 4.107 3.821 4.375 . 0 0 "[ . 1 . 2]" 1
1058 1 53 GLY HA3 1 54 VAL QG . . 4.570 3.990 3.271 4.964 0.394 18 0 "[ . 1 . 2]" 1
1059 1 54 VAL H 1 54 VAL HB . . 3.120 2.571 2.168 3.153 0.033 8 0 "[ . 1 . 2]" 1
1060 1 54 VAL H 1 54 VAL QG . . 3.200 2.319 2.063 2.687 . 0 0 "[ . 1 . 2]" 1
1061 1 54 VAL HA 1 54 VAL QG . . 3.060 2.148 2.093 2.204 . 0 0 "[ . 1 . 2]" 1
1062 1 54 VAL HA 1 55 GLU H . . 2.580 2.234 2.115 2.440 . 0 0 "[ . 1 . 2]" 1
1063 1 54 VAL HB 1 55 GLU H . . 3.930 3.940 3.619 4.014 0.084 1 0 "[ . 1 . 2]" 1
1064 1 54 VAL QG 1 55 GLU H . . 3.200 2.346 2.012 2.717 . 0 0 "[ . 1 . 2]" 1
1065 1 54 VAL QG 1 55 GLU QB . . 4.500 3.870 3.243 4.310 . 0 0 "[ . 1 . 2]" 1
1066 1 54 VAL QG 1 55 GLU HG3 . . 5.320 4.115 3.573 5.012 . 0 0 "[ . 1 . 2]" 1
1067 1 55 GLU H 1 55 GLU QB . . 2.880 2.485 1.856 2.932 0.052 14 0 "[ . 1 . 2]" 1
1068 1 55 GLU H 1 55 GLU HG2 . . 3.790 2.593 2.039 3.894 0.104 6 0 "[ . 1 . 2]" 1
1069 1 55 GLU H 1 55 GLU HG3 . . 3.830 3.424 2.408 3.937 0.107 20 0 "[ . 1 . 2]" 1
1070 1 55 GLU H 1 56 VAL H . . 4.520 4.520 4.185 4.590 0.070 8 0 "[ . 1 . 2]" 1
1071 1 55 GLU HA 1 55 GLU HG2 . . 3.610 3.559 2.046 3.777 0.167 14 0 "[ . 1 . 2]" 1
1072 1 55 GLU HA 1 55 GLU HG3 . . 3.690 3.471 2.330 3.767 0.077 5 0 "[ . 1 . 2]" 1
1073 1 55 GLU HA 1 56 VAL H . . 2.740 2.244 2.105 2.572 . 0 0 "[ . 1 . 2]" 1
1074 1 55 GLU HA 1 56 VAL QG . . 4.340 3.270 3.000 3.472 . 0 0 "[ . 1 . 2]" 1
1075 1 55 GLU QB 1 55 GLU HG2 . . 2.690 2.379 2.087 2.503 . 0 0 "[ . 1 . 2]" 1
1076 1 55 GLU QB 1 55 GLU HG3 . . 2.530 2.329 2.234 2.555 0.025 1 0 "[ . 1 . 2]" 1
1077 1 55 GLU QB 1 56 VAL H . . 3.730 2.868 2.148 3.818 0.088 20 0 "[ . 1 . 2]" 1
1078 1 55 GLU QB 1 56 VAL HA . . 5.070 4.422 3.746 4.929 . 0 0 "[ . 1 . 2]" 1
1079 1 55 GLU QB 1 59 CYS HB2 . . 5.000 4.592 3.515 5.093 0.093 18 0 "[ . 1 . 2]" 1
1080 1 55 GLU HG2 1 56 VAL H . . 4.540 4.445 3.096 4.633 0.093 17 0 "[ . 1 . 2]" 1
1081 1 55 GLU HG3 1 56 VAL H . . 4.510 3.941 2.695 4.612 0.102 14 0 "[ . 1 . 2]" 1
1082 1 56 VAL H 1 56 VAL HB . . 3.420 3.487 3.438 3.513 0.093 4 0 "[ . 1 . 2]" 1
1083 1 56 VAL H 1 56 VAL QG . . 3.170 2.076 1.965 2.231 . 0 0 "[ . 1 . 2]" 1
1084 1 56 VAL H 1 57 PRO HD2 . . 4.950 4.879 4.778 4.963 0.013 16 0 "[ . 1 . 2]" 1
1085 1 56 VAL H 1 57 PRO HD3 . . 5.080 5.043 4.836 5.151 0.071 15 0 "[ . 1 . 2]" 1
1086 1 56 VAL H 1 59 CYS HB2 . . 4.700 2.701 1.751 3.242 . 0 0 "[ . 1 . 2]" 1
1087 1 56 VAL H 1 59 CYS HB3 . . 5.270 3.489 2.363 4.244 . 0 0 "[ . 1 . 2]" 1
1088 1 56 VAL HA 1 56 VAL QG . . 3.100 2.241 2.109 2.621 . 0 0 "[ . 1 . 2]" 1
1089 1 56 VAL HA 1 57 PRO HD2 . . 3.190 2.436 2.207 2.751 . 0 0 "[ . 1 . 2]" 1
1090 1 56 VAL HA 1 57 PRO HD3 . . 3.000 2.445 2.254 2.556 . 0 0 "[ . 1 . 2]" 1
1091 1 56 VAL HA 1 57 PRO HG2 . . 4.640 4.589 4.410 4.713 0.073 16 0 "[ . 1 . 2]" 1
1092 1 56 VAL HA 1 59 CYS HB2 . . 4.770 4.627 3.831 4.851 0.081 8 0 "[ . 1 . 2]" 1
1093 1 56 VAL HB 1 57 PRO HD2 . . 3.670 2.539 2.279 2.856 . 0 0 "[ . 1 . 2]" 1
1094 1 56 VAL HB 1 57 PRO HD3 . . 3.970 3.864 3.540 4.036 0.066 10 0 "[ . 1 . 2]" 1
1095 1 56 VAL HB 1 58 GLY H . . 5.500 5.406 5.009 5.569 0.069 9 0 "[ . 1 . 2]" 1
1096 1 56 VAL HB 1 59 CYS H . . 4.710 4.420 3.997 4.761 0.051 20 0 "[ . 1 . 2]" 1
1097 1 56 VAL HB 1 59 CYS HB2 . . 3.540 3.593 3.362 3.648 0.108 9 0 "[ . 1 . 2]" 1
1098 1 56 VAL QG 1 57 PRO HD2 . . 3.930 2.372 2.028 2.915 . 0 0 "[ . 1 . 2]" 1
1099 1 56 VAL QG 1 57 PRO HD3 . . 4.080 3.365 2.680 3.866 . 0 0 "[ . 1 . 2]" 1
1100 1 56 VAL QG 1 58 GLY H . . 5.420 4.806 3.240 5.234 . 0 0 "[ . 1 . 2]" 1
1101 1 56 VAL QG 1 59 CYS H . . 4.130 3.507 2.198 4.089 . 0 0 "[ . 1 . 2]" 1
1102 1 56 VAL QG 1 59 CYS HA . . 4.550 3.475 2.259 4.171 . 0 0 "[ . 1 . 2]" 1
1103 1 56 VAL QG 1 59 CYS HB2 . . 3.770 2.019 1.793 2.216 . 0 0 "[ . 1 . 2]" 1
1104 1 56 VAL QG 1 59 CYS HB3 . . 4.020 3.366 2.877 3.636 . 0 0 "[ . 1 . 2]" 1
1105 1 57 PRO HA 1 58 GLY H . . 2.900 2.160 2.093 2.279 . 0 0 "[ . 1 . 2]" 1
1106 1 57 PRO QB 1 58 GLY H . . 4.300 3.417 3.147 3.763 . 0 0 "[ . 1 . 2]" 1
1107 1 57 PRO QB 1 104 PHE H . . 5.500 4.488 3.506 5.354 . 0 0 "[ . 1 . 2]" 1
1108 1 57 PRO QB 1 105 TRP HA . . 4.070 2.775 1.989 4.028 . 0 0 "[ . 1 . 2]" 1
1109 1 57 PRO QB 1 105 TRP HE1 . . 5.500 4.252 3.205 5.075 . 0 0 "[ . 1 . 2]" 1
1110 1 57 PRO HD2 1 58 GLY H . . 5.470 5.398 5.015 5.541 0.071 6 0 "[ . 1 . 2]" 1
1111 1 57 PRO HG2 1 104 PHE H . . 4.960 4.394 3.220 5.035 0.075 3 0 "[ . 1 . 2]" 1
1112 1 57 PRO HG2 1 104 PHE HB2 . . 4.920 3.944 2.380 4.984 0.064 10 0 "[ . 1 . 2]" 1
1113 1 58 GLY H 1 59 CYS H . . 3.330 2.412 2.064 2.663 . 0 0 "[ . 1 . 2]" 1
1114 1 58 GLY H 1 59 CYS HB2 . . 4.720 4.501 4.219 4.755 0.035 1 0 "[ . 1 . 2]" 1
1115 1 58 GLY H 1 59 CYS HB3 . . 4.890 4.866 4.460 4.974 0.084 17 0 "[ . 1 . 2]" 1
1116 1 58 GLY H 1 61 LYS QD . . 5.500 4.137 3.115 5.159 . 0 0 "[ . 1 . 2]" 1
1117 1 58 GLY H 1 104 PHE HB2 . . 5.500 4.658 3.610 5.567 0.067 16 0 "[ . 1 . 2]" 1
1118 1 58 GLY H 1 105 TRP HA . . 4.100 3.518 2.942 4.181 0.081 16 0 "[ . 1 . 2]" 1
1119 1 58 GLY HA3 1 61 LYS QD . . 4.740 3.563 2.911 4.417 . 0 0 "[ . 1 . 2]" 1
1120 1 58 GLY HA3 1 63 PHE QE . . 5.170 4.138 2.892 5.189 0.019 16 0 "[ . 1 . 2]" 1
1121 1 58 GLY HA3 1 63 PHE HZ . . 5.290 3.934 2.912 4.870 . 0 0 "[ . 1 . 2]" 1
1122 1 58 GLY HA3 1 104 PHE HB2 . . 4.500 2.620 2.080 4.536 0.036 16 0 "[ . 1 . 2]" 1
1123 1 58 GLY HA3 1 104 PHE HB3 . . 4.240 2.604 2.112 3.987 . 0 0 "[ . 1 . 2]" 1
1124 1 58 GLY HA3 1 104 PHE QD . . 5.440 3.907 2.922 5.381 . 0 0 "[ . 1 . 2]" 1
1125 1 58 GLY HA3 1 105 TRP H . . 5.360 3.865 3.020 5.424 0.064 6 0 "[ . 1 . 2]" 1
1126 1 59 CYS H 1 59 CYS HB2 . . 3.050 2.297 2.177 2.433 . 0 0 "[ . 1 . 2]" 1
1127 1 59 CYS H 1 59 CYS HB3 . . 3.210 2.703 2.468 2.915 . 0 0 "[ . 1 . 2]" 1
1128 1 59 CYS H 1 60 GLY H . . 4.660 4.615 4.571 4.675 0.015 20 0 "[ . 1 . 2]" 1
1129 1 59 CYS H 1 61 LYS H . . 5.320 4.868 4.455 5.390 0.070 8 0 "[ . 1 . 2]" 1
1130 1 59 CYS H 1 61 LYS QD . . 4.560 3.866 3.544 4.148 . 0 0 "[ . 1 . 2]" 1
1131 1 59 CYS HA 1 60 GLY H . . 3.290 2.247 2.141 2.374 . 0 0 "[ . 1 . 2]" 1
1132 1 59 CYS HA 1 61 LYS H . . 4.060 3.321 3.010 3.614 . 0 0 "[ . 1 . 2]" 1
1133 1 59 CYS HA 1 61 LYS QD . . 3.840 3.905 3.631 3.942 0.102 3 0 "[ . 1 . 2]" 1
1134 1 59 CYS HB2 1 60 GLY H . . 4.920 4.200 4.025 4.369 . 0 0 "[ . 1 . 2]" 1
1135 1 59 CYS HB2 1 61 LYS QD . . 5.310 5.354 5.210 5.407 0.097 16 0 "[ . 1 . 2]" 1
1136 1 59 CYS HB3 1 60 GLY H . . 4.850 3.730 3.485 4.043 . 0 0 "[ . 1 . 2]" 1
1137 1 60 GLY H 1 61 LYS H . . 3.350 2.682 2.416 3.157 . 0 0 "[ . 1 . 2]" 1
1138 1 60 GLY H 1 61 LYS QD . . 5.500 4.088 3.562 4.519 . 0 0 "[ . 1 . 2]" 1
1139 1 60 GLY HA3 1 61 LYS HG3 . . 5.500 4.696 3.935 6.280 0.780 14 1 "[ . 1 +. 2]" 1
1140 1 61 LYS H 1 61 LYS HB2 . . 3.790 2.819 2.427 3.876 0.086 14 0 "[ . 1 . 2]" 1
1141 1 61 LYS H 1 61 LYS HB3 . . 4.140 3.690 3.525 3.794 . 0 0 "[ . 1 . 2]" 1
1142 1 61 LYS H 1 61 LYS QD . . 4.930 2.219 1.813 2.900 . 0 0 "[ . 1 . 2]" 1
1143 1 61 LYS H 1 61 LYS HG2 . . 4.260 3.982 2.385 4.521 0.261 7 0 "[ . 1 . 2]" 1
1144 1 61 LYS H 1 61 LYS HG3 . . 4.580 3.433 2.859 4.296 . 0 0 "[ . 1 . 2]" 1
1145 1 61 LYS H 1 62 ILE H . . 5.110 4.509 4.301 4.694 . 0 0 "[ . 1 . 2]" 1
1146 1 61 LYS HA 1 61 LYS QD . . 4.830 3.670 3.387 3.933 . 0 0 "[ . 1 . 2]" 1
1147 1 61 LYS HA 1 61 LYS QE . . 5.000 4.646 4.186 5.111 0.111 20 0 "[ . 1 . 2]" 1
1148 1 61 LYS HA 1 62 ILE H . . 3.150 2.392 2.200 2.575 . 0 0 "[ . 1 . 2]" 1
1149 1 61 LYS HB2 1 61 LYS QE . . 3.860 3.847 2.621 3.962 0.102 11 0 "[ . 1 . 2]" 1
1150 1 61 LYS HB2 1 62 ILE H . . 4.350 3.493 2.165 4.247 . 0 0 "[ . 1 . 2]" 1
1151 1 61 LYS HB2 1 63 PHE QE . . 4.170 3.275 2.312 4.266 0.096 8 0 "[ . 1 . 2]" 1
1152 1 61 LYS HB2 1 63 PHE HZ . . 4.840 3.284 2.403 4.631 . 0 0 "[ . 1 . 2]" 1
1153 1 61 LYS HB3 1 62 ILE H . . 3.970 2.793 2.275 3.957 . 0 0 "[ . 1 . 2]" 1
1154 1 61 LYS HB3 1 63 PHE QE . . 5.230 3.961 3.154 5.268 0.038 8 0 "[ . 1 . 2]" 1
1155 1 61 LYS HB3 1 63 PHE HZ . . 5.410 4.007 2.720 5.409 . 0 0 "[ . 1 . 2]" 1
1156 1 61 LYS QD 1 63 PHE QE . . 4.470 3.986 3.587 4.568 0.098 7 0 "[ . 1 . 2]" 1
1157 1 61 LYS QD 1 63 PHE HZ . . 3.840 3.404 2.786 3.925 0.085 20 0 "[ . 1 . 2]" 1
1158 1 61 LYS QE 1 61 LYS HG3 . . 3.610 2.362 1.991 3.285 . 0 0 "[ . 1 . 2]" 1
1159 1 61 LYS QE 1 63 PHE QE . . 5.500 5.019 3.136 5.613 0.113 11 0 "[ . 1 . 2]" 1
1160 1 62 ILE H 1 62 ILE HB . . 3.540 2.639 2.388 2.955 . 0 0 "[ . 1 . 2]" 1
1161 1 62 ILE H 1 62 ILE MD . . 4.650 4.037 2.713 4.693 0.043 1 0 "[ . 1 . 2]" 1
1162 1 62 ILE H 1 62 ILE HG12 . . 4.220 4.149 3.524 4.727 0.507 7 1 "[ . + 1 . 2]" 1
1163 1 62 ILE H 1 62 ILE HG13 . . 5.260 3.499 2.662 4.288 . 0 0 "[ . 1 . 2]" 1
1164 1 62 ILE H 1 62 ILE MG . . 4.580 3.787 3.706 3.880 . 0 0 "[ . 1 . 2]" 1
1165 1 62 ILE H 1 63 PHE H . . 5.140 4.282 4.122 4.558 . 0 0 "[ . 1 . 2]" 1
1166 1 62 ILE HA 1 62 ILE MD . . 4.240 3.501 2.561 3.806 . 0 0 "[ . 1 . 2]" 1
1167 1 62 ILE HA 1 62 ILE HG12 . . 4.090 2.616 2.196 3.686 . 0 0 "[ . 1 . 2]" 1
1168 1 62 ILE HA 1 62 ILE HG13 . . 3.620 2.890 2.401 3.125 . 0 0 "[ . 1 . 2]" 1
1169 1 62 ILE HA 1 62 ILE MG . . 3.530 2.513 2.386 2.609 . 0 0 "[ . 1 . 2]" 1
1170 1 62 ILE HA 1 63 PHE H . . 3.180 2.246 2.140 2.349 . 0 0 "[ . 1 . 2]" 1
1171 1 62 ILE HA 1 63 PHE HA . . 4.780 4.497 4.389 4.571 . 0 0 "[ . 1 . 2]" 1
1172 1 62 ILE HA 1 63 PHE QD . . 4.930 3.485 2.991 4.288 . 0 0 "[ . 1 . 2]" 1
1173 1 62 ILE HA 1 63 PHE QE . . 4.590 4.333 3.784 4.695 0.105 7 0 "[ . 1 . 2]" 1
1174 1 62 ILE HB 1 63 PHE H . . 5.120 4.181 4.043 4.519 . 0 0 "[ . 1 . 2]" 1
1175 1 62 ILE MD 1 63 PHE H . . 5.500 4.786 4.447 5.044 . 0 0 "[ . 1 . 2]" 1
1176 1 62 ILE MG 1 63 PHE H . . 3.760 2.498 2.263 3.105 . 0 0 "[ . 1 . 2]" 1
1177 1 62 ILE MG 1 63 PHE HA . . 4.550 3.622 3.294 4.191 . 0 0 "[ . 1 . 2]" 1
1178 1 63 PHE H 1 63 PHE HB2 . . 3.910 2.697 2.451 2.830 . 0 0 "[ . 1 . 2]" 1
1179 1 63 PHE H 1 63 PHE QD . . 3.840 2.530 2.233 2.996 . 0 0 "[ . 1 . 2]" 1
1180 1 63 PHE H 1 63 PHE QE . . 4.320 4.405 4.349 4.420 0.100 16 0 "[ . 1 . 2]" 1
1181 1 63 PHE H 1 99 TYR QE . . 4.440 4.394 4.126 4.512 0.072 4 0 "[ . 1 . 2]" 1
1182 1 63 PHE HA 1 63 PHE QE . . 5.410 4.798 4.555 5.077 . 0 0 "[ . 1 . 2]" 1
1183 1 63 PHE HA 1 64 VAL H . . 3.060 2.313 2.130 2.426 . 0 0 "[ . 1 . 2]" 1
1184 1 63 PHE HA 1 64 VAL HB . . 4.680 4.404 4.228 4.663 . 0 0 "[ . 1 . 2]" 1
1185 1 63 PHE HA 1 64 VAL QG . . 4.620 3.595 3.231 3.911 . 0 0 "[ . 1 . 2]" 1
1186 1 63 PHE HB2 1 64 VAL H . . 5.090 3.908 3.404 4.382 . 0 0 "[ . 1 . 2]" 1
1187 1 63 PHE HB2 1 99 TYR QE . . 3.430 2.394 2.110 2.964 . 0 0 "[ . 1 . 2]" 1
1188 1 63 PHE HB3 1 64 VAL H . . 4.540 3.098 2.499 3.739 . 0 0 "[ . 1 . 2]" 1
1189 1 63 PHE HB3 1 99 TYR QD . . 4.340 2.492 2.263 3.392 . 0 0 "[ . 1 . 2]" 1
1190 1 63 PHE HB3 1 99 TYR QE . . 3.620 2.630 2.154 3.686 0.066 18 0 "[ . 1 . 2]" 1
1191 1 63 PHE QD 1 64 VAL H . . 5.500 4.474 4.198 4.921 . 0 0 "[ . 1 . 2]" 1
1192 1 63 PHE HZ 1 104 PHE HA . . 4.590 4.148 3.405 4.649 0.059 8 0 "[ . 1 . 2]" 1
1193 1 63 PHE HZ 1 104 PHE HB3 . . 4.110 3.050 2.316 4.152 0.042 12 0 "[ . 1 . 2]" 1
1194 1 64 VAL H 1 64 VAL HB . . 3.520 2.966 2.370 3.387 . 0 0 "[ . 1 . 2]" 1
1195 1 64 VAL H 1 64 VAL QG . . 3.670 2.492 1.939 3.024 . 0 0 "[ . 1 . 2]" 1
1196 1 64 VAL H 1 65 GLU H . . 5.180 4.298 4.071 4.553 . 0 0 "[ . 1 . 2]" 1
1197 1 64 VAL H 1 99 TYR QE . . 5.500 3.521 2.338 5.251 . 0 0 "[ . 1 . 2]" 1
1198 1 64 VAL HA 1 65 GLU H . . 3.060 2.282 2.065 2.430 . 0 0 "[ . 1 . 2]" 1
1199 1 64 VAL HA 1 65 GLU HB3 . . 5.190 4.388 4.052 4.796 . 0 0 "[ . 1 . 2]" 1
1200 1 64 VAL QG 1 65 GLU H . . 3.610 2.579 2.198 3.249 . 0 0 "[ . 1 . 2]" 1
1201 1 64 VAL QG 1 65 GLU HA . . 4.850 3.803 3.476 4.342 . 0 0 "[ . 1 . 2]" 1
1202 1 64 VAL QG 1 66 PHE QD . . 4.420 3.160 2.322 3.797 . 0 0 "[ . 1 . 2]" 1
1203 1 64 VAL QG 1 84 PHE QE . . 4.080 3.456 2.817 3.882 . 0 0 "[ . 1 . 2]" 1
1204 1 65 GLU H 1 65 GLU HB2 . . 3.860 2.947 2.291 3.351 . 0 0 "[ . 1 . 2]" 1
1205 1 65 GLU H 1 65 GLU HB3 . . 3.070 2.525 2.278 2.767 . 0 0 "[ . 1 . 2]" 1
1206 1 65 GLU H 1 65 GLU HG3 . . 5.430 4.582 4.318 4.754 . 0 0 "[ . 1 . 2]" 1
1207 1 65 GLU H 1 66 PHE H . . 4.650 4.428 4.107 4.593 . 0 0 "[ . 1 . 2]" 1
1208 1 65 GLU H 1 99 TYR QE . . 4.610 4.000 3.288 4.684 0.074 18 0 "[ . 1 . 2]" 1
1209 1 65 GLU HA 1 65 GLU HG3 . . 3.660 2.714 2.483 3.866 0.206 3 0 "[ . 1 . 2]" 1
1210 1 65 GLU HA 1 66 PHE H . . 3.260 2.241 2.039 2.396 . 0 0 "[ . 1 . 2]" 1
1211 1 65 GLU HA 1 66 PHE QD . . 3.710 3.558 3.225 3.809 0.099 11 0 "[ . 1 . 2]" 1
1212 1 65 GLU HB2 1 66 PHE H . . 4.660 4.163 3.956 4.384 . 0 0 "[ . 1 . 2]" 1
1213 1 65 GLU HB2 1 99 TYR QE . . 3.880 2.836 2.181 3.075 . 0 0 "[ . 1 . 2]" 1
1214 1 65 GLU HB3 1 66 PHE H . . 4.960 4.087 3.739 4.385 . 0 0 "[ . 1 . 2]" 1
1215 1 65 GLU HB3 1 99 TYR QE . . 5.410 3.302 2.672 4.085 . 0 0 "[ . 1 . 2]" 1
1216 1 65 GLU HG2 1 66 PHE H . . 4.040 3.239 2.400 4.313 0.273 3 0 "[ . 1 . 2]" 1
1217 1 65 GLU HG2 1 99 TYR QD . . 4.920 4.950 3.304 5.580 0.660 19 1 "[ . 1 . +2]" 1
1218 1 65 GLU HG2 1 99 TYR QE . . 4.300 4.248 3.096 4.946 0.646 19 1 "[ . 1 . +2]" 1
1219 1 65 GLU HG3 1 66 PHE H . . 4.460 3.003 2.275 4.123 . 0 0 "[ . 1 . 2]" 1
1220 1 66 PHE H 1 66 PHE HB2 . . 3.740 2.551 2.388 2.841 . 0 0 "[ . 1 . 2]" 1
1221 1 66 PHE H 1 66 PHE HB3 . . 4.200 3.696 3.504 3.901 . 0 0 "[ . 1 . 2]" 1
1222 1 66 PHE H 1 66 PHE QD . . 3.320 2.995 2.451 3.380 0.060 3 0 "[ . 1 . 2]" 1
1223 1 66 PHE H 1 67 THR H . . 4.930 4.471 4.313 4.601 . 0 0 "[ . 1 . 2]" 1
1224 1 66 PHE H 1 68 SER H . . 4.990 4.685 4.222 5.052 0.062 6 0 "[ . 1 . 2]" 1
1225 1 66 PHE H 1 72 CYS HB3 . . 5.500 5.207 3.918 6.255 0.755 7 2 "[ -. + 1 . 2]" 1
1226 1 66 PHE HA 1 66 PHE QD . . 3.510 2.991 2.721 3.184 . 0 0 "[ . 1 . 2]" 1
1227 1 66 PHE HA 1 67 THR H . . 3.440 2.519 2.367 2.728 . 0 0 "[ . 1 . 2]" 1
1228 1 66 PHE HA 1 67 THR MG . . 4.400 3.848 3.274 4.144 . 0 0 "[ . 1 . 2]" 1
1229 1 66 PHE HA 1 68 SER H . . 4.370 4.306 3.987 4.437 0.067 2 0 "[ . 1 . 2]" 1
1230 1 66 PHE HB2 1 67 THR H . . 4.080 3.544 3.010 3.863 . 0 0 "[ . 1 . 2]" 1
1231 1 66 PHE HB2 1 68 SER H . . 3.790 3.115 2.550 3.667 . 0 0 "[ . 1 . 2]" 1
1232 1 66 PHE HB2 1 72 CYS HB2 . . 5.190 3.227 2.150 5.007 . 0 0 "[ . 1 . 2]" 1
1233 1 66 PHE HB3 1 67 THR H . . 3.580 2.244 1.860 2.577 . 0 0 "[ . 1 . 2]" 1
1234 1 66 PHE HB3 1 67 THR MG . . 5.390 4.204 3.389 4.835 . 0 0 "[ . 1 . 2]" 1
1235 1 66 PHE HB3 1 68 SER H . . 3.550 2.542 2.179 2.864 . 0 0 "[ . 1 . 2]" 1
1236 1 66 PHE HB3 1 71 ASP HB3 . . 4.990 3.696 2.836 4.819 . 0 0 "[ . 1 . 2]" 1
1237 1 66 PHE QD 1 67 THR H . . 4.180 3.502 2.926 3.912 . 0 0 "[ . 1 . 2]" 1
1238 1 66 PHE QD 1 71 ASP HB2 . . 4.740 3.422 2.367 4.569 . 0 0 "[ . 1 . 2]" 1
1239 1 66 PHE QD 1 71 ASP HB3 . . 4.510 3.177 2.209 4.843 0.333 9 0 "[ . 1 . 2]" 1
1240 1 66 PHE QD 1 72 CYS HA . . 4.080 3.388 2.955 3.870 . 0 0 "[ . 1 . 2]" 1
1241 1 66 PHE QD 1 72 CYS HB2 . . 4.660 3.237 2.378 4.719 0.059 20 0 "[ . 1 . 2]" 1
1242 1 66 PHE QD 1 72 CYS HB3 . . 3.740 3.642 2.133 4.729 0.989 19 6 "[* * -* .* +2]" 1
1243 1 67 THR H 1 67 THR HB . . 4.160 3.260 2.431 3.704 . 0 0 "[ . 1 . 2]" 1
1244 1 67 THR H 1 67 THR MG . . 3.560 2.391 1.882 2.974 . 0 0 "[ . 1 . 2]" 1
1245 1 67 THR H 1 68 SER H . . 3.240 2.643 2.161 2.883 . 0 0 "[ . 1 . 2]" 1
1246 1 67 THR H 1 71 ASP HB2 . . 5.500 4.114 3.526 5.263 . 0 0 "[ . 1 . 2]" 1
1247 1 67 THR HA 1 67 THR HB . . 2.980 2.548 2.410 2.733 . 0 0 "[ . 1 . 2]" 1
1248 1 67 THR HA 1 67 THR MG . . 3.180 2.557 2.133 3.244 0.064 16 0 "[ . 1 . 2]" 1
1249 1 67 THR HB 1 68 SER H . . 4.570 4.162 3.552 4.517 . 0 0 "[ . 1 . 2]" 1
1250 1 67 THR MG 1 68 SER H . . 4.530 4.001 3.019 4.469 . 0 0 "[ . 1 . 2]" 1
1251 1 67 THR MG 1 68 SER QB . . 5.500 4.647 3.277 5.326 . 0 0 "[ . 1 . 2]" 1
1252 1 68 SER H 1 69 VAL H . . 4.750 4.237 4.004 4.393 . 0 0 "[ . 1 . 2]" 1
1253 1 68 SER H 1 70 PHE H . . 4.900 4.823 4.313 4.983 0.083 1 0 "[ . 1 . 2]" 1
1254 1 68 SER H 1 71 ASP HB2 . . 4.030 3.259 2.533 4.892 0.862 9 3 "[ - . +1 * 2]" 1
1255 1 68 SER H 1 71 ASP HB3 . . 4.800 4.440 4.094 4.874 0.074 5 0 "[ . 1 . 2]" 1
1256 1 68 SER H 1 72 CYS H . . 5.260 4.108 3.629 4.875 . 0 0 "[ . 1 . 2]" 1
1257 1 68 SER HA 1 69 VAL H . . 2.920 2.270 2.176 2.474 . 0 0 "[ . 1 . 2]" 1
1258 1 68 SER HA 1 69 VAL HB . . 5.220 4.890 4.715 5.271 0.051 17 0 "[ . 1 . 2]" 1
1259 1 68 SER HA 1 69 VAL MG1 . . 5.500 5.518 5.398 5.609 0.109 2 0 "[ . 1 . 2]" 1
1260 1 68 SER HA 1 69 VAL MG2 . . 4.530 3.574 3.329 3.854 . 0 0 "[ . 1 . 2]" 1
1261 1 68 SER HA 1 70 PHE H . . 4.200 3.962 3.751 4.249 0.049 12 0 "[ . 1 . 2]" 1
1262 1 68 SER HA 1 70 PHE QB . . 5.320 5.128 4.648 5.390 0.070 12 0 "[ . 1 . 2]" 1
1263 1 68 SER HA 1 71 ASP H . . 5.500 4.699 4.495 4.892 . 0 0 "[ . 1 . 2]" 1
1264 1 68 SER QB 1 69 VAL H . . 3.470 2.891 2.517 3.337 . 0 0 "[ . 1 . 2]" 1
1265 1 68 SER QB 1 70 PHE H . . 4.410 2.472 2.111 3.143 . 0 0 "[ . 1 . 2]" 1
1266 1 68 SER QB 1 70 PHE QB . . 5.160 2.837 2.249 3.144 . 0 0 "[ . 1 . 2]" 1
1267 1 68 SER QB 1 71 ASP H . . 4.410 2.865 2.145 3.674 . 0 0 "[ . 1 . 2]" 1
1268 1 69 VAL H 1 69 VAL HB . . 3.290 2.668 2.499 3.064 . 0 0 "[ . 1 . 2]" 1
1269 1 69 VAL H 1 69 VAL MG1 . . 3.740 3.748 3.694 3.814 0.074 10 0 "[ . 1 . 2]" 1
1270 1 69 VAL H 1 69 VAL MG2 . . 3.190 1.952 1.826 2.294 . 0 0 "[ . 1 . 2]" 1
1271 1 69 VAL H 1 70 PHE H . . 3.380 2.725 2.293 2.898 . 0 0 "[ . 1 . 2]" 1
1272 1 69 VAL H 1 70 PHE QB . . 4.540 4.513 4.057 4.626 0.086 14 0 "[ . 1 . 2]" 1
1273 1 69 VAL H 1 71 ASP H . . 5.330 4.424 4.180 4.783 . 0 0 "[ . 1 . 2]" 1
1274 1 69 VAL HA 1 69 VAL MG1 . . 3.380 2.352 2.227 2.465 . 0 0 "[ . 1 . 2]" 1
1275 1 69 VAL HA 1 69 VAL MG2 . . 3.360 2.548 2.421 2.862 . 0 0 "[ . 1 . 2]" 1
1276 1 69 VAL HA 1 71 ASP H . . 5.320 4.302 3.755 4.943 . 0 0 "[ . 1 . 2]" 1
1277 1 69 VAL HA 1 72 CYS H . . 4.800 3.641 3.398 3.923 . 0 0 "[ . 1 . 2]" 1
1278 1 69 VAL HA 1 72 CYS HB3 . . 4.360 3.380 2.391 4.436 0.076 6 0 "[ . 1 . 2]" 1
1279 1 69 VAL HB 1 70 PHE H . . 3.550 2.926 2.551 3.442 . 0 0 "[ . 1 . 2]" 1
1280 1 69 VAL HB 1 70 PHE QB . . 4.890 4.542 4.081 4.967 0.077 18 0 "[ . 1 . 2]" 1
1281 1 69 VAL HB 1 70 PHE QD . . 4.440 3.418 2.597 4.162 . 0 0 "[ . 1 . 2]" 1
1282 1 69 VAL HB 1 70 PHE QE . . 4.780 4.584 3.199 4.869 0.089 4 0 "[ . 1 . 2]" 1
1283 1 69 VAL MG1 1 70 PHE H . . 4.140 3.901 3.543 4.201 0.061 18 0 "[ . 1 . 2]" 1
1284 1 69 VAL MG1 1 70 PHE HA . . 4.570 3.959 3.365 4.278 . 0 0 "[ . 1 . 2]" 1
1285 1 69 VAL MG1 1 70 PHE QB . . 5.260 5.032 4.609 5.341 0.081 18 0 "[ . 1 . 2]" 1
1286 1 69 VAL MG1 1 70 PHE QE . . 5.500 5.076 4.027 5.606 0.106 5 0 "[ . 1 . 2]" 1
1287 1 69 VAL MG1 1 72 CYS H . . 5.500 4.869 4.393 5.321 . 0 0 "[ . 1 . 2]" 1
1288 1 69 VAL MG1 1 72 CYS HB2 . . 5.500 4.931 3.294 5.597 0.097 14 0 "[ . 1 . 2]" 1
1289 1 69 VAL MG1 1 72 CYS HB3 . . 5.500 4.380 3.305 5.577 0.077 8 0 "[ . 1 . 2]" 1
1290 1 69 VAL MG1 1 73 GLN H . . 4.980 4.123 3.684 4.824 . 0 0 "[ . 1 . 2]" 1
1291 1 69 VAL MG1 1 73 GLN HB3 . . 5.500 5.221 4.596 5.572 0.072 8 0 "[ . 1 . 2]" 1
1292 1 69 VAL MG1 1 73 GLN HE21 . . 5.500 2.081 1.665 3.051 . 0 0 "[ . 1 . 2]" 1
1293 1 69 VAL MG1 1 73 GLN HE22 . . 5.110 3.007 2.110 4.100 . 0 0 "[ . 1 . 2]" 1
1294 1 69 VAL MG1 1 73 GLN HG3 . . 4.030 3.201 2.239 4.826 0.796 14 2 "[ - . 1 +. 2]" 1
1295 1 69 VAL MG2 1 70 PHE H . . 4.190 3.846 3.389 4.158 . 0 0 "[ . 1 . 2]" 1
1296 1 69 VAL MG2 1 70 PHE QB . . 5.500 5.269 4.729 5.584 0.084 8 0 "[ . 1 . 2]" 1
1297 1 69 VAL MG2 1 72 CYS H . . 5.500 5.496 5.306 5.597 0.097 13 0 "[ . 1 . 2]" 1
1298 1 69 VAL MG2 1 73 GLN HE21 . . 5.500 4.666 3.758 5.583 0.083 1 0 "[ . 1 . 2]" 1
1299 1 70 PHE H 1 70 PHE QB . . 2.970 2.186 2.029 2.317 . 0 0 "[ . 1 . 2]" 1
1300 1 70 PHE H 1 73 GLN H . . 5.500 4.827 4.651 5.414 . 0 0 "[ . 1 . 2]" 1
1301 1 70 PHE HA 1 70 PHE QD . . 3.500 2.938 2.543 3.191 . 0 0 "[ . 1 . 2]" 1
1302 1 70 PHE HA 1 73 GLN H . . 4.080 3.641 3.339 4.100 0.020 14 0 "[ . 1 . 2]" 1
1303 1 70 PHE HA 1 73 GLN HB2 . . 3.710 2.650 2.410 2.850 . 0 0 "[ . 1 . 2]" 1
1304 1 70 PHE HA 1 73 GLN HB3 . . 4.040 4.040 3.472 4.124 0.084 20 0 "[ . 1 . 2]" 1
1305 1 70 PHE HA 1 73 GLN HG3 . . 4.480 4.275 2.918 5.331 0.851 14 1 "[ . 1 +. 2]" 1
1306 1 70 PHE QB 1 71 ASP H . . 3.380 2.875 2.272 3.385 0.005 12 0 "[ . 1 . 2]" 1
1307 1 70 PHE QB 1 72 CYS H . . 4.920 4.745 4.347 5.020 0.100 12 0 "[ . 1 . 2]" 1
1308 1 70 PHE QD 1 74 LYS QE . . 4.680 3.803 2.947 4.669 . 0 0 "[ . 1 . 2]" 1
1309 1 71 ASP H 1 71 ASP HB2 . . 3.400 2.591 2.195 3.775 0.375 15 0 "[ . 1 . 2]" 1
1310 1 71 ASP H 1 71 ASP HB3 . . 3.810 3.458 2.675 3.671 . 0 0 "[ . 1 . 2]" 1
1311 1 71 ASP H 1 72 CYS H . . 3.500 2.375 1.873 2.777 . 0 0 "[ . 1 . 2]" 1
1312 1 71 ASP H 1 73 GLN H . . 5.120 3.979 3.247 4.472 . 0 0 "[ . 1 . 2]" 1
1313 1 71 ASP HA 1 72 CYS HA . . 4.720 4.777 4.722 4.806 0.086 19 0 "[ . 1 . 2]" 1
1314 1 71 ASP HA 1 74 LYS H . . 3.990 3.515 3.084 3.869 . 0 0 "[ . 1 . 2]" 1
1315 1 71 ASP HA 1 74 LYS HB2 . . 3.740 3.507 2.863 3.807 0.067 3 0 "[ . 1 . 2]" 1
1316 1 71 ASP HA 1 74 LYS HD2 . . 4.890 3.872 2.812 4.442 . 0 0 "[ . 1 . 2]" 1
1317 1 71 ASP HA 1 74 LYS QE . . 4.010 3.124 1.744 4.015 0.005 9 0 "[ . 1 . 2]" 1
1318 1 71 ASP HA 1 74 LYS HG3 . . 5.180 2.523 2.135 3.297 . 0 0 "[ . 1 . 2]" 1
1319 1 71 ASP HA 1 75 ALA H . . 4.920 4.376 3.936 5.001 0.081 14 0 "[ . 1 . 2]" 1
1320 1 71 ASP HB3 1 72 CYS H . . 4.300 3.641 3.276 4.120 . 0 0 "[ . 1 . 2]" 1
1321 1 72 CYS H 1 72 CYS HB2 . . 3.500 2.875 2.147 3.588 0.088 12 0 "[ . 1 . 2]" 1
1322 1 72 CYS H 1 72 CYS HB3 . . 3.180 2.672 2.325 3.279 0.099 20 0 "[ . 1 . 2]" 1
1323 1 72 CYS H 1 73 GLN H . . 3.520 2.669 2.381 2.941 . 0 0 "[ . 1 . 2]" 1
1324 1 72 CYS H 1 73 GLN HB2 . . 5.500 4.403 4.088 4.707 . 0 0 "[ . 1 . 2]" 1
1325 1 72 CYS H 1 74 LYS HG3 . . 4.890 4.965 4.935 4.983 0.093 20 0 "[ . 1 . 2]" 1
1326 1 72 CYS HA 1 74 LYS H . . 5.350 4.021 3.538 4.563 . 0 0 "[ . 1 . 2]" 1
1327 1 72 CYS HA 1 75 ALA H . . 4.090 3.367 2.988 3.682 . 0 0 "[ . 1 . 2]" 1
1328 1 72 CYS HA 1 75 ALA MB . . 3.540 2.544 2.219 2.920 . 0 0 "[ . 1 . 2]" 1
1329 1 72 CYS HA 1 76 MET H . . 5.080 3.898 3.656 4.311 . 0 0 "[ . 1 . 2]" 1
1330 1 72 CYS HB2 1 73 GLN H . . 3.720 3.704 2.614 3.931 0.211 9 0 "[ . 1 . 2]" 1
1331 1 72 CYS HB3 1 73 GLN H . . 4.350 3.210 2.424 4.132 . 0 0 "[ . 1 . 2]" 1
1332 1 73 GLN H 1 73 GLN HB2 . . 3.320 2.152 2.021 2.276 . 0 0 "[ . 1 . 2]" 1
1333 1 73 GLN H 1 73 GLN HB3 . . 3.410 3.433 3.214 3.490 0.080 8 0 "[ . 1 . 2]" 1
1334 1 73 GLN H 1 73 GLN HE21 . . 5.500 4.072 3.234 5.235 . 0 0 "[ . 1 . 2]" 1
1335 1 73 GLN H 1 73 GLN HG3 . . 3.650 3.012 2.377 4.102 0.452 3 0 "[ . 1 . 2]" 1
1336 1 73 GLN H 1 74 LYS H . . 3.510 2.894 2.663 3.204 . 0 0 "[ . 1 . 2]" 1
1337 1 73 GLN H 1 74 LYS HA . . 5.500 5.462 5.292 5.588 0.088 14 0 "[ . 1 . 2]" 1
1338 1 73 GLN H 1 74 LYS HG2 . . 5.500 5.059 4.603 5.563 0.063 20 0 "[ . 1 . 2]" 1
1339 1 73 GLN H 1 75 ALA H . . 5.000 4.437 4.205 4.680 . 0 0 "[ . 1 . 2]" 1
1340 1 73 GLN H 1 75 ALA MB . . 5.500 4.929 4.681 5.204 . 0 0 "[ . 1 . 2]" 1
1341 1 73 GLN H 1 93 TYR QE . . 4.600 4.336 3.564 4.701 0.101 14 0 "[ . 1 . 2]" 1
1342 1 73 GLN HA 1 73 GLN HE21 . . 5.500 4.705 4.247 5.085 . 0 0 "[ . 1 . 2]" 1
1343 1 73 GLN HA 1 73 GLN HG3 . . 3.660 2.697 2.275 3.618 . 0 0 "[ . 1 . 2]" 1
1344 1 73 GLN HA 1 75 ALA H . . 5.160 4.741 4.569 4.887 . 0 0 "[ . 1 . 2]" 1
1345 1 73 GLN HA 1 76 MET H . . 3.920 3.759 3.495 3.973 0.053 11 0 "[ . 1 . 2]" 1
1346 1 73 GLN HA 1 76 MET QB . . 3.470 2.971 2.393 3.563 0.093 17 0 "[ . 1 . 2]" 1
1347 1 73 GLN HA 1 76 MET QG . . 4.940 3.596 2.356 4.999 0.059 11 0 "[ . 1 . 2]" 1
1348 1 73 GLN HA 1 77 GLN H . . 4.850 4.556 4.182 4.908 0.058 19 0 "[ . 1 . 2]" 1
1349 1 73 GLN HA 1 93 TYR QE . . 3.920 3.306 2.463 3.998 0.078 20 0 "[ . 1 . 2]" 1
1350 1 73 GLN HB2 1 73 GLN HE22 . . 5.200 4.117 3.660 5.268 0.068 12 0 "[ . 1 . 2]" 1
1351 1 74 LYS H 1 74 LYS HB2 . . 3.100 2.663 2.527 2.837 . 0 0 "[ . 1 . 2]" 1
1352 1 74 LYS H 1 74 LYS HB3 . . 3.540 3.615 3.599 3.628 0.088 14 0 "[ . 1 . 2]" 1
1353 1 74 LYS H 1 74 LYS HG2 . . 3.820 2.828 2.471 3.276 . 0 0 "[ . 1 . 2]" 1
1354 1 74 LYS H 1 74 LYS HG3 . . 3.620 2.349 2.024 2.646 . 0 0 "[ . 1 . 2]" 1
1355 1 74 LYS H 1 75 ALA MB . . 5.270 4.024 3.729 4.393 . 0 0 "[ . 1 . 2]" 1
1356 1 74 LYS H 1 76 MET H . . 5.000 3.988 3.440 4.336 . 0 0 "[ . 1 . 2]" 1
1357 1 74 LYS H 1 77 GLN H . . 5.500 5.395 4.985 5.578 0.078 14 0 "[ . 1 . 2]" 1
1358 1 74 LYS HA 1 74 LYS QE . . 5.180 4.743 4.484 5.235 0.055 17 0 "[ . 1 . 2]" 1
1359 1 74 LYS HA 1 74 LYS HG2 . . 3.460 2.641 2.494 2.842 . 0 0 "[ . 1 . 2]" 1
1360 1 74 LYS HA 1 74 LYS HG3 . . 3.770 3.566 3.204 3.788 0.018 18 0 "[ . 1 . 2]" 1
1361 1 74 LYS HA 1 76 MET H . . 5.500 4.577 4.088 4.879 . 0 0 "[ . 1 . 2]" 1
1362 1 74 LYS HB2 1 74 LYS HD2 . . 3.710 2.828 2.554 3.184 . 0 0 "[ . 1 . 2]" 1
1363 1 74 LYS HB2 1 74 LYS QE . . 4.120 3.878 2.253 4.214 0.094 19 0 "[ . 1 . 2]" 1
1364 1 74 LYS HB2 1 75 ALA H . . 3.580 2.481 2.258 2.665 . 0 0 "[ . 1 . 2]" 1
1365 1 74 LYS HB2 1 75 ALA MB . . 5.050 3.842 3.657 4.064 . 0 0 "[ . 1 . 2]" 1
1366 1 74 LYS HB3 1 75 ALA H . . 3.980 3.724 3.429 3.930 . 0 0 "[ . 1 . 2]" 1
1367 1 75 ALA H 1 75 ALA MB . . 3.100 2.205 2.144 2.243 . 0 0 "[ . 1 . 2]" 1
1368 1 75 ALA H 1 76 MET H . . 3.460 2.856 2.594 3.001 . 0 0 "[ . 1 . 2]" 1
1369 1 75 ALA H 1 77 GLN H . . 5.150 4.908 4.440 5.216 0.066 4 0 "[ . 1 . 2]" 1
1370 1 75 ALA HA 1 78 GLY H . . 3.920 3.604 3.373 3.762 . 0 0 "[ . 1 . 2]" 1
1371 1 75 ALA HA 1 78 GLY HA2 . . 5.420 5.314 4.726 5.488 0.068 4 0 "[ . 1 . 2]" 1
1372 1 75 ALA HA 1 78 GLY HA3 . . 5.120 3.634 2.994 3.896 . 0 0 "[ . 1 . 2]" 1
1373 1 75 ALA HA 1 79 LEU H . . 4.660 4.108 3.666 4.494 . 0 0 "[ . 1 . 2]" 1
1374 1 75 ALA HA 1 79 LEU MD1 . . 4.790 3.135 2.576 3.759 . 0 0 "[ . 1 . 2]" 1
1375 1 75 ALA HA 1 79 LEU HG . . 4.650 3.387 2.995 3.854 . 0 0 "[ . 1 . 2]" 1
1376 1 75 ALA MB 1 76 MET H . . 3.580 2.504 2.244 2.960 . 0 0 "[ . 1 . 2]" 1
1377 1 75 ALA MB 1 76 MET HA . . 5.020 3.773 3.450 4.152 . 0 0 "[ . 1 . 2]" 1
1378 1 75 ALA MB 1 79 LEU HG . . 5.500 3.963 3.599 4.381 . 0 0 "[ . 1 . 2]" 1
1379 1 76 MET H 1 76 MET QB . . 3.140 2.151 1.968 2.380 . 0 0 "[ . 1 . 2]" 1
1380 1 76 MET H 1 76 MET ME . . 5.180 5.028 4.412 5.288 0.108 7 0 "[ . 1 . 2]" 1
1381 1 76 MET H 1 76 MET QG . . 3.830 3.446 2.396 3.920 0.090 18 0 "[ . 1 . 2]" 1
1382 1 76 MET H 1 77 GLN H . . 3.450 3.113 2.829 3.374 . 0 0 "[ . 1 . 2]" 1
1383 1 76 MET H 1 77 GLN QB . . 5.500 5.242 4.837 5.580 0.080 6 0 "[ . 1 . 2]" 1
1384 1 76 MET H 1 78 GLY H . . 5.070 4.132 3.829 4.378 . 0 0 "[ . 1 . 2]" 1
1385 1 76 MET H 1 79 LEU H . . 5.500 4.993 4.811 5.265 . 0 0 "[ . 1 . 2]" 1
1386 1 76 MET H 1 93 TYR QE . . 5.500 5.253 4.696 5.589 0.089 11 0 "[ . 1 . 2]" 1
1387 1 76 MET HA 1 76 MET ME . . 4.170 3.718 2.931 4.098 . 0 0 "[ . 1 . 2]" 1
1388 1 76 MET HA 1 76 MET QG . . 3.610 2.951 2.083 3.594 . 0 0 "[ . 1 . 2]" 1
1389 1 76 MET HA 1 79 LEU H . . 4.710 4.081 3.721 4.741 0.031 14 0 "[ . 1 . 2]" 1
1390 1 76 MET HA 1 79 LEU HB2 . . 4.740 4.027 3.656 4.788 0.048 14 0 "[ . 1 . 2]" 1
1391 1 76 MET HA 1 79 LEU MD1 . . 5.010 4.786 4.226 5.105 0.095 14 0 "[ . 1 . 2]" 1
1392 1 76 MET HA 1 91 THR MG . . 4.200 2.686 2.198 3.175 . 0 0 "[ . 1 . 2]" 1
1393 1 76 MET QB 1 76 MET ME . . 3.150 2.599 2.046 3.293 0.143 14 0 "[ . 1 . 2]" 1
1394 1 76 MET QB 1 77 GLN H . . 3.410 2.602 2.089 3.492 0.082 15 0 "[ . 1 . 2]" 1
1395 1 76 MET QB 1 77 GLN HE21 . . 5.500 4.977 3.385 5.596 0.096 6 0 "[ . 1 . 2]" 1
1396 1 76 MET QB 1 91 THR MG . . 4.280 3.978 2.847 4.410 0.130 14 0 "[ . 1 . 2]" 1
1397 1 76 MET QB 1 93 TYR QE . . 4.460 3.571 2.755 4.081 . 0 0 "[ . 1 . 2]" 1
1398 1 76 MET ME 1 77 GLN H . . 4.940 4.826 4.430 5.044 0.104 18 0 "[ . 1 . 2]" 1
1399 1 76 MET ME 1 91 THR HA . . 4.440 4.287 3.878 4.520 0.080 5 0 "[ . 1 . 2]" 1
1400 1 76 MET ME 1 91 THR HB . . 3.410 2.451 1.991 2.935 . 0 0 "[ . 1 . 2]" 1
1401 1 76 MET ME 1 92 LYS H . . 4.010 3.488 3.075 4.058 0.048 16 0 "[ . 1 . 2]" 1
1402 1 76 MET ME 1 92 LYS HA . . 3.120 2.676 2.024 3.173 0.053 19 0 "[ . 1 . 2]" 1
1403 1 76 MET ME 1 93 TYR H . . 3.550 3.227 2.582 3.646 0.096 19 0 "[ . 1 . 2]" 1
1404 1 76 MET ME 1 93 TYR HA . . 4.660 4.055 3.072 4.579 . 0 0 "[ . 1 . 2]" 1
1405 1 76 MET ME 1 93 TYR HB2 . . 4.660 4.519 3.846 4.766 0.106 2 0 "[ . 1 . 2]" 1
1406 1 76 MET ME 1 93 TYR QD . . 3.820 3.381 2.724 3.904 0.084 6 0 "[ . 1 . 2]" 1
1407 1 76 MET ME 1 93 TYR QE . . 3.820 3.263 2.599 3.909 0.089 6 0 "[ . 1 . 2]" 1
1408 1 76 MET QG 1 77 GLN H . . 4.160 2.838 1.809 4.207 0.047 14 0 "[ . 1 . 2]" 1
1409 1 77 GLN H 1 77 GLN QB . . 2.960 2.552 2.313 2.929 . 0 0 "[ . 1 . 2]" 1
1410 1 77 GLN H 1 77 GLN HG2 . . 3.710 2.930 1.907 3.728 0.018 14 0 "[ . 1 . 2]" 1
1411 1 77 GLN H 1 77 GLN HG3 . . 3.680 2.568 2.048 3.742 0.062 15 0 "[ . 1 . 2]" 1
1412 1 77 GLN H 1 79 LEU H . . 5.300 4.209 3.817 4.494 . 0 0 "[ . 1 . 2]" 1
1413 1 77 GLN HA 1 77 GLN HE21 . . 5.500 5.014 3.644 5.386 . 0 0 "[ . 1 . 2]" 1
1414 1 77 GLN HA 1 77 GLN HG2 . . 3.750 2.880 2.434 3.769 0.019 6 0 "[ . 1 . 2]" 1
1415 1 77 GLN HA 1 77 GLN HG3 . . 3.590 3.408 2.801 3.826 0.236 15 0 "[ . 1 . 2]" 1
1416 1 77 GLN HA 1 80 THR H . . 4.540 3.417 3.012 3.758 . 0 0 "[ . 1 . 2]" 1
1417 1 77 GLN HA 1 80 THR HA . . 5.060 5.058 4.532 5.156 0.096 15 0 "[ . 1 . 2]" 1
1418 1 77 GLN HA 1 80 THR MG . . 4.350 3.835 2.427 4.387 0.037 17 0 "[ . 1 . 2]" 1
1419 1 77 GLN QB 1 78 GLY H . . 3.590 3.045 2.521 3.674 0.084 10 0 "[ . 1 . 2]" 1
1420 1 77 GLN QB 1 78 GLY HA3 . . 5.000 4.591 4.111 5.257 0.257 10 0 "[ . 1 . 2]" 1
1421 1 77 GLN QB 1 79 LEU H . . 5.060 4.758 4.428 5.092 0.032 8 0 "[ . 1 . 2]" 1
1422 1 77 GLN QB 1 80 THR MG . . 5.240 4.880 3.444 5.332 0.092 16 0 "[ . 1 . 2]" 1
1423 1 78 GLY H 1 79 LEU H . . 3.390 2.649 2.294 2.763 . 0 0 "[ . 1 . 2]" 1
1424 1 78 GLY H 1 79 LEU HB2 . . 4.710 4.719 4.288 4.785 0.075 6 0 "[ . 1 . 2]" 1
1425 1 78 GLY H 1 79 LEU HG . . 4.950 4.384 3.807 4.778 . 0 0 "[ . 1 . 2]" 1
1426 1 78 GLY H 1 80 THR H . . 4.700 4.186 3.904 4.509 . 0 0 "[ . 1 . 2]" 1
1427 1 79 LEU H 1 79 LEU HB2 . . 3.020 2.458 2.330 2.555 . 0 0 "[ . 1 . 2]" 1
1428 1 79 LEU H 1 79 LEU HB3 . . 3.690 3.668 3.584 3.737 0.047 3 0 "[ . 1 . 2]" 1
1429 1 79 LEU H 1 79 LEU MD1 . . 4.230 3.872 3.509 4.055 . 0 0 "[ . 1 . 2]" 1
1430 1 79 LEU H 1 79 LEU MD2 . . 4.090 3.902 3.681 4.148 0.058 14 0 "[ . 1 . 2]" 1
1431 1 79 LEU H 1 79 LEU HG . . 3.720 2.921 2.583 3.196 . 0 0 "[ . 1 . 2]" 1
1432 1 79 LEU H 1 80 THR H . . 3.260 2.323 2.067 2.545 . 0 0 "[ . 1 . 2]" 1
1433 1 79 LEU H 1 80 THR HB . . 4.700 4.447 4.052 4.767 0.067 13 0 "[ . 1 . 2]" 1
1434 1 79 LEU HA 1 79 LEU MD1 . . 4.310 3.880 3.857 3.916 . 0 0 "[ . 1 . 2]" 1
1435 1 79 LEU HA 1 79 LEU MD2 . . 3.020 2.164 2.028 2.249 . 0 0 "[ . 1 . 2]" 1
1436 1 79 LEU HA 1 79 LEU HG . . 3.950 3.003 2.855 3.151 . 0 0 "[ . 1 . 2]" 1
1437 1 79 LEU HA 1 82 ARG QD . . 4.190 3.861 2.958 4.266 0.076 18 0 "[ . 1 . 2]" 1
1438 1 79 LEU HB2 1 80 THR H . . 4.440 3.742 3.497 4.040 . 0 0 "[ . 1 . 2]" 1
1439 1 79 LEU HB2 1 91 THR MG . . 3.760 3.338 2.660 3.855 0.095 7 0 "[ . 1 . 2]" 1
1440 1 79 LEU HB3 1 79 LEU MD2 . . 3.480 2.341 2.220 2.443 . 0 0 "[ . 1 . 2]" 1
1441 1 79 LEU MD2 1 82 ARG H . . 5.390 4.697 4.012 5.093 . 0 0 "[ . 1 . 2]" 1
1442 1 79 LEU MD2 1 82 ARG QD . . 4.080 2.691 1.932 3.649 . 0 0 "[ . 1 . 2]" 1
1443 1 80 THR H 1 80 THR HB . . 3.120 2.382 2.234 2.516 . 0 0 "[ . 1 . 2]" 1
1444 1 80 THR H 1 80 THR MG . . 3.880 3.473 2.134 3.791 . 0 0 "[ . 1 . 2]" 1
1445 1 80 THR H 1 81 GLY H . . 4.610 4.437 3.172 4.669 0.059 19 0 "[ . 1 . 2]" 1
1446 1 80 THR H 1 91 THR MG . . 4.580 3.774 3.181 4.632 0.052 3 0 "[ . 1 . 2]" 1
1447 1 80 THR HA 1 80 THR MG . . 3.140 2.646 2.383 3.220 0.080 14 0 "[ . 1 . 2]" 1
1448 1 80 THR HA 1 81 GLY H . . 2.810 2.268 2.154 2.889 0.079 15 0 "[ . 1 . 2]" 1
1449 1 80 THR HA 1 82 ARG H . . 4.830 3.742 3.376 4.461 . 0 0 "[ . 1 . 2]" 1
1450 1 80 THR HA 1 89 VAL HB . . 4.930 4.761 4.231 5.010 0.080 7 0 "[ . 1 . 2]" 1
1451 1 80 THR HA 1 89 VAL QG . . 4.040 3.807 3.312 4.082 0.042 13 0 "[ . 1 . 2]" 1
1452 1 80 THR HA 1 90 VAL HA . . 4.520 4.084 3.324 4.607 0.087 7 0 "[ . 1 . 2]" 1
1453 1 80 THR HA 1 91 THR H . . 5.030 3.810 2.491 4.660 . 0 0 "[ . 1 . 2]" 1
1454 1 80 THR HA 1 91 THR MG . . 4.240 2.747 2.138 3.412 . 0 0 "[ . 1 . 2]" 1
1455 1 80 THR HB 1 81 GLY H . . 4.470 4.441 4.241 4.535 0.065 20 0 "[ . 1 . 2]" 1
1456 1 80 THR HB 1 91 THR MG . . 5.470 4.495 2.476 5.569 0.099 13 0 "[ . 1 . 2]" 1
1457 1 80 THR MG 1 81 GLY H . . 3.410 3.229 2.880 3.509 0.099 10 0 "[ . 1 . 2]" 1
1458 1 80 THR MG 1 81 GLY HA2 . . 5.270 4.083 3.808 4.378 . 0 0 "[ . 1 . 2]" 1
1459 1 80 THR MG 1 81 GLY HA3 . . 4.960 3.521 3.197 3.793 . 0 0 "[ . 1 . 2]" 1
1460 1 80 THR MG 1 82 ARG H . . 4.830 4.824 4.596 4.945 0.115 9 0 "[ . 1 . 2]" 1
1461 1 80 THR MG 1 90 VAL HA . . 4.310 4.055 3.314 4.408 0.098 14 0 "[ . 1 . 2]" 1
1462 1 80 THR MG 1 91 THR H . . 4.030 3.894 3.187 4.147 0.117 15 0 "[ . 1 . 2]" 1
1463 1 81 GLY H 1 82 ARG H . . 3.350 2.552 1.803 2.782 . 0 0 "[ . 1 . 2]" 1
1464 1 81 GLY H 1 82 ARG HA . . 5.210 5.156 4.482 5.298 0.088 11 0 "[ . 1 . 2]" 1
1465 1 81 GLY H 1 82 ARG QB . . 5.430 4.347 3.613 4.683 . 0 0 "[ . 1 . 2]" 1
1466 1 81 GLY H 1 89 VAL HB . . 4.240 3.475 2.787 3.926 . 0 0 "[ . 1 . 2]" 1
1467 1 81 GLY H 1 89 VAL QG . . 4.330 3.519 3.049 3.880 . 0 0 "[ . 1 . 2]" 1
1468 1 81 GLY H 1 90 VAL HA . . 4.820 3.708 2.881 4.436 . 0 0 "[ . 1 . 2]" 1
1469 1 81 GLY H 1 91 THR H . . 5.500 4.609 4.034 5.191 . 0 0 "[ . 1 . 2]" 1
1470 1 81 GLY H 1 91 THR MG . . 4.470 3.943 3.444 4.522 0.052 2 0 "[ . 1 . 2]" 1
1471 1 81 GLY HA2 1 88 VAL HB . . 4.920 4.903 4.635 4.999 0.079 12 0 "[ . 1 . 2]" 1
1472 1 81 GLY HA2 1 88 VAL QG . . 3.240 2.273 1.994 2.429 . 0 0 "[ . 1 . 2]" 1
1473 1 81 GLY HA3 1 88 VAL QG . . 3.950 3.366 2.979 3.547 . 0 0 "[ . 1 . 2]" 1
1474 1 82 ARG H 1 82 ARG QB . . 3.230 2.194 2.106 2.326 . 0 0 "[ . 1 . 2]" 1
1475 1 82 ARG H 1 82 ARG QD . . 4.940 4.281 3.643 4.689 . 0 0 "[ . 1 . 2]" 1
1476 1 82 ARG H 1 82 ARG HG2 . . 4.140 3.126 2.372 4.223 0.083 19 0 "[ . 1 . 2]" 1
1477 1 82 ARG H 1 82 ARG HG3 . . 4.060 3.610 2.564 4.124 0.064 13 0 "[ . 1 . 2]" 1
1478 1 82 ARG H 1 83 LYS H . . 4.750 4.510 4.362 4.653 . 0 0 "[ . 1 . 2]" 1
1479 1 82 ARG H 1 89 VAL H . . 4.800 3.997 3.684 4.383 . 0 0 "[ . 1 . 2]" 1
1480 1 82 ARG H 1 89 VAL HB . . 3.700 3.085 2.805 3.343 . 0 0 "[ . 1 . 2]" 1
1481 1 82 ARG H 1 89 VAL QG . . 4.400 3.682 3.396 3.946 . 0 0 "[ . 1 . 2]" 1
1482 1 82 ARG HA 1 82 ARG QD . . 3.640 2.808 1.983 3.746 0.106 15 0 "[ . 1 . 2]" 1
1483 1 82 ARG HA 1 83 LYS H . . 2.730 2.667 2.531 2.798 0.068 15 0 "[ . 1 . 2]" 1
1484 1 82 ARG HA 1 84 PHE QD . . 5.490 5.223 4.729 5.568 0.078 8 0 "[ . 1 . 2]" 1
1485 1 82 ARG HA 1 88 VAL QG . . 5.360 4.787 4.510 5.142 . 0 0 "[ . 1 . 2]" 1
1486 1 82 ARG QB 1 82 ARG QD . . 3.470 2.300 2.031 2.900 . 0 0 "[ . 1 . 2]" 1
1487 1 82 ARG QB 1 83 LYS H . . 3.870 2.141 1.921 2.697 . 0 0 "[ . 1 . 2]" 1
1488 1 82 ARG QB 1 84 PHE H . . 5.440 4.564 3.864 5.227 . 0 0 "[ . 1 . 2]" 1
1489 1 82 ARG QB 1 84 PHE QD . . 3.980 2.795 2.339 3.435 . 0 0 "[ . 1 . 2]" 1
1490 1 82 ARG QB 1 84 PHE QE . . 3.700 2.777 2.127 3.386 . 0 0 "[ . 1 . 2]" 1
1491 1 82 ARG QD 1 83 LYS H . . 3.990 3.010 1.912 3.934 . 0 0 "[ . 1 . 2]" 1
1492 1 82 ARG HG2 1 83 LYS H . . 4.920 4.028 2.351 4.915 . 0 0 "[ . 1 . 2]" 1
1493 1 83 LYS H 1 83 LYS QB . . 3.150 2.681 2.457 2.879 . 0 0 "[ . 1 . 2]" 1
1494 1 83 LYS H 1 83 LYS QD . . 4.810 3.911 2.493 4.835 0.025 16 0 "[ . 1 . 2]" 1
1495 1 83 LYS H 1 83 LYS QE . . 5.310 4.709 2.214 5.398 0.088 1 0 "[ . 1 . 2]" 1
1496 1 83 LYS H 1 83 LYS HG2 . . 4.060 4.176 3.705 4.499 0.439 8 0 "[ . 1 . 2]" 1
1497 1 83 LYS H 1 83 LYS HG3 . . 4.410 3.267 2.941 3.757 . 0 0 "[ . 1 . 2]" 1
1498 1 83 LYS H 1 84 PHE H . . 4.600 4.008 3.534 4.358 . 0 0 "[ . 1 . 2]" 1
1499 1 83 LYS H 1 89 VAL QG . . 5.500 3.862 3.606 4.121 . 0 0 "[ . 1 . 2]" 1
1500 1 83 LYS HA 1 83 LYS QD . . 4.220 3.942 3.583 4.267 0.047 17 0 "[ . 1 . 2]" 1
1501 1 83 LYS HA 1 83 LYS HG2 . . 4.130 2.898 2.474 3.703 . 0 0 "[ . 1 . 2]" 1
1502 1 83 LYS HA 1 83 LYS HG3 . . 3.900 2.982 2.394 3.461 . 0 0 "[ . 1 . 2]" 1
1503 1 83 LYS HA 1 84 PHE H . . 2.840 2.253 2.109 2.333 . 0 0 "[ . 1 . 2]" 1
1504 1 83 LYS HA 1 84 PHE HB2 . . 5.110 4.413 4.104 4.617 . 0 0 "[ . 1 . 2]" 1
1505 1 83 LYS HA 1 84 PHE QD . . 4.640 4.110 3.819 4.389 . 0 0 "[ . 1 . 2]" 1
1506 1 83 LYS HA 1 87 ARG H . . 4.770 4.133 3.505 4.826 0.056 3 0 "[ . 1 . 2]" 1
1507 1 83 LYS HA 1 88 VAL H . . 5.340 5.196 4.875 5.314 . 0 0 "[ . 1 . 2]" 1
1508 1 83 LYS HA 1 88 VAL HA . . 3.420 3.482 3.411 3.501 0.081 4 0 "[ . 1 . 2]" 1
1509 1 83 LYS HA 1 89 VAL QG . . 4.680 2.336 2.024 2.803 . 0 0 "[ . 1 . 2]" 1
1510 1 83 LYS QB 1 84 PHE H . . 3.820 3.471 2.910 3.855 0.035 17 0 "[ . 1 . 2]" 1
1511 1 83 LYS QB 1 86 ASN H . . 4.640 3.665 2.714 4.370 . 0 0 "[ . 1 . 2]" 1
1512 1 83 LYS QB 1 86 ASN HA . . 3.840 2.885 2.236 3.250 . 0 0 "[ . 1 . 2]" 1
1513 1 83 LYS QB 1 86 ASN QB . . 5.380 4.576 4.195 4.875 . 0 0 "[ . 1 . 2]" 1
1514 1 83 LYS QD 1 86 ASN HA . . 4.370 3.693 2.539 4.453 0.083 19 0 "[ . 1 . 2]" 1
1515 1 83 LYS QE 1 83 LYS HG2 . . 3.490 2.505 2.177 3.279 . 0 0 "[ . 1 . 2]" 1
1516 1 83 LYS QE 1 83 LYS HG3 . . 3.480 2.460 2.246 3.296 . 0 0 "[ . 1 . 2]" 1
1517 1 83 LYS QE 1 88 VAL QG . . 4.960 3.732 2.568 4.492 . 0 0 "[ . 1 . 2]" 1
1518 1 83 LYS HG2 1 84 PHE H . . 4.860 4.898 4.400 5.297 0.437 14 0 "[ . 1 . 2]" 1
1519 1 83 LYS HG2 1 88 VAL HA . . 5.500 3.317 2.628 4.519 . 0 0 "[ . 1 . 2]" 1
1520 1 83 LYS HG3 1 84 PHE H . . 5.500 5.087 4.581 5.469 . 0 0 "[ . 1 . 2]" 1
1521 1 83 LYS HG3 1 88 VAL HA . . 4.460 3.575 2.535 4.507 0.047 5 0 "[ . 1 . 2]" 1
1522 1 84 PHE H 1 84 PHE HB2 . . 3.830 2.298 2.035 2.483 . 0 0 "[ . 1 . 2]" 1
1523 1 84 PHE H 1 84 PHE HB3 . . 3.670 3.548 3.285 3.678 0.008 18 0 "[ . 1 . 2]" 1
1524 1 84 PHE H 1 84 PHE QD . . 3.740 3.150 2.694 3.609 . 0 0 "[ . 1 . 2]" 1
1525 1 84 PHE H 1 85 ALA H . . 4.800 2.619 2.081 3.092 . 0 0 "[ . 1 . 2]" 1
1526 1 84 PHE H 1 85 ALA MB . . 5.500 4.211 3.651 4.722 . 0 0 "[ . 1 . 2]" 1
1527 1 84 PHE H 1 87 ARG H . . 4.400 4.275 3.760 4.480 0.080 15 0 "[ . 1 . 2]" 1
1528 1 84 PHE H 1 87 ARG HB2 . . 5.260 5.328 5.255 5.347 0.087 16 0 "[ . 1 . 2]" 1
1529 1 84 PHE H 1 88 VAL HA . . 5.500 5.240 4.928 5.450 . 0 0 "[ . 1 . 2]" 1
1530 1 84 PHE H 1 89 VAL QG . . 5.120 2.084 1.823 2.440 . 0 0 "[ . 1 . 2]" 1
1531 1 84 PHE HA 1 84 PHE QD . . 3.550 2.546 2.313 2.821 . 0 0 "[ . 1 . 2]" 1
1532 1 84 PHE HA 1 85 ALA H . . 2.930 2.950 2.669 3.008 0.078 10 0 "[ . 1 . 2]" 1
1533 1 84 PHE HA 1 85 ALA HA . . 4.350 4.349 4.251 4.427 0.077 11 0 "[ . 1 . 2]" 1
1534 1 84 PHE HA 1 85 ALA MB . . 5.020 4.583 4.457 4.675 . 0 0 "[ . 1 . 2]" 1
1535 1 84 PHE HB2 1 85 ALA H . . 4.280 3.982 3.793 4.319 0.039 18 0 "[ . 1 . 2]" 1
1536 1 84 PHE HB2 1 89 VAL QG . . 4.330 2.242 2.073 2.631 . 0 0 "[ . 1 . 2]" 1
1537 1 84 PHE HB3 1 85 ALA H . . 4.790 4.260 4.159 4.413 . 0 0 "[ . 1 . 2]" 1
1538 1 84 PHE HB3 1 89 VAL QG . . 4.210 3.572 3.378 3.962 . 0 0 "[ . 1 . 2]" 1
1539 1 84 PHE QD 1 85 ALA H . . 4.520 4.576 4.494 4.606 0.086 3 0 "[ . 1 . 2]" 1
1540 1 84 PHE QD 1 89 VAL HB . . 5.000 4.350 3.932 4.986 . 0 0 "[ . 1 . 2]" 1
1541 1 84 PHE QD 1 89 VAL QG . . 3.350 2.718 2.347 3.191 . 0 0 "[ . 1 . 2]" 1
1542 1 85 ALA H 1 85 ALA HA . . 2.900 2.752 2.594 2.867 . 0 0 "[ . 1 . 2]" 1
1543 1 85 ALA H 1 85 ALA MB . . 3.530 2.988 2.874 3.126 . 0 0 "[ . 1 . 2]" 1
1544 1 85 ALA H 1 86 ASN H . . 3.960 2.844 2.496 3.405 . 0 0 "[ . 1 . 2]" 1
1545 1 85 ALA H 1 86 ASN HA . . 5.200 3.979 3.686 4.293 . 0 0 "[ . 1 . 2]" 1
1546 1 85 ALA H 1 87 ARG H . . 5.150 3.780 3.302 4.220 . 0 0 "[ . 1 . 2]" 1
1547 1 85 ALA HA 1 86 ASN QB . . 4.640 4.476 4.301 4.566 . 0 0 "[ . 1 . 2]" 1
1548 1 85 ALA HA 1 87 ARG H . . 5.190 5.197 4.940 5.270 0.080 19 0 "[ . 1 . 2]" 1
1549 1 85 ALA MB 1 86 ASN H . . 3.100 2.017 1.840 2.351 . 0 0 "[ . 1 . 2]" 1
1550 1 85 ALA MB 1 86 ASN HA . . 5.290 4.222 4.107 4.337 . 0 0 "[ . 1 . 2]" 1
1551 1 85 ALA MB 1 86 ASN QB . . 4.290 3.147 2.844 3.491 . 0 0 "[ . 1 . 2]" 1
1552 1 85 ALA MB 1 87 ARG H . . 4.170 3.184 2.542 3.687 . 0 0 "[ . 1 . 2]" 1
1553 1 86 ASN H 1 86 ASN QB . . 3.610 2.707 2.471 2.995 . 0 0 "[ . 1 . 2]" 1
1554 1 86 ASN H 1 86 ASN HD21 . . 5.500 4.740 4.099 5.379 . 0 0 "[ . 1 . 2]" 1
1555 1 86 ASN H 1 87 ARG H . . 3.430 1.853 1.716 2.213 . 0 0 "[ . 1 . 2]" 1
1556 1 86 ASN H 1 87 ARG HG2 . . 5.500 4.802 3.675 5.446 . 0 0 "[ . 1 . 2]" 1
1557 1 86 ASN HA 1 86 ASN HD22 . . 5.500 4.027 3.396 5.282 . 0 0 "[ . 1 . 2]" 1
1558 1 86 ASN QB 1 87 ARG H . . 4.680 3.238 2.843 3.875 . 0 0 "[ . 1 . 2]" 1
1559 1 87 ARG H 1 87 ARG HB2 . . 3.440 2.519 2.321 2.777 . 0 0 "[ . 1 . 2]" 1
1560 1 87 ARG H 1 87 ARG HD2 . . 5.500 4.657 4.184 5.320 . 0 0 "[ . 1 . 2]" 1
1561 1 87 ARG H 1 87 ARG HD3 . . 4.990 4.624 3.904 5.240 0.250 20 0 "[ . 1 . 2]" 1
1562 1 87 ARG H 1 87 ARG HG2 . . 3.750 3.550 2.920 3.832 0.082 13 0 "[ . 1 . 2]" 1
1563 1 87 ARG H 1 87 ARG HG3 . . 3.590 2.603 2.143 3.066 . 0 0 "[ . 1 . 2]" 1
1564 1 87 ARG HA 1 87 ARG HG2 . . 3.830 2.528 2.306 2.694 . 0 0 "[ . 1 . 2]" 1
1565 1 87 ARG HA 1 87 ARG HG3 . . 3.590 3.192 2.898 3.651 0.061 15 0 "[ . 1 . 2]" 1
1566 1 87 ARG HA 1 88 VAL H . . 2.770 2.483 2.156 2.811 0.041 1 0 "[ . 1 . 2]" 1
1567 1 87 ARG HA 1 88 VAL QG . . 4.370 3.721 3.179 4.301 . 0 0 "[ . 1 . 2]" 1
1568 1 87 ARG HB2 1 87 ARG HD2 . . 4.170 3.386 2.407 4.085 . 0 0 "[ . 1 . 2]" 1
1569 1 87 ARG HB2 1 87 ARG HD3 . . 4.040 2.839 2.405 3.698 . 0 0 "[ . 1 . 2]" 1
1570 1 87 ARG HB2 1 88 VAL H . . 4.090 3.349 2.758 3.742 . 0 0 "[ . 1 . 2]" 1
1571 1 87 ARG HB3 1 87 ARG HD3 . . 3.950 2.799 2.275 3.700 . 0 0 "[ . 1 . 2]" 1
1572 1 87 ARG HB3 1 88 VAL H . . 3.020 2.279 2.040 2.649 . 0 0 "[ . 1 . 2]" 1
1573 1 87 ARG HG2 1 88 VAL H . . 4.530 4.147 3.854 4.532 0.002 1 0 "[ . 1 . 2]" 1
1574 1 87 ARG HG3 1 88 VAL H . . 4.710 4.788 4.766 4.801 0.091 14 0 "[ . 1 . 2]" 1
1575 1 88 VAL H 1 88 VAL HB . . 2.990 2.664 2.395 2.931 . 0 0 "[ . 1 . 2]" 1
1576 1 88 VAL H 1 88 VAL QG . . 3.180 2.093 1.949 2.350 . 0 0 "[ . 1 . 2]" 1
1577 1 88 VAL HA 1 88 VAL QG . . 3.150 2.204 2.085 2.345 . 0 0 "[ . 1 . 2]" 1
1578 1 88 VAL HA 1 89 VAL H . . 2.720 2.211 2.099 2.471 . 0 0 "[ . 1 . 2]" 1
1579 1 88 VAL HA 1 89 VAL HB . . 4.390 4.403 4.243 4.469 0.079 1 0 "[ . 1 . 2]" 1
1580 1 88 VAL HA 1 89 VAL QG . . 3.920 3.596 3.231 3.891 . 0 0 "[ . 1 . 2]" 1
1581 1 88 VAL QG 1 89 VAL H . . 3.400 2.670 1.967 3.136 . 0 0 "[ . 1 . 2]" 1
1582 1 88 VAL QG 1 89 VAL HB . . 5.050 4.210 3.889 4.500 . 0 0 "[ . 1 . 2]" 1
1583 1 89 VAL H 1 89 VAL HB . . 3.190 2.348 2.229 2.566 . 0 0 "[ . 1 . 2]" 1
1584 1 89 VAL H 1 89 VAL QG . . 3.100 2.441 2.106 2.972 . 0 0 "[ . 1 . 2]" 1
1585 1 89 VAL H 1 90 VAL H . . 5.500 4.458 3.910 4.637 . 0 0 "[ . 1 . 2]" 1
1586 1 89 VAL HA 1 89 VAL QG . . 3.240 2.126 2.061 2.201 . 0 0 "[ . 1 . 2]" 1
1587 1 89 VAL HA 1 90 VAL H . . 3.020 2.191 2.066 2.472 . 0 0 "[ . 1 . 2]" 1
1588 1 89 VAL HA 1 90 VAL QG . . 3.950 3.608 3.356 3.886 . 0 0 "[ . 1 . 2]" 1
1589 1 89 VAL HB 1 90 VAL H . . 4.780 4.219 3.826 4.507 . 0 0 "[ . 1 . 2]" 1
1590 1 89 VAL QG 1 90 VAL H . . 3.560 2.626 2.035 3.415 . 0 0 "[ . 1 . 2]" 1
1591 1 90 VAL H 1 90 VAL HB . . 3.560 3.033 2.570 3.629 0.069 20 0 "[ . 1 . 2]" 1
1592 1 90 VAL H 1 90 VAL QG . . 3.460 2.476 1.895 2.965 . 0 0 "[ . 1 . 2]" 1
1593 1 90 VAL H 1 91 THR H . . 4.950 4.344 4.143 4.624 . 0 0 "[ . 1 . 2]" 1
1594 1 90 VAL HA 1 90 VAL QG . . 2.810 2.190 2.114 2.390 . 0 0 "[ . 1 . 2]" 1
1595 1 90 VAL HA 1 91 THR H . . 2.870 2.228 2.085 2.424 . 0 0 "[ . 1 . 2]" 1
1596 1 90 VAL HA 1 91 THR HA . . 5.130 4.449 4.385 4.526 . 0 0 "[ . 1 . 2]" 1
1597 1 90 VAL HB 1 91 THR H . . 4.680 3.850 2.936 4.450 . 0 0 "[ . 1 . 2]" 1
1598 1 90 VAL QG 1 91 THR H . . 3.270 2.799 1.961 3.341 0.071 4 0 "[ . 1 . 2]" 1
1599 1 90 VAL QG 1 91 THR HA . . 5.170 4.136 3.636 4.788 . 0 0 "[ . 1 . 2]" 1
1600 1 91 THR H 1 91 THR MG . . 3.380 2.880 2.519 3.181 . 0 0 "[ . 1 . 2]" 1
1601 1 91 THR HA 1 91 THR MG . . 3.350 2.316 2.216 2.420 . 0 0 "[ . 1 . 2]" 1
1602 1 91 THR HA 1 92 LYS H . . 3.000 2.319 2.226 2.432 . 0 0 "[ . 1 . 2]" 1
1603 1 91 THR HA 1 92 LYS QB . . 5.280 4.187 3.729 4.590 . 0 0 "[ . 1 . 2]" 1
1604 1 91 THR HB 1 92 LYS H . . 3.350 2.956 2.485 3.425 0.075 16 0 "[ . 1 . 2]" 1
1605 1 91 THR MG 1 92 LYS H . . 4.480 3.708 3.388 3.985 . 0 0 "[ . 1 . 2]" 1
1606 1 92 LYS H 1 92 LYS QB . . 3.880 2.731 2.530 3.263 . 0 0 "[ . 1 . 2]" 1
1607 1 92 LYS H 1 92 LYS HG2 . . 4.690 4.401 3.816 4.760 0.070 15 0 "[ . 1 . 2]" 1
1608 1 92 LYS H 1 92 LYS HG3 . . 4.520 4.095 2.680 4.773 0.253 16 0 "[ . 1 . 2]" 1
1609 1 92 LYS H 1 93 TYR H . . 5.300 4.317 4.204 4.424 . 0 0 "[ . 1 . 2]" 1
1610 1 92 LYS HA 1 93 TYR H . . 2.990 2.407 2.269 2.534 . 0 0 "[ . 1 . 2]" 1
1611 1 92 LYS HA 1 93 TYR HA . . 5.500 4.528 4.425 4.580 . 0 0 "[ . 1 . 2]" 1
1612 1 92 LYS QB 1 93 TYR H . . 3.390 2.859 2.293 3.416 0.026 11 0 "[ . 1 . 2]" 1
1613 1 92 LYS QB 1 94 CYS H . . 5.440 5.042 4.651 5.500 0.060 8 0 "[ . 1 . 2]" 1
1614 1 92 LYS HG2 1 93 TYR H . . 4.780 3.824 2.500 4.997 0.217 8 0 "[ . 1 . 2]" 1
1615 1 92 LYS HG3 1 93 TYR H . . 4.920 4.663 3.767 4.997 0.077 4 0 "[ . 1 . 2]" 1
1616 1 93 TYR H 1 93 TYR HB2 . . 3.410 2.399 2.170 2.498 . 0 0 "[ . 1 . 2]" 1
1617 1 93 TYR H 1 93 TYR HB3 . . 3.940 3.614 3.515 3.682 . 0 0 "[ . 1 . 2]" 1
1618 1 93 TYR H 1 93 TYR QD . . 3.820 3.125 2.751 3.529 . 0 0 "[ . 1 . 2]" 1
1619 1 93 TYR H 1 93 TYR QE . . 5.290 4.827 4.552 5.146 . 0 0 "[ . 1 . 2]" 1
1620 1 93 TYR HA 1 93 TYR QD . . 3.550 2.393 2.128 2.630 . 0 0 "[ . 1 . 2]" 1
1621 1 93 TYR HA 1 93 TYR QE . . 5.060 4.417 4.220 4.548 . 0 0 "[ . 1 . 2]" 1
1622 1 93 TYR HA 1 94 CYS H . . 3.140 2.310 2.149 2.504 . 0 0 "[ . 1 . 2]" 1
1623 1 93 TYR HB2 1 94 CYS H . . 4.480 3.985 3.712 4.368 . 0 0 "[ . 1 . 2]" 1
1624 1 93 TYR HB3 1 94 CYS H . . 3.880 2.872 2.568 3.465 . 0 0 "[ . 1 . 2]" 1
1625 1 93 TYR QD 1 94 CYS H . . 4.440 3.657 3.177 4.037 . 0 0 "[ . 1 . 2]" 1
1626 1 94 CYS H 1 94 CYS HB2 . . 3.860 2.616 2.212 2.900 . 0 0 "[ . 1 . 2]" 1
1627 1 94 CYS H 1 94 CYS HB3 . . 3.770 3.289 3.029 3.756 . 0 0 "[ . 1 . 2]" 1
1628 1 94 CYS HA 1 95 ASP H . . 3.050 2.793 2.477 2.947 . 0 0 "[ . 1 . 2]" 1
1629 1 94 CYS HB2 1 95 ASP H . . 4.490 3.689 3.024 4.107 . 0 0 "[ . 1 . 2]" 1
1630 1 94 CYS HB3 1 95 ASP H . . 2.950 2.270 1.927 2.874 . 0 0 "[ . 1 . 2]" 1
1631 1 95 ASP H 1 95 ASP QB . . 3.340 2.594 2.421 3.106 . 0 0 "[ . 1 . 2]" 1
1632 1 95 ASP H 1 96 PRO HD2 . . 5.490 4.947 4.824 5.221 . 0 0 "[ . 1 . 2]" 1
1633 1 95 ASP H 1 98 SER H . . 5.440 4.793 4.152 5.424 . 0 0 "[ . 1 . 2]" 1
1634 1 95 ASP HA 1 96 PRO HD2 . . 3.220 2.410 2.222 2.786 . 0 0 "[ . 1 . 2]" 1
1635 1 95 ASP HA 1 96 PRO HD3 . . 3.270 2.321 2.126 2.450 . 0 0 "[ . 1 . 2]" 1
1636 1 95 ASP HA 1 96 PRO HG2 . . 4.660 4.557 4.428 4.713 0.053 1 0 "[ . 1 . 2]" 1
1637 1 95 ASP HA 1 96 PRO HG3 . . 4.490 4.510 4.310 4.550 0.060 10 0 "[ . 1 . 2]" 1
1638 1 95 ASP HA 1 97 ASP H . . 5.140 4.136 3.942 4.368 . 0 0 "[ . 1 . 2]" 1
1639 1 95 ASP QB 1 96 PRO HD2 . . 4.340 2.594 2.432 2.760 . 0 0 "[ . 1 . 2]" 1
1640 1 95 ASP QB 1 96 PRO HD3 . . 3.670 3.709 3.468 3.758 0.088 4 0 "[ . 1 . 2]" 1
1641 1 95 ASP QB 1 96 PRO HG3 . . 5.350 5.065 4.895 5.229 . 0 0 "[ . 1 . 2]" 1
1642 1 95 ASP QB 1 97 ASP H . . 3.070 2.867 2.534 3.162 0.092 1 0 "[ . 1 . 2]" 1
1643 1 95 ASP QB 1 98 SER H . . 4.180 3.048 2.507 3.769 . 0 0 "[ . 1 . 2]" 1
1644 1 96 PRO HB3 1 97 ASP H . . 4.360 4.283 4.132 4.375 0.015 19 0 "[ . 1 . 2]" 1
1645 1 96 PRO HB3 1 100 HIS HE1 . . 4.290 4.127 3.645 4.366 0.076 18 0 "[ . 1 . 2]" 1
1646 1 96 PRO HD2 1 97 ASP H . . 4.560 2.640 2.240 2.944 . 0 0 "[ . 1 . 2]" 1
1647 1 96 PRO HD3 1 97 ASP H . . 4.250 3.841 3.586 4.007 . 0 0 "[ . 1 . 2]" 1
1648 1 96 PRO HG2 1 97 ASP H . . 3.800 2.542 2.279 2.814 . 0 0 "[ . 1 . 2]" 1
1649 1 96 PRO HG2 1 100 HIS HE1 . . 4.160 3.909 2.804 4.239 0.079 19 0 "[ . 1 . 2]" 1
1650 1 96 PRO HG3 1 97 ASP H . . 3.970 4.029 3.756 4.060 0.090 1 0 "[ . 1 . 2]" 1
1651 1 97 ASP H 1 97 ASP HB2 . . 3.180 2.186 2.006 2.418 . 0 0 "[ . 1 . 2]" 1
1652 1 97 ASP H 1 97 ASP HB3 . . 3.190 3.124 2.843 3.282 0.092 17 0 "[ . 1 . 2]" 1
1653 1 97 ASP H 1 98 SER H . . 3.140 2.852 2.698 3.043 . 0 0 "[ . 1 . 2]" 1
1654 1 97 ASP H 1 99 TYR H . . 4.500 3.954 3.759 4.331 . 0 0 "[ . 1 . 2]" 1
1655 1 97 ASP H 1 100 HIS H . . 5.280 4.952 4.755 5.147 . 0 0 "[ . 1 . 2]" 1
1656 1 97 ASP HA 1 98 SER HA . . 4.930 4.720 4.581 4.820 . 0 0 "[ . 1 . 2]" 1
1657 1 97 ASP HA 1 99 TYR H . . 5.500 4.075 3.565 4.612 . 0 0 "[ . 1 . 2]" 1
1658 1 97 ASP HA 1 100 HIS H . . 4.060 3.832 3.419 4.125 0.065 13 0 "[ . 1 . 2]" 1
1659 1 97 ASP HA 1 100 HIS QB . . 3.790 3.529 2.988 3.872 0.082 16 0 "[ . 1 . 2]" 1
1660 1 97 ASP HB2 1 98 SER H . . 3.750 3.269 2.810 3.510 . 0 0 "[ . 1 . 2]" 1
1661 1 97 ASP HB3 1 98 SER H . . 3.230 2.445 2.106 2.789 . 0 0 "[ . 1 . 2]" 1
1662 1 97 ASP HB3 1 98 SER HA . . 3.700 3.788 3.778 3.797 0.097 8 0 "[ . 1 . 2]" 1
1663 1 98 SER H 1 99 TYR H . . 3.310 2.657 2.404 2.921 . 0 0 "[ . 1 . 2]" 1
1664 1 98 SER H 1 99 TYR HA . . 5.230 5.215 5.066 5.306 0.076 5 0 "[ . 1 . 2]" 1
1665 1 98 SER H 1 100 HIS H . . 4.990 4.441 3.938 4.949 . 0 0 "[ . 1 . 2]" 1
1666 1 98 SER HA 1 100 HIS H . . 4.670 4.499 4.178 4.730 0.060 11 0 "[ . 1 . 2]" 1
1667 1 98 SER HA 1 103 ASP H . . 4.270 3.755 3.355 4.350 0.080 20 0 "[ . 1 . 2]" 1
1668 1 98 SER HA 1 103 ASP HB2 . . 3.630 3.615 2.860 3.715 0.085 13 0 "[ . 1 . 2]" 1
1669 1 98 SER HA 1 103 ASP HB3 . . 3.570 2.646 2.130 3.643 0.073 2 0 "[ . 1 . 2]" 1
1670 1 99 TYR H 1 99 TYR HB2 . . 3.320 2.622 2.280 3.187 . 0 0 "[ . 1 . 2]" 1
1671 1 99 TYR H 1 99 TYR HB3 . . 3.230 2.541 2.254 2.683 . 0 0 "[ . 1 . 2]" 1
1672 1 99 TYR H 1 99 TYR QD . . 4.260 4.226 4.100 4.331 0.071 15 0 "[ . 1 . 2]" 1
1673 1 99 TYR H 1 100 HIS H . . 3.550 2.407 1.905 2.855 . 0 0 "[ . 1 . 2]" 1
1674 1 99 TYR HA 1 99 TYR QD . . 3.510 3.017 2.421 3.267 . 0 0 "[ . 1 . 2]" 1
1675 1 99 TYR HA 1 104 PHE QD . . 4.520 4.064 3.248 4.616 0.096 13 0 "[ . 1 . 2]" 1
1676 1 99 TYR HA 1 104 PHE QE . . 3.910 2.732 2.150 3.532 . 0 0 "[ . 1 . 2]" 1
1677 1 99 TYR HA 1 104 PHE HZ . . 5.000 4.735 3.773 5.080 0.080 17 0 "[ . 1 . 2]" 1
1678 1 99 TYR HB2 1 104 PHE QE . . 5.500 5.027 4.095 5.534 0.034 16 0 "[ . 1 . 2]" 1
1679 1 99 TYR HB3 1 100 HIS H . . 3.570 2.583 2.312 2.865 . 0 0 "[ . 1 . 2]" 1
1680 1 99 TYR QD 1 100 HIS H . . 4.160 3.578 3.137 3.989 . 0 0 "[ . 1 . 2]" 1
1681 1 99 TYR QD 1 100 HIS HD2 . . 4.040 3.320 2.714 4.122 0.082 4 0 "[ . 1 . 2]" 1
1682 1 99 TYR QE 1 100 HIS HD2 . . 4.660 4.686 4.377 4.758 0.098 10 0 "[ . 1 . 2]" 1
1683 1 100 HIS H 1 100 HIS HB2 . . 3.200 2.525 2.384 2.669 . 0 0 "[ . 1 . 2]" 1
1684 1 100 HIS H 1 100 HIS QB . . 3.610 2.476 2.349 2.602 . 0 0 "[ . 1 . 2]" 1
1685 1 100 HIS H 1 100 HIS HD2 . . 4.240 3.796 3.133 4.320 0.080 13 0 "[ . 1 . 2]" 1
1686 1 100 HIS H 1 101 ARG H . . 3.470 2.739 2.524 2.948 . 0 0 "[ . 1 . 2]" 1
1687 1 100 HIS HA 1 100 HIS HD2 . . 3.500 2.588 2.268 2.924 . 0 0 "[ . 1 . 2]" 1
1688 1 100 HIS QB 1 101 ARG H . . 4.250 3.012 2.400 3.506 . 0 0 "[ . 1 . 2]" 1
1689 1 100 HIS QB 1 101 ARG HG3 . . 5.250 3.163 2.251 5.300 0.050 9 0 "[ . 1 . 2]" 1
1690 1 100 HIS HB2 1 100 HIS HE1 . . 5.330 4.806 4.675 4.891 . 0 0 "[ . 1 . 2]" 1
1691 1 100 HIS HB2 1 101 ARG H . . 3.890 3.117 2.431 3.686 . 0 0 "[ . 1 . 2]" 1
1692 1 100 HIS HB3 1 100 HIS HD2 . . 3.810 3.144 2.798 3.469 . 0 0 "[ . 1 . 2]" 1
1693 1 101 ARG H 1 101 ARG HB2 . . 4.150 2.626 2.252 3.697 . 0 0 "[ . 1 . 2]" 1
1694 1 101 ARG H 1 101 ARG HG2 . . 4.080 3.588 1.938 4.134 0.054 7 0 "[ . 1 . 2]" 1
1695 1 101 ARG H 1 101 ARG HG3 . . 4.060 3.208 2.594 4.119 0.059 17 0 "[ . 1 . 2]" 1
1696 1 101 ARG HA 1 101 ARG HG2 . . 3.770 2.560 2.271 3.694 . 0 0 "[ . 1 . 2]" 1
1697 1 101 ARG HA 1 101 ARG HG3 . . 3.910 3.367 2.914 3.963 0.053 9 0 "[ . 1 . 2]" 1
1698 1 101 ARG HB2 1 101 ARG HG3 . . 2.620 2.401 2.285 2.515 . 0 0 "[ . 1 . 2]" 1
1699 1 101 ARG HB2 1 103 ASP HB2 . . 4.630 3.247 2.627 4.146 . 0 0 "[ . 1 . 2]" 1
1700 1 101 ARG HB2 1 103 ASP HB3 . . 4.600 3.729 2.957 4.675 0.075 9 0 "[ . 1 . 2]" 1
1701 1 101 ARG HB3 1 102 ARG H . . 4.210 2.183 1.905 3.584 . 0 0 "[ . 1 . 2]" 1
1702 1 101 ARG QD 1 102 ARG H . . 5.500 4.038 3.091 4.762 . 0 0 "[ . 1 . 2]" 1
1703 1 102 ARG H 1 102 ARG HB2 . . 4.100 2.600 2.160 3.143 . 0 0 "[ . 1 . 2]" 1
1704 1 102 ARG H 1 102 ARG HB3 . . 4.100 2.974 2.528 3.748 . 0 0 "[ . 1 . 2]" 1
1705 1 102 ARG H 1 102 ARG HD3 . . 5.370 4.774 3.067 6.150 0.780 7 2 "[ . + -1 . 2]" 1
1706 1 102 ARG H 1 102 ARG QG . . 4.640 4.005 3.806 4.108 . 0 0 "[ . 1 . 2]" 1
1707 1 102 ARG H 1 103 ASP H . . 3.270 3.131 2.431 3.351 0.081 11 0 "[ . 1 . 2]" 1
1708 1 102 ARG H 1 103 ASP HB2 . . 4.620 4.027 3.451 4.462 . 0 0 "[ . 1 . 2]" 1
1709 1 102 ARG H 1 103 ASP HB3 . . 5.160 5.069 4.737 5.248 0.088 18 0 "[ . 1 . 2]" 1
1710 1 102 ARG H 1 104 PHE QE . . 5.470 5.055 4.907 5.236 . 0 0 "[ . 1 . 2]" 1
1711 1 102 ARG H 1 104 PHE HZ . . 5.270 5.200 4.986 5.347 0.077 11 0 "[ . 1 . 2]" 1
1712 1 102 ARG HA 1 102 ARG HD2 . . 4.700 3.256 2.102 4.653 . 0 0 "[ . 1 . 2]" 1
1713 1 102 ARG HA 1 102 ARG HD3 . . 4.380 3.876 2.940 4.743 0.363 3 0 "[ . 1 . 2]" 1
1714 1 102 ARG HA 1 102 ARG QG . . 3.680 2.464 2.134 2.954 . 0 0 "[ . 1 . 2]" 1
1715 1 102 ARG HA 1 104 PHE QE . . 3.660 2.787 2.392 3.031 . 0 0 "[ . 1 . 2]" 1
1716 1 102 ARG HA 1 104 PHE HZ . . 3.760 2.675 2.421 2.955 . 0 0 "[ . 1 . 2]" 1
1717 1 102 ARG HB2 1 102 ARG HD2 . . 3.840 3.019 2.249 3.708 . 0 0 "[ . 1 . 2]" 1
1718 1 102 ARG HB2 1 102 ARG HD3 . . 3.920 3.004 2.465 3.924 0.004 7 0 "[ . 1 . 2]" 1
1719 1 102 ARG HB2 1 104 PHE QE . . 4.640 4.343 3.796 4.731 0.091 6 0 "[ . 1 . 2]" 1
1720 1 102 ARG HB2 1 104 PHE HZ . . 4.580 4.621 3.828 5.302 0.722 1 3 "[+* . 1- . 2]" 1
1721 1 102 ARG HB3 1 102 ARG HD2 . . 3.460 3.233 2.427 3.780 0.320 6 0 "[ . 1 . 2]" 1
1722 1 102 ARG HB3 1 102 ARG HD3 . . 3.440 3.326 2.377 3.867 0.427 11 0 "[ . 1 . 2]" 1
1723 1 102 ARG HD2 1 104 PHE QE . . 4.090 3.332 2.398 4.253 0.163 17 0 "[ . 1 . 2]" 1
1724 1 102 ARG HD3 1 104 PHE QE . . 4.150 3.952 2.500 4.252 0.102 6 0 "[ . 1 . 2]" 1
1725 1 102 ARG QG 1 104 PHE H . . 5.500 4.454 3.427 5.315 . 0 0 "[ . 1 . 2]" 1
1726 1 102 ARG QG 1 104 PHE QE . . 4.590 2.333 1.882 3.474 . 0 0 "[ . 1 . 2]" 1
1727 1 102 ARG QG 1 104 PHE HZ . . 5.330 3.455 2.797 4.299 . 0 0 "[ . 1 . 2]" 1
1728 1 103 ASP H 1 103 ASP HB2 . . 3.220 2.787 2.347 3.138 . 0 0 "[ . 1 . 2]" 1
1729 1 103 ASP H 1 103 ASP HB3 . . 3.340 2.786 2.448 3.355 0.015 2 0 "[ . 1 . 2]" 1
1730 1 103 ASP H 1 104 PHE H . . 4.460 3.367 2.497 4.265 . 0 0 "[ . 1 . 2]" 1
1731 1 103 ASP HA 1 104 PHE H . . 2.880 2.543 2.159 2.959 0.079 8 0 "[ . 1 . 2]" 1
1732 1 103 ASP HB2 1 104 PHE H . . 4.700 4.596 4.400 4.736 0.036 5 0 "[ . 1 . 2]" 1
1733 1 103 ASP HB3 1 104 PHE H . . 4.750 4.401 4.050 4.545 . 0 0 "[ . 1 . 2]" 1
1734 1 104 PHE H 1 104 PHE HB2 . . 3.530 2.742 2.351 3.137 . 0 0 "[ . 1 . 2]" 1
1735 1 104 PHE H 1 104 PHE HB3 . . 4.050 3.668 3.491 3.939 . 0 0 "[ . 1 . 2]" 1
1736 1 104 PHE H 1 104 PHE QD . . 3.980 3.139 2.308 3.641 . 0 0 "[ . 1 . 2]" 1
1737 1 104 PHE H 1 104 PHE QE . . 5.500 4.417 3.634 4.978 . 0 0 "[ . 1 . 2]" 1
1738 1 104 PHE HA 1 104 PHE QD . . 3.180 2.553 2.124 3.253 0.073 13 0 "[ . 1 . 2]" 1
1739 1 104 PHE HA 1 105 TRP H . . 3.060 2.473 2.120 3.140 0.080 6 0 "[ . 1 . 2]" 1
1740 1 104 PHE HB2 1 105 TRP H . . 4.290 3.566 2.572 4.234 . 0 0 "[ . 1 . 2]" 1
1741 1 104 PHE HB3 1 105 TRP H . . 3.920 3.012 2.005 4.370 0.450 15 0 "[ . 1 . 2]" 1
1742 1 104 PHE QD 1 105 TRP H . . 4.760 4.432 4.098 4.737 . 0 0 "[ . 1 . 2]" 1
1743 1 105 TRP H 1 105 TRP HB2 . . 3.500 2.966 2.326 3.314 . 0 0 "[ . 1 . 2]" 1
1744 1 105 TRP H 1 105 TRP HB3 . . 3.470 3.194 2.845 3.605 0.135 16 0 "[ . 1 . 2]" 1
1745 1 105 TRP HA 1 105 TRP HD1 . . 3.820 2.622 2.182 3.388 . 0 0 "[ . 1 . 2]" 1
1746 1 105 TRP HB2 1 105 TRP HE3 . . 4.190 3.433 2.430 4.035 . 0 0 "[ . 1 . 2]" 1
1747 1 105 TRP HB3 1 105 TRP HE3 . . 4.110 2.949 2.502 3.962 . 0 0 "[ . 1 . 2]" 1
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